| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 28 | Very low | 24.6 | Very low | 236 Ų | 236 | 152.3 Ų | 152.3 | 100% | 1.163 | 83% | 0.829 | S | S | * | * | 0 | 162.2 | 0 | -89.7 | -175.9 | 168.4 | 0 | 0 | 108.8 | |||||
| 2 | E | 25.9 | Very low | 24.4 | Very low | 152 Ų | 152 | 153.4 Ų | 153.4 | 71% | 0.71 | 83% | 0.833 | S | S | * | * | trans | -58.6 | 152.8 | -167.9 | -54.3 | 122.4 | 126.5 | 0 | 0 | 113.9 | K4 | E2-K4 PolarHBondContact O-N 3.09Š| ||
| 3 | P | 28.2 | Very low | 24.3 | Very low | 125 Ų | 125 | 149.4 Ų | 149.4 | 81% | 0.812 | 83% | 0.833 | S | S | * | * | trans | -72.8 | 89.3 | 179.1 | 30.6 | -35.7 | 0 | 0 | 0 | 111.5 | T5 | P3-T5 PolarHBondContact O-N 2.95Å; P3-T5 VanDerWaalsContact O-N 3.07Å | ||
| 4 | K | 24.6 | Very low | 24.2 | Very low | 184 Ų | 184 | 145.2 Ų | 145.2 | 80% | 0.8 | 83% | 0.827 | S | S | * | * | trans | -70.7 | 101.6 | 170.4 | -76.9 | -172 | 176.4 | 178.8 | 0 | 111.1 | E2 I6 | E2-K4 PolarHBondContact O-N 3.09Å; K4-I6 PolarHBondContact O-N 3.01Å | ||
| 5 | T | 23 | Very low | 24.1 | Very low | 134 Ų | 134 | 147.7 Ų | 147.7 | 82% | 0.822 | 83% | 0.825 | S | S | * | * | trans | -64.8 | 96.6 | 170.5 | 34.4 | 0 | 0 | 0 | 0 | 111.6 | P3 | P3-T5 PolarHBondContact O-N 2.95Å; P3-T5 VanDerWaalsContact O-N 3.07Å | ||
| 6 | I | 22.8 | Very low | 24.1 | Very low | 140 Ų | 140 | 146.8 Ų | 146.8 | 72% | 0.718 | 83% | 0.827 | S | S | * | * | trans | -121.9 | 98.8 | 160.2 | -60.9 | -176.7 | 0 | 0 | 0 | 109 | K4 S8 | K4-I6 PolarHBondContact O-N 3.01Å; I6-S8 PolarHBondContact O-N 3.32Å | ||
| 7 | T | 23.4 | Very low | 24 | Very low | 145 Ų | 145 | 144.8 Ų | 144.8 | 89% | 0.89 | 82% | 0.823 | S | S | * | * | trans | -81 | 88.6 | 173.9 | 33.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 8 | S | 23 | Very low | 24 | Very low | 94 Ų | 94 | 142.7 Ų | 142.7 | 66% | 0.657 | 81% | 0.814 | S | S | * | * | trans | -148.8 | 134.1 | 165.3 | 60.6 | 0 | 0 | 0 | 0 | 113.5 | I6 | I6-S8 PolarHBondContact O-N 3.32Š| ||
| 9 | R | 22.2 | Very low | 24 | Very low | 255 Ų | 255 | 143.6 Ų | 143.6 | 96% | 0.962 | 81% | 0.812 | S | S | * | * | trans | -78.6 | 116.9 | 177.2 | -65.6 | 169 | 171.4 | 161.6 | -5.4 | 111.3 | ||||
| 10 | S | 25.3 | Very low | 23.9 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | trans | -164.3 | 78 | 151.6 | 58.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 11 | A | 23.9 | Very low | 23.9 | Very low | 94 Ų | 94 | 138.3 Ų | 138.3 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -136.8 | 105.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 12 | L | 23 | Very low | 23.8 | Very low | 166 Ų | 166 | 133 Ų | 133 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | 44.6 | 83 | 154.2 | -68.1 | 158.5 | 0 | 0 | 0 | 117.1 | A14 | L12-A14 PolarHBondContact O-N 2.93Š| ||
| 13 | A | 22.8 | Very low | 23.9 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | -63.1 | 84.9 | 147.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | K15 | A13-K15 PolarHBondContact O-N 2.71Š| ||
| 14 | A | 22.9 | Very low | 23.9 | Very low | 91 Ų | 91 | 138 Ų | 138 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | -62.5 | 100.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | L12 | L12-A14 PolarHBondContact O-N 2.93Š| ||
| 15 | K | 21.9 | Very low | 24.4 | Very low | 182 Ų | 182 | 131.8 Ų | 131.8 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -52.7 | 125.3 | -173.5 | -68.7 | 176.4 | 177.8 | 175.4 | 0 | 110.3 | A13 C17 | A13-K15 PolarHBondContact O-N 2.71Å; K15-C17 PolarHBondContact O-N 2.84Å | ||
| 16 | P | 24.9 | Very low | 24.8 | Very low | 133 Ų | 133 | 134 Ų | 134 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | -60.5 | 113.5 | 166.4 | 25.7 | -32.4 | 0 | 0 | 0 | 107.6 | V18 | P16-V18 PolarHBondContact O-N 2.86Š| ||
| 17 | C | 22 | Very low | 25.8 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | trans | -84.3 | 115.1 | -161.4 | -144.9 | 0 | 0 | 0 | 0 | 110.9 | K15 | K15-C17 PolarHBondContact O-N 2.84Š| ||
| 18 | V | 24.1 | Very low | 27.1 | Very low | 107 Ų | 107 | 130 Ų | 130 | 65% | 0.648 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 81 | 121.5 | 149.1 | 173.9 | 0 | 0 | 0 | 0 | 117.8 | P16 | P16-V18 PolarHBondContact O-N 2.86Š|
| 19 | M | 23.3 | Very low | 28.5 | Very low | 160 Ų | 160 | 127.7 Ų | 127.7 | 79% | 0.788 | 74% | 0.738 | S | S | * | * | trans | 69.5 | 66.3 | 154.1 | -65.2 | 169.4 | -172.1 | 0 | 0 | 119.7 | A21 | M19-A21 HydrophobicContact CB-CB 4.08Å; M19-A21 HydrophobicContact CG-CB 4.05Å; M19-A21 PolarHBondContact O-N 3.08Å | ||
| 20 | A | 22.5 | Very low | 30.3 | Very low | 102 Ų | 102 | 116.1 Ų | 116.1 | 84% | 0.843 | 70% | 0.698 | S | S | * | * | -75 | 73.4 | 124.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | T22 | A20-T22 PolarHBondContact O-N 3.26Å; A20-T22 VanDerWaalsContact O-N 3.08Å | |||
| 21 | A | 24.4 | Very low | 32.2 | Very low | 74 Ų | 74 | 114 Ų | 114 | 61% | 0.612 | 68% | 0.678 | S | S | * | * | trans | -79.6 | 89.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | M19 R23 | M19-A21 HydrophobicContact CB-CB 4.08Å; M19-A21 HydrophobicContact CG-CB 4.05Å; M19-A21 PolarHBondContact O-N 3.08Å; A21-R23 PolarHBondContact O-N 2.85Å | ||
| 22 | T | 26.1 | Very low | 34.3 | Very low | 125 Ų | 125 | 111.8 Ų | 111.8 | 77% | 0.767 | 65% | 0.653 | S | S | * | * | trans | -65.7 | 85.1 | 165.4 | 50.8 | 0 | 0 | 0 | 0 | 109.2 | A20 | A20-T22 PolarHBondContact O-N 3.26Å; A20-T22 VanDerWaalsContact O-N 3.08Å | ||
| 23 | R | 26.6 | Very low | 36.5 | Very low | 230 Ų | 230 | 104.3 Ų | 104.3 | 87% | 0.868 | 61% | 0.613 | S | S | * | * | trans | -110 | 93 | 167.8 | -169.2 | 173.2 | -171.5 | 169.6 | 3.5 | 107.4 | A21 G25 | A21-R23 PolarHBondContact O-N 2.85Å; R23-G25 PolarHBondContact O-N 3.07Å | ||
| 24 | D | 30 | Very low | 38.9 | Very low | 153 Ų | 153 | 102.6 Ų | 102.6 | 82% | 0.818 | 59% | 0.59 | S | S | * | * | trans | -70.5 | 67.2 | -175 | -57.9 | -72.5 | 0 | 0 | 0 | 112.6 | ||||
| 25 | G | 33.8 | Very low | 41.4 | Very low | 52 Ų | 52 | 104.8 Ų | 104.8 | 54% | 0.536 | 58% | 0.579 | S | S | . | * | trans | -117.5 | 112.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | R23 S27 | R23-G25 PolarHBondContact O-N 3.07Å; G25-S27 PolarHBondContact O-N 3.06Å | ||
| 26 | M | 32.9 | Very low | 44 | Very low | 181 Ų | 181 | 97 Ų | 97 | 89% | 0.892 | 55% | 0.546 | S | S | * | . | trans | -67.7 | 86.9 | -176.1 | -60.5 | 83.9 | 77.9 | 0 | 0 | 112.2 | ||||
| 27 | S | 42.3 | Very low | 46.3 | Very low | 50 Ų | 50 | 92.1 Ų | 92.1 | 35% | 0.35 | 52% | 0.517 | S | S | . | . | trans | -61.8 | 136.1 | 147.6 | 45.6 | 0 | 0 | 0 | 0 | 108.1 | G25 D32 | G25-S27 PolarHBondContact O-N 3.06Å; S27-D32 WeakPolarHBondContact CB-OD2 3.28Å; S27-D32 PolarHBondContact OG-OD2 2.64Å | ||
| 28 | K | 50.2 | Low | 48.9 | Very low | 151 Ų | 151 | 91.5 Ų | 91.5 | 66% | 0.657 | 51% | 0.506 | S | S | * | . | trans | -70.4 | 142.7 | 172 | -64.9 | 173.1 | 179.1 | 174.1 | 0 | 107.1 | G30 D31 | K28-G30 PolarHBondContact O-N 3.24Å; K28-D31 WeakPolarHBondContact CB-OD2 3.26Å; K28-D31 PolarHBondContact N-OD2 2.85Å; K28-D31 WeakPolarHBondContact O-CB 3.48Å; K28-D31 PolarHBondContact O-N 2.77Å | ||
| 29 | P | 52.7 | Low | 51.5 | Low | 45 Ų | 45 | 94.1 Ų | 94.1 | 29% | 0.292 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58 | -23.2 | -177.1 | 19.3 | -30.4 | 0 | 0 | 0 | 113.3 | I33 Y63 Y67 | P29-I33 VanDerWaalsContact O-CD1 3.31Å; P29-I33 WeakPolarHBondContact O-CD1 3.35Å; P29-I33 VanDerWaalsContact O-CG1 3.25Å; P29-I33 WeakPolarHBondContact O-CG1 3.45Å; P29-Y63 HydrophobicContact CB-CE1 4.16Å; P29-Y67 HydrophobicContact CB-CD1 4.47Å; P29-Y67 HydrophobicContact CB-CE1 4.4Å; P29-Y67 HydrophobicContact CG-CD1 4.45Å; P29-Y67 HydrophobicContact CG-CE1 4.38Å |
| 30 | G | 60.5 | Low | 54.1 | Low | 12 Ų | 12 | 87.1 Ų | 87.1 | 12% | 0.124 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -70.4 | -35.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | K28 D32 I33 D34 H70 | K28-G30 PolarHBondContact O-N 3.24Å; G30-D32 VanDerWaalsContact C-N 3.33Å; G30-D32 PolarHBondContact O-N 3.09Å; G30-I33 PolarHBondContact O-N 3.35Å; G30-D34 PolarHBondContact O-N 3.03Å; G30-H70 PolarHBondContact N-NE2 3.26Å |
| 31 | D | 65.3 | Low | 56.6 | Low | 72 Ų | 72 | 85.8 Ų | 85.8 | 39% | 0.385 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | -178.1 | -56.7 | -31.3 | 0 | 0 | 0 | 110.8 | K28 I33 D34 R35 | K28-D31 WeakPolarHBondContact CB-OD2 3.26Å; K28-D31 PolarHBondContact N-OD2 2.85Å; K28-D31 WeakPolarHBondContact O-CB 3.48Å; K28-D31 PolarHBondContact O-N 2.77Å; D31-I33 VanDerWaalsContact C-N 3.34Å; D31-D34 PolarHBondContact O-N 3.31Å; D31-R35 VanDerWaalsContact O-CB 3.3Å; D31-R35 WeakPolarHBondContact O-CB 3.22Å; D31-R35 WeakPolarHBondContact O-CD 3.43Å; D31-R35 WeakPolarHBondContact O-CG 3.28Å; D31-R35 PolarHBondContact O-N 2.92Å |
| 32 | D | 67.8 | Low | 59.3 | Low | 47 Ų | 47 | 88.3 Ų | 88.3 | 25% | 0.251 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -74.1 | -25.3 | 178.8 | -69.9 | -40.3 | 0 | 0 | 0 | 112.9 | S27 G30 R35 L36 | S27-D32 WeakPolarHBondContact CB-OD2 3.28Å; S27-D32 PolarHBondContact OG-OD2 2.64Å; G30-D32 VanDerWaalsContact C-N 3.33Å; G30-D32 PolarHBondContact O-N 3.09Å; D32-R35 WeakPolarHBondContact OD1-CD 3.17Å; D32-R35 IonicContact OD1-CZ 3.7Å; D32-R35 IonicContact OD1-NE 3.96Å; D32-R35 IonicContact OD1-NH1 2.71Å; D32-R35 PolarHBondContact OD1-NH1 3.36Å; D32-L36 WeakPolarHBondContact O-CB 3.14Å; D32-L36 PolarHBondContact O-N 3.06Å |
| 33 | I | 69 | Low | 61.9 | Low | 9 Ų | 9 | 82.5 Ų | 82.5 | 5% | 0.046 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -72.6 | -45.3 | 171 | -66.6 | 168.4 | 0 | 0 | 0 | 110.5 | P29 G30 D31 L36 A37 Y63 H70 L74 | P29-I33 VanDerWaalsContact O-CD1 3.31Å; P29-I33 WeakPolarHBondContact O-CD1 3.35Å; P29-I33 VanDerWaalsContact O-CG1 3.25Å; P29-I33 WeakPolarHBondContact O-CG1 3.45Å; G30-I33 PolarHBondContact O-N 3.35Å; D31-I33 VanDerWaalsContact C-N 3.34Å; I33-L36 CarbonylContact O-C 3.57Å; I33-L36 PolarHBondContact O-N 3.26Å; I33-L36 VanDerWaalsContact O-N 3.11Å; I33-A37 PolarHBondContact O-N 2.92Å; I33-Y63 HydrophobicContact CD1-CD1 4.38Å; I33-H70 HydrophobicContact CD1-CB 3.55Å; I33-H70 VanDerWaalsContact CD1-CD2 3.49Å; I33-H70 WeakPolarHBondContact CD1-CD2 3.36Å; I33-L74 HydrophobicContact CD1-CD1 3.91Å; I33-L74 HydrophobicContact CD1-CD2 3.87Å; I33-L74 HydrophobicContact CD1-CG 3.97Å; I33-L74 HydrophobicContact CG1-CD2 3.96Å; I33-L74 HydrophobicContact CG2-CD2 3.89Å; I33-L74 HydrophobicContact CG2-CG 4.35Å |
| 34 | D | 74.1 | Confident | 64.3 | Low | 65 Ų | 65 | 77.2 Ų | 77.2 | 35% | 0.348 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69.2 | -37.5 | 179.1 | -69.8 | -21 | 0 | 0 | 0 | 111.4 | G30 D31 L36 A37 L38 K73 | G30-D34 PolarHBondContact O-N 3.03Å; D31-D34 PolarHBondContact O-N 3.31Å; D34-L36 VanDerWaalsContact C-N 3.28Å; D34-L36 PolarHBondContact O-N 3.49Å; D34-A37 PolarHBondContact O-N 3.09Å; D34-L38 WeakPolarHBondContact O-CB 3.38Å; D34-L38 WeakPolarHBondContact O-CG 3.35Å; D34-L38 PolarHBondContact O-N 3.1Å; D34-K73 IonicContact OD1-NZ 2.79Å; D34-K73 PolarHBondContact OD1-NZ 3.27Å; D34-K73 IonicContact OD2-NZ 2.67Å; D34-K73 PolarHBondContact OD2-NZ 3.46Å |
| 35 | R | 75.3 | Confident | 66.6 | Low | 137 Ų | 137 | 74.6 Ų | 74.6 | 52% | 0.517 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.1 | -38.1 | 166.9 | -76.5 | 164.2 | 173.9 | 172.5 | 0.6 | 112.6 | D31 D32 R39 | D31-R35 VanDerWaalsContact O-CB 3.3Å; D31-R35 WeakPolarHBondContact O-CB 3.22Å; D31-R35 WeakPolarHBondContact O-CD 3.43Å; D31-R35 WeakPolarHBondContact O-CG 3.28Å; D31-R35 PolarHBondContact O-N 2.92Å; D32-R35 WeakPolarHBondContact OD1-CD 3.17Å; D32-R35 IonicContact OD1-CZ 3.7Å; D32-R35 IonicContact OD1-NE 3.96Å; D32-R35 IonicContact OD1-NH1 2.71Å; D32-R35 PolarHBondContact OD1-NH1 3.36Å; R35-R39 WeakPolarHBondContact O-CG 3.38Å; R35-R39 PolarHBondContact O-N 3.27Å |
| 36 | L | 75.2 | Confident | 69 | Low | 18 Ų | 18 | 74.5 Ų | 74.5 | 9% | 0.094 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -77.8 | -37.4 | -178.3 | -177.6 | 55.9 | 0 | 0 | 0 | 112.1 | D32 I33 D34 L38 R39 I40 I52 I60 | D32-L36 WeakPolarHBondContact O-CB 3.14Å; D32-L36 PolarHBondContact O-N 3.06Å; I33-L36 CarbonylContact O-C 3.57Å; I33-L36 PolarHBondContact O-N 3.26Å; I33-L36 VanDerWaalsContact O-N 3.11Å; D34-L36 VanDerWaalsContact C-N 3.28Å; D34-L36 PolarHBondContact O-N 3.49Å; L36-L38 VanDerWaalsContact C-N 3.34Å; L36-R39 PolarHBondContact O-N 2.98Å; L36-I40 HydrophobicContact CD1-CD1 4.31Å; L36-I40 HydrophobicContact CG-CD1 4.19Å; L36-I40 WeakPolarHBondContact O-CB 3.35Å; L36-I40 WeakPolarHBondContact O-CG1 3.3Å; L36-I40 PolarHBondContact O-N 3.06Å; L36-I52 HydrophobicContact CD1-CG2 4.16Å; L36-I60 HydrophobicContact CD2-CD1 3.75Å; L36-I60 HydrophobicContact CD2-CG1 3.45Å; L36-I60 VanDerWaalsContact CD2-CG1 3.45Å; L36-I60 HydrophobicContact CG-CD1 4.33Å; L36-I60 HydrophobicContact CG-CG1 4.49Å |
| 37 | A | 74.1 | Confident | 71.2 | Confident | 31 Ų | 31 | 71.7 Ų | 71.7 | 26% | 0.256 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.7 | -45.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | I33 D34 R39 I40 S41 L77 | I33-A37 PolarHBondContact O-N 2.92Å; D34-A37 PolarHBondContact O-N 3.09Å; A37-R39 PolarHBondContact O-N 3.46Å; A37-I40 PolarHBondContact O-N 3.11Å; A37-I40 VanDerWaalsContact O-N 3.16Å; A37-S41 PolarHBondContact O-N 3.4Å; A37-S41 PolarHBondContact O-OG 3.46Å; A37-L77 HydrophobicContact CB-CD1 3.94Å; A37-L77 HydrophobicContact CB-CD2 4.25Å |
| 38 | L | 77.5 | Confident | 73.1 | Confident | 101 Ų | 101 | 73.5 Ų | 73.5 | 53% | 0.529 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.5 | -41.5 | 173.6 | -77.4 | 166.9 | 0 | 0 | 0 | 112.9 | D34 L36 I40 S41 L42 | D34-L38 WeakPolarHBondContact O-CB 3.38Å; D34-L38 WeakPolarHBondContact O-CG 3.35Å; D34-L38 PolarHBondContact O-N 3.1Å; L36-L38 VanDerWaalsContact C-N 3.34Å; L38-I40 VanDerWaalsContact C-N 3.32Å; L38-I40 PolarHBondContact O-N 3.48Å; L38-S41 WeakPolarHBondContact CA-OG 3.15Å; L38-S41 PolarHBondContact O-N 2.89Å; L38-S41 PolarHBondContact O-OG 2.6Å; L38-S41 VanDerWaalsContact O-OG 3.11Å; L38-L42 VanDerWaalsContact O-CB 3.22Å; L38-L42 WeakPolarHBondContact O-CB 3.13Å; L38-L42 WeakPolarHBondContact O-CD1 3.39Å; L38-L42 WeakPolarHBondContact O-CG 3.19Å; L38-L42 PolarHBondContact O-N 3.43Å |
| 39 | R | 79 | Confident | 74.8 | Confident | 162 Ų | 162 | 66.3 Ų | 66.3 | 61% | 0.611 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.7 | -40.7 | 173.2 | -76.6 | 173.5 | 178.5 | 170.8 | 1.6 | 112 | R35 L36 A37 A43 I52 | R35-R39 WeakPolarHBondContact O-CG 3.38Å; R35-R39 PolarHBondContact O-N 3.27Å; L36-R39 PolarHBondContact O-N 2.98Å; A37-R39 PolarHBondContact O-N 3.46Å; R39-A43 WeakPolarHBondContact O-CB 3.39Å; R39-A43 PolarHBondContact O-N 2.84Å; R39-I52 HydrophobicContact CB-CD1 4.11Å; R39-I52 VanDerWaalsContact O-CD1 3.28Å; R39-I52 WeakPolarHBondContact O-CD1 3.42Å |
| 40 | I | 77.4 | Confident | 76.4 | Confident | 13 Ų | 13 | 66.8 Ų | 66.8 | 7% | 0.067 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.2 | -35.4 | 179.8 | -78.6 | 164.7 | 0 | 0 | 0 | 112.1 | L36 A37 L38 F49 I52 I60 L77 V81 R84 | L36-I40 HydrophobicContact CD1-CD1 4.31Å; L36-I40 HydrophobicContact CG-CD1 4.19Å; L36-I40 WeakPolarHBondContact O-CB 3.35Å; L36-I40 WeakPolarHBondContact O-CG1 3.3Å; L36-I40 PolarHBondContact O-N 3.06Å; A37-I40 PolarHBondContact O-N 3.11Å; A37-I40 VanDerWaalsContact O-N 3.16Å; L38-I40 VanDerWaalsContact C-N 3.32Å; L38-I40 PolarHBondContact O-N 3.48Å; I40-F49 HydrophobicContact CG2-CE2 4.1Å; I40-I52 HydrophobicContact CG1-CG2 3.92Å; I40-I60 HydrophobicContact CD1-CD1 4.16Å; I40-L77 HydrophobicContact CB-CD1 4.31Å; I40-L77 HydrophobicContact CD1-CD1 3.87Å; I40-L77 HydrophobicContact CD1-CD2 4.19Å; I40-L77 HydrophobicContact CD1-CG 4.2Å; I40-L77 HydrophobicContact CG2-CD1 4.02Å; I40-V81 HydrophobicContact CD1-CG2 3.93Å; I40-V81 HydrophobicContact CG2-CG2 4.15Å; I40-R84 PolarHBondContact O-NH1 3.17Å; I40-R84 VanDerWaalsContact O-NH1 3.16Å |
| 41 | S | 75.7 | Confident | 77.5 | Confident | 74 Ų | 74 | 72.1 Ų | 72.1 | 52% | 0.517 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -80 | -35.4 | 176.5 | 61.8 | 0 | 0 | 0 | 0 | 113.7 | A37 L38 A43 | A37-S41 PolarHBondContact O-N 3.4Å; A37-S41 PolarHBondContact O-OG 3.46Å; L38-S41 WeakPolarHBondContact CA-OG 3.15Å; L38-S41 PolarHBondContact O-N 2.89Å; L38-S41 PolarHBondContact O-OG 2.6Å; L38-S41 VanDerWaalsContact O-OG 3.11Å; S41-A43 VanDerWaalsContact C-N 3.33Å; S41-A43 PolarHBondContact O-N 2.93Å |
| 42 | L | 80.1 | Confident | 78.4 | Confident | 126 Ų | 126 | 70.2 Ų | 70.2 | 66% | 0.66 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -78 | -11 | 179.2 | -70.2 | 169.2 | 0 | 0 | 0 | 114.6 | L38 D44 | L38-L42 VanDerWaalsContact O-CB 3.22Å; L38-L42 WeakPolarHBondContact O-CB 3.13Å; L38-L42 WeakPolarHBondContact O-CD1 3.39Å; L38-L42 WeakPolarHBondContact O-CG 3.19Å; L38-L42 PolarHBondContact O-N 3.43Å; L42-D44 PolarHBondContact O-N 2.98Å |
| 43 | A | 81.1 | Confident | 79.2 | Confident | 4 Ų | 4 | 68 Ų | 68 | 3% | 0.033 | 33% | 0.334 | C | S | . | . | trans | -86.5 | 88 | 179 | 0 | 0 | 0 | 0 | 0 | 110.4 | R39 S41 Q48 F49 I52 R84 | R39-A43 WeakPolarHBondContact O-CB 3.39Å; R39-A43 PolarHBondContact O-N 2.84Å; S41-A43 VanDerWaalsContact C-N 3.33Å; S41-A43 PolarHBondContact O-N 2.93Å; A43-Q48 HydrophobicContact CB-CB 3.87Å; A43-F49 HydrophobicContact CB-CB 4.25Å; A43-I52 HydrophobicContact CB-CD1 3.54Å; A43-R84 PolarHBondContact O-NH1 2.99Å; A43-R84 PolarHBondContact O-NH2 3.36Å | ||
| 44 | D | 76.4 | Confident | 79.8 | Confident | 119 Ų | 119 | 71 Ų | 71 | 64% | 0.636 | 35% | 0.349 | S | S | * | . | trans | -69.9 | -40 | -176.2 | -63.5 | -45.4 | 0 | 0 | 0 | 112.9 | L42 R84 R88 | L42-D44 PolarHBondContact O-N 2.98Å; D44-R84 PolarHBondContact O-NH2 2.82Å; D44-R84 VanDerWaalsContact O-NH2 3.09Å; D44-R88 PolarHBondContact O-NH1 3.33Å | ||
| 45 | I | 79.2 | Confident | 80.2 | Confident | 97 Ų | 97 | 76.8 Ų | 76.8 | 50% | 0.497 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -84.6 | 141.4 | -172.6 | -53.7 | 176.6 | 0 | 0 | 0 | 110.8 | E47 Q48 F49 | I45-E47 VanDerWaalsContact C-N 3.33Å; I45-E47 HydrophobicContact CG2-CB 4.41Å; I45-E47 PolarHBondContact O-N 2.86Å; I45-Q48 HydrophobicContact CB-CG 4.13Å; I45-Q48 WeakPolarHBondContact O-CB 3.34Å; I45-Q48 PolarHBondContact O-N 2.68Å; I45-F49 PolarHBondContact O-N 2.83Å; I45-F49 VanDerWaalsContact O-N 3.09Å |
| 46 | D | 82.6 | Confident | 80.5 | Confident | 51 Ų | 51 | 70.7 Ų | 70.7 | 27% | 0.273 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -54.5 | -44.6 | -179.1 | -79.9 | 16 | 0 | 0 | 0 | 112.9 | Q48 F49 E50 R88 I91 | D46-Q48 VanDerWaalsContact C-N 3.32Å; D46-Q48 PolarHBondContact O-N 2.8Å; D46-F49 PolarHBondContact O-N 3.34Å; D46-E50 WeakPolarHBondContact O-CB 2.97Å; D46-E50 PolarHBondContact O-N 2.67Å; D46-R88 WeakPolarHBondContact OD1-CD 3.41Å; D46-R88 IonicContact OD1-CZ 2.64Å; D46-R88 IonicContact OD1-NE 3.43Å; D46-R88 IonicContact OD1-NH1 3.49Å; D46-R88 PolarHBondContact OD1-NH1 3.4Å; D46-I91 HydrophobicContact CB-CD1 3.88Å; D46-I91 HydrophobicContact CB-CG1 3.73Å; D46-I91 VanDerWaalsContact CG-CD1 3.43Å |
| 47 | E | 80.5 | Confident | 80.9 | Confident | 122 Ų | 122 | 69.9 Ų | 69.9 | 57% | 0.57 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -58.6 | -39.2 | 175.4 | -72.3 | -169.6 | -145.6 | 0 | 0 | 113.8 | I45 K51 | I45-E47 VanDerWaalsContact C-N 3.33Å; I45-E47 HydrophobicContact CG2-CB 4.41Å; I45-E47 PolarHBondContact O-N 2.86Å; E47-K51 VanDerWaalsContact O-CB 3.28Å; E47-K51 WeakPolarHBondContact O-CB 3.41Å; E47-K51 VanDerWaalsContact O-CD 3.26Å; E47-K51 WeakPolarHBondContact O-CD 3.45Å; E47-K51 WeakPolarHBondContact O-CG 3.4Å; E47-K51 PolarHBondContact O-N 2.92Å; E47-K51 IonicContact OE2-NZ 3.75Å; E47-K51 PolarHBondContact OE2-NZ 3.09Å |
| 48 | Q | 81.7 | Confident | 81.2 | Confident | 88 Ų | 88 | 69.7 Ų | 69.7 | 41% | 0.411 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.9 | -45.1 | -178.5 | -66.6 | 174.6 | -10 | 0 | 0 | 109.9 | A43 I45 D46 K51 I52 | A43-Q48 HydrophobicContact CB-CB 3.87Å; I45-Q48 HydrophobicContact CB-CG 4.13Å; I45-Q48 WeakPolarHBondContact O-CB 3.34Å; I45-Q48 PolarHBondContact O-N 2.68Å; D46-Q48 VanDerWaalsContact C-N 3.32Å; D46-Q48 PolarHBondContact O-N 2.8Å; Q48-K51 PolarHBondContact O-N 3.41Å; Q48-I52 WeakPolarHBondContact O-CD1 3.24Å; Q48-I52 WeakPolarHBondContact O-CG1 3.49Å; Q48-I52 PolarHBondContact O-N 2.8Å |
| 49 | F | 86.3 | Confident | 81.3 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64 | -40.8 | 176.9 | 179.2 | -112.1 | 0 | 0 | 0 | 111.4 | I40 A43 I45 D46 I52 L53 V81 R84 L85 I91 | I40-F49 HydrophobicContact CG2-CE2 4.1Å; A43-F49 HydrophobicContact CB-CB 4.25Å; I45-F49 PolarHBondContact O-N 2.83Å; I45-F49 VanDerWaalsContact O-N 3.09Å; D46-F49 PolarHBondContact O-N 3.34Å; F49-I52 PolarHBondContact O-N 2.91Å; F49-L53 HydrophobicContact CD1-CD1 3.95Å; F49-L53 HydrophobicContact CD1-CG 4.45Å; F49-L53 HydrophobicContact CE1-CD1 3.45Å; F49-L53 VanDerWaalsContact CE1-CD1 3.45Å; F49-L53 HydrophobicContact CE1-CG 4.14Å; F49-L53 HydrophobicContact CE2-CD1 4.34Å; F49-L53 HydrophobicContact CE2-CD2 4.24Å; F49-L53 HydrophobicContact CE2-CG 4.18Å; F49-L53 HydrophobicContact CZ-CD1 3.66Å; F49-L53 HydrophobicContact CZ-CD2 4.1Å; F49-L53 HydrophobicContact CZ-CG 3.99Å; F49-L53 WeakPolarHBondContact O-CG 3.23Å; F49-L53 PolarHBondContact O-N 3.3Å; F49-V81 HydrophobicContact CE2-CG2 4.47Å; F49-R84 HydrophobicContact CD1-CG 4.38Å; F49-R84 HydrophobicContact CE1-CB 4.32Å; F49-R84 HydrophobicContact CE1-CG 3.82Å; F49-R84 HydrophobicContact CZ-CB 4.06Å; F49-R84 HydrophobicContact CZ-CG 3.9Å; F49-L85 HydrophobicContact CE1-CD2 4.27Å; F49-L85 HydrophobicContact CE1-CG 4.27Å; F49-I91 HydrophobicContact CD1-CD1 3.65Å; F49-I91 HydrophobicContact CD1-CG2 4.18Å; F49-I91 HydrophobicContact CE1-CD1 4.2Å; F49-I91 HydrophobicContact CE1-CG2 4.44Å |
| 50 | E | 85.1 | Confident | 81.3 | Confident | 55 Ų | 55 | 62.2 Ų | 62.2 | 26% | 0.257 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.1 | -50.9 | 172.4 | -171.2 | 174 | 127.2 | 0 | 0 | 111.8 | D46 I52 L53 Q54 I91 Q92 | D46-E50 WeakPolarHBondContact O-CB 2.97Å; D46-E50 PolarHBondContact O-N 2.67Å; E50-I52 PolarHBondContact O-N 3.29Å; E50-I52 VanDerWaalsContact O-N 3.1Å; E50-L53 PolarHBondContact O-N 2.97Å; E50-Q54 HydrophobicContact CG-CG 4.02Å; E50-Q54 VanDerWaalsContact O-CG 3.24Å; E50-Q54 WeakPolarHBondContact O-CG 3.49Å; E50-Q54 PolarHBondContact O-N 2.9Å; E50-I91 HydrophobicContact CB-CG2 4.09Å; E50-I91 HydrophobicContact CG-CG2 4.34Å; E50-Q92 HydrophobicContact CG-CB 4.31Å; E50-Q92 PolarHBondContact OE2-N 3.16Å |
| 51 | K | 83.9 | Confident | 81.3 | Confident | 123 Ų | 123 | 61.7 Ų | 61.7 | 54% | 0.535 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.9 | -24.3 | 178 | -74.4 | 161.5 | -174.3 | 162.8 | 0 | 113 | E47 Q48 | E47-K51 VanDerWaalsContact O-CB 3.28Å; E47-K51 WeakPolarHBondContact O-CB 3.41Å; E47-K51 VanDerWaalsContact O-CD 3.26Å; E47-K51 WeakPolarHBondContact O-CD 3.45Å; E47-K51 WeakPolarHBondContact O-CG 3.4Å; E47-K51 PolarHBondContact O-N 2.92Å; E47-K51 IonicContact OE2-NZ 3.75Å; E47-K51 PolarHBondContact OE2-NZ 3.09Å; Q48-K51 PolarHBondContact O-N 3.41Å |
| 52 | I | 84.1 | Confident | 81.4 | Confident | 32 Ų | 32 | 62 Ų | 62 | 16% | 0.164 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -79 | -54.6 | 170.1 | -68.5 | 159.7 | 0 | 0 | 0 | 110.5 | L36 R39 I40 A43 Q48 F49 E50 Q54 K55 S56 | L36-I52 HydrophobicContact CD1-CG2 4.16Å; R39-I52 HydrophobicContact CB-CD1 4.11Å; R39-I52 VanDerWaalsContact O-CD1 3.28Å; R39-I52 WeakPolarHBondContact O-CD1 3.42Å; I40-I52 HydrophobicContact CG1-CG2 3.92Å; A43-I52 HydrophobicContact CB-CD1 3.54Å; Q48-I52 WeakPolarHBondContact O-CD1 3.24Å; Q48-I52 WeakPolarHBondContact O-CG1 3.49Å; Q48-I52 PolarHBondContact O-N 2.8Å; F49-I52 PolarHBondContact O-N 2.91Å; E50-I52 PolarHBondContact O-N 3.29Å; E50-I52 VanDerWaalsContact O-N 3.1Å; I52-Q54 VanDerWaalsContact C-N 3.32Å; I52-Q54 PolarHBondContact O-N 3.25Å; I52-K55 CarbonylContact O-C 3.58Å; I52-K55 PolarHBondContact O-N 3.06Å; I52-S56 WeakPolarHBondContact O-CB 3.25Å; I52-S56 PolarHBondContact O-N 3.11Å; I52-S56 PolarHBondContact O-OG 3.23Å; I52-S56 VanDerWaalsContact O-OG 3.11Å |
| 53 | L | 84.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -54.8 | -44.6 | -178.7 | -73.9 | -177.5 | 0 | 0 | 0 | 113.1 | F49 E50 K55 S56 L57 V81 L85 I91 | F49-L53 HydrophobicContact CD1-CD1 3.95Å; F49-L53 HydrophobicContact CD1-CG 4.45Å; F49-L53 HydrophobicContact CE1-CD1 3.45Å; F49-L53 VanDerWaalsContact CE1-CD1 3.45Å; F49-L53 HydrophobicContact CE1-CG 4.14Å; F49-L53 HydrophobicContact CE2-CD1 4.34Å; F49-L53 HydrophobicContact CE2-CD2 4.24Å; F49-L53 HydrophobicContact CE2-CG 4.18Å; F49-L53 HydrophobicContact CZ-CD1 3.66Å; F49-L53 HydrophobicContact CZ-CD2 4.1Å; F49-L53 HydrophobicContact CZ-CG 3.99Å; F49-L53 WeakPolarHBondContact O-CG 3.23Å; F49-L53 PolarHBondContact O-N 3.3Å; E50-L53 PolarHBondContact O-N 2.97Å; L53-K55 PolarHBondContact O-N 2.86Å; L53-S56 PolarHBondContact O-N 3.3Å; L53-L57 VanDerWaalsContact O-CB 3.23Å; L53-L57 WeakPolarHBondContact O-CB 3.43Å; L53-L57 PolarHBondContact O-N 2.89Å; L53-V81 HydrophobicContact CD2-CG1 3.65Å; L53-V81 HydrophobicContact CD2-CG2 4.24Å; L53-L85 HydrophobicContact CD1-CD1 4.1Å; L53-L85 HydrophobicContact CD1-CD2 3.74Å; L53-L85 HydrophobicContact CD1-CG 4.07Å; L53-I91 HydrophobicContact CD1-CG2 4.18Å |
| 54 | Q | 83.2 | Confident | 80.6 | Confident | 74 Ų | 74 | 58.4 Ų | 58.4 | 35% | 0.346 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.2 | -30.8 | 178.2 | -63.7 | -70.2 | 10.1 | 0 | 0 | 112.2 | E50 I52 P94 | E50-Q54 HydrophobicContact CG-CG 4.02Å; E50-Q54 VanDerWaalsContact O-CG 3.24Å; E50-Q54 WeakPolarHBondContact O-CG 3.49Å; E50-Q54 PolarHBondContact O-N 2.9Å; I52-Q54 VanDerWaalsContact C-N 3.32Å; I52-Q54 PolarHBondContact O-N 3.25Å; Q54-P94 VanDerWaalsContact OE1-CB 3.26Å; Q54-P94 VanDerWaalsContact OE1-N 3.1Å |
| 55 | K | 81.6 | Confident | 80.1 | Confident | 185 Ų | 185 | 54.5 Ų | 54.5 | 80% | 0.804 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -91.7 | -27.3 | 178 | -66.6 | -175.8 | 179.9 | -173.8 | 0 | 113.7 | I52 L53 | I52-K55 CarbonylContact O-C 3.58Å; I52-K55 PolarHBondContact O-N 3.06Å; L53-K55 PolarHBondContact O-N 2.86Å |
| 56 | S | 80.9 | Confident | 79.7 | Confident | 10 Ų | 10 | 56.9 Ų | 56.9 | 7% | 0.07 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -116.3 | -22 | -165.8 | 79.7 | 0 | 0 | 0 | 0 | 115.5 | I52 L53 V58 F59 I60 | I52-S56 WeakPolarHBondContact O-CB 3.25Å; I52-S56 PolarHBondContact O-N 3.11Å; I52-S56 PolarHBondContact O-OG 3.23Å; I52-S56 VanDerWaalsContact O-OG 3.11Å; L53-S56 PolarHBondContact O-N 3.3Å; S56-V58 PolarHBondContact O-N 3.11Å; S56-F59 WeakPolarHBondContact O-CB 3.31Å; S56-F59 PolarHBondContact O-N 3.16Å; S56-I60 VanDerWaalsContact O-CG1 3.25Å; S56-I60 WeakPolarHBondContact O-CG1 3.25Å; S56-I60 PolarHBondContact O-N 2.94Å |
| 57 | L | 84.7 | Confident | 79.1 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63 | -48.5 | -170.5 | -177.8 | 60.3 | 0 | 0 | 0 | 112.2 | L53 F59 I60 L61 L78 V81 V93 P94 L98 Y118 | L53-L57 VanDerWaalsContact O-CB 3.23Å; L53-L57 WeakPolarHBondContact O-CB 3.43Å; L53-L57 PolarHBondContact O-N 2.89Å; L57-F59 VanDerWaalsContact C-N 3.28Å; L57-F59 PolarHBondContact O-N 2.94Å; L57-I60 PolarHBondContact O-N 2.83Å; L57-L61 WeakPolarHBondContact O-CG 3.42Å; L57-L61 PolarHBondContact O-N 3.46Å; L57-L78 HydrophobicContact CD1-CD2 4.05Å; L57-V81 HydrophobicContact CD1-CG1 4.48Å; L57-V93 HydrophobicContact CD2-CG1 3.88Å; L57-P94 HydrophobicContact CB-CG 4.01Å; L57-P94 HydrophobicContact CD2-CG 4.13Å; L57-L98 HydrophobicContact CD2-CD1 4.22Å; L57-Y118 HydrophobicContact CD1-CD1 4.5Å; L57-Y118 HydrophobicContact CD1-CD2 4.36Å; L57-Y118 HydrophobicContact CD1-CE1 4.22Å; L57-Y118 HydrophobicContact CD1-CE2 4.08Å; L57-Y118 HydrophobicContact CD2-CD1 3.99Å; L57-Y118 HydrophobicContact CD2-CE1 4.42Å; L57-Y118 HydrophobicContact CD2-CG 4.07Å |
| 58 | V | 80.8 | Confident | 78.4 | Confident | 26 Ų | 26 | 57.7 Ų | 57.7 | 16% | 0.158 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.2 | -33.5 | 177 | -179.9 | 0 | 0 | 0 | 0 | 111.5 | S56 L61 K62 P94 E97 L98 S101 | S56-V58 PolarHBondContact O-N 3.11Å; V58-L61 PolarHBondContact O-N 3.18Å; V58-K62 PolarHBondContact O-N 2.82Å; V58-P94 HydrophobicContact CG2-CG 4.41Å; V58-E97 HydrophobicContact CG2-CB 3.83Å; V58-L98 HydrophobicContact CG2-CD2 3.95Å; V58-L98 HydrophobicContact CG2-CG 4.04Å; V58-S101 WeakPolarHBondContact CG1-OG 3.24Å |
| 59 | F | 79.3 | Confident | 77.8 | Confident | 104 Ų | 104 | 60.5 Ų | 60.5 | 46% | 0.456 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.7 | -43.9 | 175.3 | -174.8 | -92.6 | 0 | 0 | 0 | 112 | S56 L57 L61 K62 Y63 | S56-F59 WeakPolarHBondContact O-CB 3.31Å; S56-F59 PolarHBondContact O-N 3.16Å; L57-F59 VanDerWaalsContact C-N 3.28Å; L57-F59 PolarHBondContact O-N 2.94Å; F59-L61 VanDerWaalsContact C-N 3.32Å; F59-L61 PolarHBondContact O-N 2.72Å; F59-K62 PolarHBondContact O-N 2.7Å; F59-Y63 HydrophobicContact CD1-CD2 4.16Å; F59-Y63 HydrophobicContact CD1-CE2 4.32Å; F59-Y63 HydrophobicContact CD2-CE2 4.34Å; F59-Y63 AromaticContact CE1-CD2 3.83Å; F59-Y63 HydrophobicContact CE1-CD2 3.83Å; F59-Y63 AromaticContact CE1-CE2 3.61Å; F59-Y63 HydrophobicContact CE1-CE2 3.61Å; F59-Y63 HydrophobicContact CE1-CG 4.4Å; F59-Y63 AromaticContact CE1-CZ 3.98Å; F59-Y63 HydrophobicContact CE2-CD2 4.24Å; F59-Y63 AromaticContact CE2-CE2 3.63Å; F59-Y63 HydrophobicContact CE2-CE2 3.63Å; F59-Y63 AromaticContact CZ-CD2 3.88Å; F59-Y63 HydrophobicContact CZ-CD2 3.88Å; F59-Y63 AromaticContact CZ-CE2 3.22Å; F59-Y63 HydrophobicContact CZ-CE2 3.22Å; F59-Y63 AromaticContact CZ-CZ 3.6Å; F59-Y63 PolarHBondContact O-N 3.12Å |
| 60 | I | 77.7 | Confident | 77 | Confident | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.9 | -46.2 | 172.7 | -68.2 | 163.3 | 0 | 0 | 0 | 110.2 | L36 I40 S56 L57 Y63 L64 L74 L78 | L36-I60 HydrophobicContact CD2-CD1 3.75Å; L36-I60 HydrophobicContact CD2-CG1 3.45Å; L36-I60 VanDerWaalsContact CD2-CG1 3.45Å; L36-I60 HydrophobicContact CG-CD1 4.33Å; L36-I60 HydrophobicContact CG-CG1 4.49Å; I40-I60 HydrophobicContact CD1-CD1 4.16Å; S56-I60 VanDerWaalsContact O-CG1 3.25Å; S56-I60 WeakPolarHBondContact O-CG1 3.25Å; S56-I60 PolarHBondContact O-N 2.94Å; L57-I60 PolarHBondContact O-N 2.83Å; I60-Y63 PolarHBondContact O-N 2.88Å; I60-L64 WeakPolarHBondContact O-CB 3.47Å; I60-L64 PolarHBondContact O-N 3.44Å; I60-L74 HydrophobicContact CG2-CD2 4.05Å; I60-L78 HydrophobicContact CG2-CD1 4Å; I60-L78 HydrophobicContact CG2-CD2 3.66Å; I60-L78 HydrophobicContact CG2-CG 3.78Å |
| 61 | L | 77.9 | Confident | 76.4 | Confident | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 180 | -66.3 | 179.7 | 0 | 0 | 0 | 112.2 | L57 V58 F59 Y63 L64 S65 L78 L98 L111 F114 Y118 | L57-L61 WeakPolarHBondContact O-CG 3.42Å; L57-L61 PolarHBondContact O-N 3.46Å; V58-L61 PolarHBondContact O-N 3.18Å; F59-L61 VanDerWaalsContact C-N 3.32Å; F59-L61 PolarHBondContact O-N 2.72Å; L61-Y63 VanDerWaalsContact C-N 3.33Å; L61-Y63 PolarHBondContact O-N 3.26Å; L61-L64 WeakPolarHBondContact O-CB 3.07Å; L61-L64 PolarHBondContact O-N 3.43Å; L61-S65 PolarHBondContact O-N 2.92Å; L61-S65 VanDerWaalsContact O-N 3.11Å; L61-S65 PolarHBondContact O-OG 3.46Å; L61-L78 HydrophobicContact CD2-CD1 4.01Å; L61-L78 HydrophobicContact CD2-CD2 4.07Å; L61-L98 HydrophobicContact CD1-CD2 3.58Å; L61-L111 HydrophobicContact CB-CD1 4.27Å; L61-L111 HydrophobicContact CB-CG 4.26Å; L61-F114 HydrophobicContact CD1-CB 4.37Å; L61-F114 HydrophobicContact CD2-CB 3.58Å; L61-F114 HydrophobicContact CD2-CG 4.1Å; L61-Y118 HydrophobicContact CD1-CD2 4.12Å; L61-Y118 HydrophobicContact CD2-CD2 4.49Å; L61-Y118 HydrophobicContact CD2-CE2 4.22Å |
| 62 | K | 77.2 | Confident | 75.9 | Confident | 82 Ų | 82 | 65.4 Ų | 65.4 | 36% | 0.357 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.4 | -33.8 | 174.9 | -71.7 | -170.3 | 177.2 | -158.4 | 0 | 112.5 | V58 F59 S65 K66 D104 L111 | V58-K62 PolarHBondContact O-N 2.82Å; F59-K62 PolarHBondContact O-N 2.7Å; K62-S65 WeakPolarHBondContact CA-OG 3.49Å; K62-S65 PolarHBondContact O-OG 3.21Å; K62-K66 WeakPolarHBondContact O-CB 3.27Å; K62-K66 PolarHBondContact O-N 3.09Å; K62-D104 IonicContact NZ-OD2 3.61Å; K62-L111 HydrophobicContact CB-CD1 4.27Å; K62-L111 HydrophobicContact CG-CD1 3.54Å |
| 63 | Y | 74.9 | Confident | 75.4 | Confident | 49 Ų | 49 | 68.4 Ų | 68.4 | 19% | 0.192 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.1 | -42.5 | 171.2 | -94.3 | -119.2 | 0 | 0 | 0 | 112.7 | P29 I33 F59 I60 L61 S65 K66 Y67 | P29-Y63 HydrophobicContact CB-CE1 4.16Å; I33-Y63 HydrophobicContact CD1-CD1 4.38Å; F59-Y63 HydrophobicContact CD1-CD2 4.16Å; F59-Y63 HydrophobicContact CD1-CE2 4.32Å; F59-Y63 HydrophobicContact CD2-CE2 4.34Å; F59-Y63 AromaticContact CE1-CD2 3.83Å; F59-Y63 HydrophobicContact CE1-CD2 3.83Å; F59-Y63 AromaticContact CE1-CE2 3.61Å; F59-Y63 HydrophobicContact CE1-CE2 3.61Å; F59-Y63 HydrophobicContact CE1-CG 4.4Å; F59-Y63 AromaticContact CE1-CZ 3.98Å; F59-Y63 HydrophobicContact CE2-CD2 4.24Å; F59-Y63 AromaticContact CE2-CE2 3.63Å; F59-Y63 HydrophobicContact CE2-CE2 3.63Å; F59-Y63 AromaticContact CZ-CD2 3.88Å; F59-Y63 HydrophobicContact CZ-CD2 3.88Å; F59-Y63 AromaticContact CZ-CE2 3.22Å; F59-Y63 HydrophobicContact CZ-CE2 3.22Å; F59-Y63 AromaticContact CZ-CZ 3.6Å; F59-Y63 PolarHBondContact O-N 3.12Å; I60-Y63 PolarHBondContact O-N 2.88Å; L61-Y63 VanDerWaalsContact C-N 3.33Å; L61-Y63 PolarHBondContact O-N 3.26Å; Y63-S65 VanDerWaalsContact C-N 3.26Å; Y63-S65 PolarHBondContact O-N 2.97Å; Y63-K66 PolarHBondContact O-N 3.25Å; Y63-Y67 AromaticContact CD1-CD2 3.55Å; Y63-Y67 HydrophobicContact CD1-CD2 3.55Å; Y63-Y67 AromaticContact CD1-CE2 3.68Å; Y63-Y67 HydrophobicContact CD1-CE2 3.68Å; Y63-Y67 HydrophobicContact CD2-CE2 4.36Å; Y63-Y67 AromaticContact CE1-CD2 3.97Å; Y63-Y67 HydrophobicContact CE1-CD2 3.97Å; Y63-Y67 AromaticContact CE1-CE2 3.63Å; Y63-Y67 HydrophobicContact CE1-CE2 3.63Å; Y63-Y67 HydrophobicContact CE2-CE2 4.29Å; Y63-Y67 AromaticContact CG-CD2 3.94Å; Y63-Y67 HydrophobicContact CG-CD2 3.94Å; Y63-Y67 HydrophobicContact CG-CE2 4.06Å; Y63-Y67 AromaticContact CZ-CE2 3.95Å; Y63-Y67 PolarHBondContact O-N 2.83Å |
| 64 | L | 70.6 | Confident | 75.1 | Confident | 5 Ų | 5 | 68.5 Ų | 68.5 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.3 | -37 | 176.9 | -176.4 | 79.8 | 0 | 0 | 0 | 112.4 | I60 L61 R71 L74 M75 L78 F114 | I60-L64 WeakPolarHBondContact O-CB 3.47Å; I60-L64 PolarHBondContact O-N 3.44Å; L61-L64 WeakPolarHBondContact O-CB 3.07Å; L61-L64 PolarHBondContact O-N 3.43Å; L64-R71 HydrophobicContact CD1-CB 4.48Å; L64-R71 HydrophobicContact CD1-CG 3.86Å; L64-L74 HydrophobicContact CB-CD1 4.33Å; L64-L74 HydrophobicContact CD1-CB 3.5Å; L64-L74 HydrophobicContact CD1-CD1 4.35Å; L64-M75 HydrophobicContact CD1-CG 4.07Å; L64-M75 HydrophobicContact CD1-SD 4.35Å; L64-M75 HydrophobicContact CD2-SD 4.38Å; L64-L78 HydrophobicContact CD1-CD1 4.35Å; L64-L78 HydrophobicContact CD2-CD1 3.72Å; L64-L78 HydrophobicContact CG-CD1 4.49Å; L64-F114 HydrophobicContact CD2-CD2 3.58Å; L64-F114 HydrophobicContact CD2-CE2 3.53Å; L64-F114 HydrophobicContact CD2-CZ 4.45Å |
| 65 | S | 66 | Low | 74.7 | Confident | 36 Ų | 36 | 69 Ų | 69 | 25% | 0.252 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -73.8 | -23.1 | 174.8 | 50.5 | 0 | 0 | 0 | 0 | 114.3 | L61 K62 Y63 S108 | L61-S65 PolarHBondContact O-N 2.92Å; L61-S65 VanDerWaalsContact O-N 3.11Å; L61-S65 PolarHBondContact O-OG 3.46Å; K62-S65 WeakPolarHBondContact CA-OG 3.49Å; K62-S65 PolarHBondContact O-OG 3.21Å; Y63-S65 VanDerWaalsContact C-N 3.26Å; Y63-S65 PolarHBondContact O-N 2.97Å; S65-S108 WeakPolarHBondContact CB-OG 3.36Å |
| 66 | K | 70.5 | Confident | 74.6 | Confident | 147 Ų | 147 | 66.3 Ų | 66.3 | 64% | 0.639 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -104.6 | -32.1 | -169.1 | -171 | 178 | 178.8 | -168.4 | 0 | 114.6 | K62 Y63 | K62-K66 WeakPolarHBondContact O-CB 3.27Å; K62-K66 PolarHBondContact O-N 3.09Å; Y63-K66 PolarHBondContact O-N 3.25Å |
| 67 | Y | 70.5 | Confident | 74.7 | Confident | 60 Ų | 60 | 66.6 Ų | 66.6 | 24% | 0.235 | 31% | 0.307 | C | S | . | . | trans | -117.2 | 100.6 | -173.9 | -62.1 | -79.6 | 0 | 0 | 0 | 111.2 | P29 Y63 D69 H70 R71 | P29-Y67 HydrophobicContact CB-CD1 4.47Å; P29-Y67 HydrophobicContact CB-CE1 4.4Å; P29-Y67 HydrophobicContact CG-CD1 4.45Å; P29-Y67 HydrophobicContact CG-CE1 4.38Å; Y63-Y67 AromaticContact CD1-CD2 3.55Å; Y63-Y67 HydrophobicContact CD1-CD2 3.55Å; Y63-Y67 AromaticContact CD1-CE2 3.68Å; Y63-Y67 HydrophobicContact CD1-CE2 3.68Å; Y63-Y67 HydrophobicContact CD2-CE2 4.36Å; Y63-Y67 AromaticContact CE1-CD2 3.97Å; Y63-Y67 HydrophobicContact CE1-CD2 3.97Å; Y63-Y67 AromaticContact CE1-CE2 3.63Å; Y63-Y67 HydrophobicContact CE1-CE2 3.63Å; Y63-Y67 HydrophobicContact CE2-CE2 4.29Å; Y63-Y67 AromaticContact CG-CD2 3.94Å; Y63-Y67 HydrophobicContact CG-CD2 3.94Å; Y63-Y67 HydrophobicContact CG-CE2 4.06Å; Y63-Y67 AromaticContact CZ-CE2 3.95Å; Y63-Y67 PolarHBondContact O-N 2.83Å; Y67-D69 PolarHBondContact O-N 3.06Å; Y67-H70 PolarHBondContact O-N 3.21Å; Y67-R71 PolarHBondContact O-N 2.91Å | ||
| 68 | E | 64.5 | Low | 74.5 | Confident | 131 Ų | 131 | 66.7 Ų | 66.7 | 61% | 0.612 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -63.2 | -41.8 | -178.3 | -54.7 | -129.2 | 121.1 | 0 | 0 | 111.9 | H70 R71 | E68-H70 PolarHBondContact O-N 3.48Å; E68-R71 VanDerWaalsContact CD-NH1 3.32Å; E68-R71 WeakPolarHBondContact O-CB 3.49Å; E68-R71 PolarHBondContact O-N 3.25Å; E68-R71 IonicContact OE1-CZ 2.75Å; E68-R71 IonicContact OE1-NH1 3.18Å; E68-R71 PolarHBondContact OE1-NH1 3.06Å; E68-R71 IonicContact OE1-NH2 3.43Å; E68-R71 PolarHBondContact OE1-NH2 2.89Å; E68-R71 IonicContact OE2-NH1 2.72Å |
| 69 | D | 69.7 | Low | 74.6 | Confident | 146 Ų | 146 | 67 Ų | 67 | 78% | 0.781 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -57.3 | -24.5 | -177.6 | -49.9 | -51.2 | 0 | 0 | 0 | 113.9 | Y67 | Y67-D69 PolarHBondContact O-N 3.06Š|
| 70 | H | 69.5 | Low | 74.7 | Confident | 37 Ų | 37 | 65.6 Ų | 65.6 | 17% | 0.171 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -106.1 | -3.3 | -178.2 | -58.3 | -23.3 | 0 | 0 | 0 | 112.8 | G30 I33 Y67 E68 K72 K73 L74 | G30-H70 PolarHBondContact N-NE2 3.26Å; I33-H70 HydrophobicContact CD1-CB 3.55Å; I33-H70 VanDerWaalsContact CD1-CD2 3.49Å; I33-H70 WeakPolarHBondContact CD1-CD2 3.36Å; Y67-H70 PolarHBondContact O-N 3.21Å; E68-H70 PolarHBondContact O-N 3.48Å; H70-K72 VanDerWaalsContact C-N 3.27Å; H70-K72 PolarHBondContact O-N 3.25Å; H70-K73 PolarHBondContact O-N 3.29Å; H70-L74 HydrophobicContact CB-CD1 3.9Å; H70-L74 HydrophobicContact CB-CG 4.35Å; H70-L74 WeakPolarHBondContact O-CB 3.39Å; H70-L74 WeakPolarHBondContact O-CG 3.36Å; H70-L74 PolarHBondContact O-N 3.36Å |
| 71 | R | 72.6 | Confident | 75 | Confident | 68 Ų | 68 | 65.5 Ų | 65.5 | 26% | 0.257 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56.3 | -37.4 | -173.7 | -172 | 176.4 | -70.2 | 145.7 | -1.5 | 112.9 | L64 Y67 E68 M75 | L64-R71 HydrophobicContact CD1-CB 4.48Å; L64-R71 HydrophobicContact CD1-CG 3.86Å; Y67-R71 PolarHBondContact O-N 2.91Å; E68-R71 VanDerWaalsContact CD-NH1 3.32Å; E68-R71 WeakPolarHBondContact O-CB 3.49Å; E68-R71 PolarHBondContact O-N 3.25Å; E68-R71 IonicContact OE1-CZ 2.75Å; E68-R71 IonicContact OE1-NH1 3.18Å; E68-R71 PolarHBondContact OE1-NH1 3.06Å; E68-R71 IonicContact OE1-NH2 3.43Å; E68-R71 PolarHBondContact OE1-NH2 2.89Å; E68-R71 IonicContact OE2-NH1 2.72Å; R71-M75 HydrophobicContact CG-CG 4.47Å; R71-M75 VanDerWaalsContact O-CB 3.31Å; R71-M75 WeakPolarHBondContact O-CB 3.48Å; R71-M75 WeakPolarHBondContact O-CG 3.45Å; R71-M75 PolarHBondContact O-N 2.78Å |
| 72 | K | 73.7 | Confident | 75.3 | Confident | 176 Ų | 176 | 66.3 Ų | 66.3 | 77% | 0.765 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -66 | -51.4 | 177.3 | -171.5 | 177.6 | 177.2 | -175.2 | 0 | 112.4 | H70 L74 M75 E76 | H70-K72 VanDerWaalsContact C-N 3.27Å; H70-K72 PolarHBondContact O-N 3.25Å; K72-L74 VanDerWaalsContact C-N 3.32Å; K72-L74 PolarHBondContact O-N 3.47Å; K72-M75 PolarHBondContact O-N 3.32Å; K72-E76 PolarHBondContact O-N 3.48Å |
| 73 | K | 74.2 | Confident | 75.5 | Confident | 96 Ų | 96 | 69.9 Ų | 69.9 | 42% | 0.417 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.5 | -44.3 | 174.8 | -81.2 | -169.4 | 170 | -168.8 | 0 | 111.8 | D34 H70 E76 L77 | D34-K73 IonicContact OD1-NZ 2.79Å; D34-K73 PolarHBondContact OD1-NZ 3.27Å; D34-K73 IonicContact OD2-NZ 2.67Å; D34-K73 PolarHBondContact OD2-NZ 3.46Å; H70-K73 PolarHBondContact O-N 3.29Å; K73-E76 PolarHBondContact O-N 2.84Å; K73-L77 WeakPolarHBondContact O-CB 3.29Å; K73-L77 PolarHBondContact O-N 2.94Å |
| 74 | L | 76.5 | Confident | 76 | Confident | 2 Ų | 2 | 69.7 Ų | 69.7 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.6 | -38.4 | -179.7 | -70.9 | 166.2 | 0 | 0 | 0 | 112.1 | I33 I60 L64 H70 K72 L78 | I33-L74 HydrophobicContact CD1-CD1 3.91Å; I33-L74 HydrophobicContact CD1-CD2 3.87Å; I33-L74 HydrophobicContact CD1-CG 3.97Å; I33-L74 HydrophobicContact CG1-CD2 3.96Å; I33-L74 HydrophobicContact CG2-CD2 3.89Å; I33-L74 HydrophobicContact CG2-CG 4.35Å; I60-L74 HydrophobicContact CG2-CD2 4.05Å; L64-L74 HydrophobicContact CB-CD1 4.33Å; L64-L74 HydrophobicContact CD1-CB 3.5Å; L64-L74 HydrophobicContact CD1-CD1 4.35Å; H70-L74 HydrophobicContact CB-CD1 3.9Å; H70-L74 HydrophobicContact CB-CG 4.35Å; H70-L74 WeakPolarHBondContact O-CB 3.39Å; H70-L74 WeakPolarHBondContact O-CG 3.36Å; H70-L74 PolarHBondContact O-N 3.36Å; K72-L74 VanDerWaalsContact C-N 3.32Å; K72-L74 PolarHBondContact O-N 3.47Å; L74-L78 VanDerWaalsContact O-CB 3.28Å; L74-L78 WeakPolarHBondContact O-CB 3.34Å; L74-L78 WeakPolarHBondContact O-CD1 3.32Å; L74-L78 WeakPolarHBondContact O-CG 3.12Å; L74-L78 PolarHBondContact O-N 3.45Å |
| 75 | M | 76.3 | Confident | 76.6 | Confident | 83 Ų | 83 | 69.5 Ų | 69.5 | 41% | 0.409 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 173.2 | -80.9 | -63.8 | -60.5 | 0 | 0 | 112.7 | L64 R71 K72 G79 F114 | L64-M75 HydrophobicContact CD1-CG 4.07Å; L64-M75 HydrophobicContact CD1-SD 4.35Å; L64-M75 HydrophobicContact CD2-SD 4.38Å; R71-M75 HydrophobicContact CG-CG 4.47Å; R71-M75 VanDerWaalsContact O-CB 3.31Å; R71-M75 WeakPolarHBondContact O-CB 3.48Å; R71-M75 WeakPolarHBondContact O-CG 3.45Å; R71-M75 PolarHBondContact O-N 2.78Å; K72-M75 PolarHBondContact O-N 3.32Å; M75-G79 PolarHBondContact O-N 2.99Å; M75-F114 HydrophobicContact CE-CZ 3.87Å; M75-F114 HydrophobicContact SD-CE1 4.39Å; M75-F114 HydrophobicContact SD-CE2 3.87Å; M75-F114 HydrophobicContact SD-CZ 3.44Å; M75-F114 WeakPolarHBondContact SD-CZ 3.42Å |
| 76 | E | 79.6 | Confident | 77.4 | Confident | 129 Ų | 129 | 74.9 Ų | 74.9 | 60% | 0.603 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -64.7 | -48.7 | 176.6 | -170.5 | 163.5 | -157.3 | 0 | 0 | 110.8 | K72 K73 L78 G79 D80 | K72-E76 PolarHBondContact O-N 3.48Å; K73-E76 PolarHBondContact O-N 2.84Å; E76-L78 PolarHBondContact O-N 3.35Å; E76-G79 WeakPolarHBondContact O-CA 3.39Å; E76-G79 PolarHBondContact O-N 3.39Å; E76-D80 PolarHBondContact O-N 3.07Å |
| 77 | L | 81.6 | Confident | 77.9 | Confident | 17 Ų | 17 | 72.6 Ų | 72.6 | 9% | 0.089 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 174.2 | -178.2 | 61.9 | 0 | 0 | 0 | 112.9 | A37 I40 K73 G79 D80 V81 | A37-L77 HydrophobicContact CB-CD1 3.94Å; A37-L77 HydrophobicContact CB-CD2 4.25Å; I40-L77 HydrophobicContact CB-CD1 4.31Å; I40-L77 HydrophobicContact CD1-CD1 3.87Å; I40-L77 HydrophobicContact CD1-CD2 4.19Å; I40-L77 HydrophobicContact CD1-CG 4.2Å; I40-L77 HydrophobicContact CG2-CD1 4.02Å; K73-L77 WeakPolarHBondContact O-CB 3.29Å; K73-L77 PolarHBondContact O-N 2.94Å; L77-G79 VanDerWaalsContact C-N 3.28Å; L77-G79 PolarHBondContact O-N 3.13Å; L77-D80 PolarHBondContact O-N 2.98Å; L77-V81 WeakPolarHBondContact O-CB 3.36Å; L77-V81 WeakPolarHBondContact O-CG2 3.4Å; L77-V81 PolarHBondContact O-N 3.34Å |
| 78 | L | 82 | Confident | 78.5 | Confident | 3 Ų | 3 | 73.8 Ų | 73.8 | 2% | 0.016 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.5 | -31.4 | 174.2 | -75.1 | 166.1 | 0 | 0 | 0 | 112 | L57 I60 L61 L64 L74 E76 T82 Y118 | L57-L78 HydrophobicContact CD1-CD2 4.05Å; I60-L78 HydrophobicContact CG2-CD1 4Å; I60-L78 HydrophobicContact CG2-CD2 3.66Å; I60-L78 HydrophobicContact CG2-CG 3.78Å; L61-L78 HydrophobicContact CD2-CD1 4.01Å; L61-L78 HydrophobicContact CD2-CD2 4.07Å; L64-L78 HydrophobicContact CD1-CD1 4.35Å; L64-L78 HydrophobicContact CD2-CD1 3.72Å; L64-L78 HydrophobicContact CG-CD1 4.49Å; L74-L78 VanDerWaalsContact O-CB 3.28Å; L74-L78 WeakPolarHBondContact O-CB 3.34Å; L74-L78 WeakPolarHBondContact O-CD1 3.32Å; L74-L78 WeakPolarHBondContact O-CG 3.12Å; L74-L78 PolarHBondContact O-N 3.45Å; E76-L78 PolarHBondContact O-N 3.35Å; L78-T82 VanDerWaalsContact O-CB 3.24Å; L78-T82 WeakPolarHBondContact O-CB 3.46Å; L78-T82 PolarHBondContact O-N 2.77Å; L78-T82 PolarHBondContact O-OG1 2.98Å; L78-Y118 HydrophobicContact CD2-CE2 3.93Å; L78-Y118 VanDerWaalsContact CD2-OH 3.26Å; L78-Y118 WeakPolarHBondContact CD2-OH 3.28Å; L78-Y118 PolarHBondContact O-OH 2.75Å |
| 79 | G | 81 | Confident | 79 | Confident | 32 Ų | 32 | 71.6 Ų | 71.6 | 33% | 0.33 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.2 | -48.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | M75 E76 L77 T82 R83 | M75-G79 PolarHBondContact O-N 2.99Å; E76-G79 WeakPolarHBondContact O-CA 3.39Å; E76-G79 PolarHBondContact O-N 3.39Å; L77-G79 VanDerWaalsContact C-N 3.28Å; L77-G79 PolarHBondContact O-N 3.13Å; G79-T82 PolarHBondContact O-N 3.05Å; G79-R83 WeakPolarHBondContact O-CB 3.36Å; G79-R83 PolarHBondContact O-N 3.4Å |
| 80 | D | 81.6 | Confident | 79.5 | Confident | 74 Ų | 74 | 70.8 Ų | 70.8 | 40% | 0.396 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -73.2 | -36.2 | 178.6 | -75.3 | -26.6 | 0 | 0 | 0 | 113.7 | E76 L77 T82 R83 R84 | E76-D80 PolarHBondContact O-N 3.07Å; L77-D80 PolarHBondContact O-N 2.98Å; D80-T82 VanDerWaalsContact C-N 3.32Å; D80-T82 PolarHBondContact O-N 3.3Å; D80-R83 WeakPolarHBondContact O-CB 3.4Å; D80-R83 PolarHBondContact O-N 3.42Å; D80-R83 IonicContact OD1-CZ 2.72Å; D80-R83 IonicContact OD1-NE 3.93Å; D80-R83 PolarHBondContact OD1-NE 3.28Å; D80-R83 IonicContact OD1-NH2 2.7Å; D80-R83 PolarHBondContact OD1-NH2 3.3Å; D80-R84 VanDerWaalsContact O-CB 3.27Å; D80-R84 WeakPolarHBondContact O-CB 3.46Å; D80-R84 PolarHBondContact O-N 2.93Å |
| 81 | V | 84.9 | Confident | 80.3 | Confident | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.006 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.3 | -46.1 | 167.6 | 163.8 | 0 | 0 | 0 | 0 | 110.6 | I40 F49 L53 L57 L77 R84 L85 Y118 | I40-V81 HydrophobicContact CD1-CG2 3.93Å; I40-V81 HydrophobicContact CG2-CG2 4.15Å; F49-V81 HydrophobicContact CE2-CG2 4.47Å; L53-V81 HydrophobicContact CD2-CG1 3.65Å; L53-V81 HydrophobicContact CD2-CG2 4.24Å; L57-V81 HydrophobicContact CD1-CG1 4.48Å; L77-V81 WeakPolarHBondContact O-CB 3.36Å; L77-V81 WeakPolarHBondContact O-CG2 3.4Å; L77-V81 PolarHBondContact O-N 3.34Å; V81-R84 PolarHBondContact O-N 2.92Å; V81-L85 HydrophobicContact CG1-CD1 3.89Å; V81-L85 WeakPolarHBondContact O-CB 3.37Å; V81-L85 WeakPolarHBondContact O-CG 3.4Å; V81-L85 PolarHBondContact O-N 2.93Å; V81-Y118 HydrophobicContact CG1-CE1 4.34Å |
| 82 | T | 83.9 | Confident | 80.9 | Confident | 19 Ų | 19 | 67.7 Ų | 67.7 | 12% | 0.117 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 177 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | L78 G79 D80 K86 M117 Y118 | L78-T82 VanDerWaalsContact O-CB 3.24Å; L78-T82 WeakPolarHBondContact O-CB 3.46Å; L78-T82 PolarHBondContact O-N 2.77Å; L78-T82 PolarHBondContact O-OG1 2.98Å; G79-T82 PolarHBondContact O-N 3.05Å; D80-T82 VanDerWaalsContact C-N 3.32Å; D80-T82 PolarHBondContact O-N 3.3Å; T82-K86 HydrophobicContact CG2-CD 4.14Å; T82-K86 WeakPolarHBondContact O-CB 3.04Å; T82-K86 VanDerWaalsContact O-CG 3.3Å; T82-K86 WeakPolarHBondContact O-CG 3.4Å; T82-K86 PolarHBondContact O-N 3.04Å; T82-M117 HydrophobicContact CG2-CE 4.37Å; T82-Y118 PolarHBondContact OG1-OH 3.14Å |
| 83 | R | 82.5 | Confident | 81.5 | Confident | 156 Ų | 156 | 59.4 Ų | 59.4 | 59% | 0.589 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -59.3 | -48.2 | 176.3 | -161.8 | -166.3 | -45.7 | -89.1 | 3.2 | 110.6 | G79 D80 K86 C87 | G79-R83 WeakPolarHBondContact O-CB 3.36Å; G79-R83 PolarHBondContact O-N 3.4Å; D80-R83 WeakPolarHBondContact O-CB 3.4Å; D80-R83 PolarHBondContact O-N 3.42Å; D80-R83 IonicContact OD1-CZ 2.72Å; D80-R83 IonicContact OD1-NE 3.93Å; D80-R83 PolarHBondContact OD1-NE 3.28Å; D80-R83 IonicContact OD1-NH2 2.7Å; D80-R83 PolarHBondContact OD1-NH2 3.3Å; R83-K86 PolarHBondContact O-N 3.44Å; R83-C87 PolarHBondContact O-N 3.17Å; R83-C87 VanDerWaalsContact O-N 3.09Å; R83-C87 PolarHBondContact O-SG 2.85Å |
| 84 | R | 83.6 | Confident | 82.1 | Confident | 46 Ų | 46 | 54.9 Ų | 54.9 | 17% | 0.174 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.6 | -44.4 | -180 | -173.3 | 167.4 | 179.2 | 176.2 | 1.1 | 112.4 | I40 A43 D44 F49 D80 V81 K86 C87 R88 | I40-R84 PolarHBondContact O-NH1 3.17Å; I40-R84 VanDerWaalsContact O-NH1 3.16Å; A43-R84 PolarHBondContact O-NH1 2.99Å; A43-R84 PolarHBondContact O-NH2 3.36Å; D44-R84 PolarHBondContact O-NH2 2.82Å; D44-R84 VanDerWaalsContact O-NH2 3.09Å; F49-R84 HydrophobicContact CD1-CG 4.38Å; F49-R84 HydrophobicContact CE1-CB 4.32Å; F49-R84 HydrophobicContact CE1-CG 3.82Å; F49-R84 HydrophobicContact CZ-CB 4.06Å; F49-R84 HydrophobicContact CZ-CG 3.9Å; D80-R84 VanDerWaalsContact O-CB 3.27Å; D80-R84 WeakPolarHBondContact O-CB 3.46Å; D80-R84 PolarHBondContact O-N 2.93Å; V81-R84 PolarHBondContact O-N 2.92Å; R84-K86 PolarHBondContact O-N 3.47Å; R84-C87 PolarHBondContact O-N 3.33Å; R84-R88 PolarHBondContact O-N 3.44Å |
| 85 | L | 85 | Confident | 82.6 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 173.2 | -78.4 | 169 | 0 | 0 | 0 | 111.8 | F49 L53 V81 C87 R88 I91 V93 Y118 L121 R125 | F49-L85 HydrophobicContact CE1-CD2 4.27Å; F49-L85 HydrophobicContact CE1-CG 4.27Å; L53-L85 HydrophobicContact CD1-CD1 4.1Å; L53-L85 HydrophobicContact CD1-CD2 3.74Å; L53-L85 HydrophobicContact CD1-CG 4.07Å; V81-L85 HydrophobicContact CG1-CD1 3.89Å; V81-L85 WeakPolarHBondContact O-CB 3.37Å; V81-L85 WeakPolarHBondContact O-CG 3.4Å; V81-L85 PolarHBondContact O-N 2.93Å; L85-C87 VanDerWaalsContact C-N 3.31Å; L85-C87 PolarHBondContact O-N 3Å; L85-R88 CarbonylContact O-C 3.33Å; L85-R88 PolarHBondContact O-N 3.31Å; L85-I91 HydrophobicContact CD2-CB 4.26Å; L85-I91 HydrophobicContact CD2-CG2 3.74Å; L85-V93 HydrophobicContact CD1-CG2 4.44Å; L85-V93 HydrophobicContact CD2-CG2 4.1Å; L85-Y118 HydrophobicContact CD1-CD1 4.36Å; L85-Y118 HydrophobicContact CD1-CE1 4.07Å; L85-L121 HydrophobicContact CB-CD2 3.91Å; L85-L121 HydrophobicContact CD1-CD2 4.04Å; L85-R125 PolarHBondContact O-NH1 3.12Å; L85-R125 PolarHBondContact O-NH2 2.85Å |
| 86 | K | 82.1 | Confident | 83.1 | Confident | 150 Ų | 150 | 55.1 Ų | 55.1 | 65% | 0.652 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62 | -36.3 | 175.6 | -77.2 | 175.5 | 177.5 | -178.8 | 0 | 112.7 | T82 R83 R84 | T82-K86 HydrophobicContact CG2-CD 4.14Å; T82-K86 WeakPolarHBondContact O-CB 3.04Å; T82-K86 VanDerWaalsContact O-CG 3.3Å; T82-K86 WeakPolarHBondContact O-CG 3.4Å; T82-K86 PolarHBondContact O-N 3.04Å; R83-K86 PolarHBondContact O-N 3.44Å; R84-K86 PolarHBondContact O-N 3.47Å |
| 87 | C | 80.9 | Confident | 83.3 | Confident | 98 Ų | 98 | 53 Ų | 53 | 66% | 0.662 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -79.3 | -19.3 | 179.1 | -61.3 | 0 | 0 | 0 | 0 | 114.3 | R83 R84 L85 | R83-C87 PolarHBondContact O-N 3.17Å; R83-C87 VanDerWaalsContact O-N 3.09Å; R83-C87 PolarHBondContact O-SG 2.85Å; R84-C87 PolarHBondContact O-N 3.33Å; L85-C87 VanDerWaalsContact C-N 3.31Å; L85-C87 PolarHBondContact O-N 3Å |
| 88 | R | 82.5 | Confident | 83.6 | Confident | 86 Ų | 86 | 52.2 Ų | 52.2 | 33% | 0.325 | 26% | 0.263 | S | S | . | . | trans | -127.2 | 95.3 | -177.2 | -56.1 | -163.1 | -171.8 | 176.6 | -1.2 | 110.4 | D44 D46 R84 L85 N90 I91 R125 | D44-R88 PolarHBondContact O-NH1 3.33Å; D46-R88 WeakPolarHBondContact OD1-CD 3.41Å; D46-R88 IonicContact OD1-CZ 2.64Å; D46-R88 IonicContact OD1-NE 3.43Å; D46-R88 IonicContact OD1-NH1 3.49Å; D46-R88 PolarHBondContact OD1-NH1 3.4Å; R84-R88 PolarHBondContact O-N 3.44Å; L85-R88 CarbonylContact O-C 3.33Å; L85-R88 PolarHBondContact O-N 3.31Å; R88-N90 PolarHBondContact O-N 3.26Å; R88-I91 HydrophobicContact CB-CD1 3.69Å; R88-I91 HydrophobicContact CG-CD1 4.43Å; R88-R125 PolarHBondContact O-NH1 3.34Å | ||
| 89 | P | 76.1 | Confident | 83.7 | Confident | 85 Ų | 85 | 52.1 Ų | 52.1 | 55% | 0.552 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -23.1 | -168.7 | 27.6 | -35 | 0 | 0 | 0 | 114.8 | R125 | P89-R125 WeakPolarHBondContact O-CD 3.34Å; P89-R125 PolarHBondContact O-NH1 3.31Å |
| 90 | N | 80 | Confident | 83.9 | Confident | 129 Ų | 129 | 55 Ų | 55 | 69% | 0.69 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -23.5 | -171.4 | -62.1 | -8.7 | 0 | 0 | 0 | 114 | R88 Q92 | R88-N90 PolarHBondContact O-N 3.26Å; N90-Q92 PolarHBondContact O-N 2.79Å; N90-Q92 PolarHBondContact O-NE2 2.76Å |
| 91 | I | 85.8 | Confident | 84 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | trans | -65.7 | 126 | -177.9 | -70.8 | 161.8 | 0 | 0 | 0 | 110.7 | D46 F49 E50 L53 L85 R88 R125 | D46-I91 HydrophobicContact CB-CD1 3.88Å; D46-I91 HydrophobicContact CB-CG1 3.73Å; D46-I91 VanDerWaalsContact CG-CD1 3.43Å; F49-I91 HydrophobicContact CD1-CD1 3.65Å; F49-I91 HydrophobicContact CD1-CG2 4.18Å; F49-I91 HydrophobicContact CE1-CD1 4.2Å; F49-I91 HydrophobicContact CE1-CG2 4.44Å; E50-I91 HydrophobicContact CB-CG2 4.09Å; E50-I91 HydrophobicContact CG-CG2 4.34Å; L53-I91 HydrophobicContact CD1-CG2 4.18Å; L85-I91 HydrophobicContact CD2-CB 4.26Å; L85-I91 HydrophobicContact CD2-CG2 3.74Å; R88-I91 HydrophobicContact CB-CD1 3.69Å; R88-I91 HydrophobicContact CG-CD1 4.43Å; I91-R125 WeakPolarHBondContact O-CD 3.46Å; I91-R125 PolarHBondContact O-NH1 3.37Å | ||
| 92 | Q | 85.7 | Confident | 84.1 | Confident | 39 Ų | 39 | 51.8 Ų | 51.8 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | trans | -77.6 | 163.8 | 177.8 | -55.6 | -60.9 | -40.1 | 0 | 0 | 112.4 | E50 N90 R125 | E50-Q92 HydrophobicContact CG-CB 4.31Å; E50-Q92 PolarHBondContact OE2-N 3.16Å; N90-Q92 PolarHBondContact O-N 2.79Å; N90-Q92 PolarHBondContact O-NE2 2.76Å; Q92-R125 PolarHBondContact NE2-O 2.94Å; Q92-R125 PolarHBondContact OE1-O 3.03Å | ||
| 93 | V | 86.9 | Confident | 84.1 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | trans | -134.6 | 146.5 | -174 | 178.8 | 0 | 0 | 0 | 0 | 108.1 | L57 L85 V95 L98 | L57-V93 HydrophobicContact CD2-CG1 3.88Å; L85-V93 HydrophobicContact CD1-CG2 4.44Å; L85-V93 HydrophobicContact CD2-CG2 4.1Å; V93-V95 HydrophobicContact CB-CG2 4.3Å; V93-V95 HydrophobicContact CG1-CG2 4.49Å; V93-V95 PolarHBondContact O-N 3.2Å; V93-L98 HydrophobicContact CG1-CD1 3.72Å | ||
| 94 | P | 86.8 | Confident | 84.1 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | trans | -71.2 | 65.7 | 177.8 | 26.5 | -34.9 | 0 | 0 | 0 | 112.7 | Q54 L57 V58 H96 E97 L98 | Q54-P94 VanDerWaalsContact OE1-CB 3.26Å; Q54-P94 VanDerWaalsContact OE1-N 3.1Å; L57-P94 HydrophobicContact CB-CG 4.01Å; L57-P94 HydrophobicContact CD2-CG 4.13Å; V58-P94 HydrophobicContact CG2-CG 4.41Å; P94-H96 VanDerWaalsContact C-N 3.28Å; P94-H96 PolarHBondContact O-N 2.74Å; P94-E97 WeakPolarHBondContact CA-OE2 3.42Å; P94-E97 HydrophobicContact CB-CB 4.36Å; P94-E97 VanDerWaalsContact CB-OE2 3.29Å; P94-E97 WeakPolarHBondContact CB-OE2 3.3Å; P94-L98 WeakPolarHBondContact O-CB 3.43Å; P94-L98 WeakPolarHBondContact O-CD1 3.48Å; P94-L98 WeakPolarHBondContact O-CG 2.91Å; P94-L98 PolarHBondContact O-N 3.09Å | ||
| 95 | V | 87.1 | Confident | 83.7 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.5 | -31.9 | -173.9 | 178.5 | 0 | 0 | 0 | 0 | 112.2 | V93 L99 I119 F123 L126 L134 | V93-V95 HydrophobicContact CB-CG2 4.3Å; V93-V95 HydrophobicContact CG1-CG2 4.49Å; V93-V95 PolarHBondContact O-N 3.2Å; V95-L99 HydrophobicContact CG1-CD1 3.87Å; V95-L99 WeakPolarHBondContact O-CB 3.41Å; V95-L99 WeakPolarHBondContact O-CD1 3.36Å; V95-L99 PolarHBondContact O-N 3.36Å; V95-I119 HydrophobicContact CG1-CG2 4.44Å; V95-F123 HydrophobicContact CG1-CB 4.28Å; V95-F123 HydrophobicContact CG1-CD2 4.27Å; V95-L126 HydrophobicContact CB-CD1 4Å; V95-L126 HydrophobicContact CG1-CD1 4.12Å; V95-L126 HydrophobicContact CG2-CD1 4.05Å; V95-L126 HydrophobicContact CG2-CD2 4.24Å; V95-L126 HydrophobicContact CG2-CG 4.2Å; V95-L134 HydrophobicContact CG1-CD1 4.09Å |
| 96 | H | 85.6 | Confident | 83.4 | Confident | 87 Ų | 87 | 56.2 Ų | 56.2 | 40% | 0.403 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70.7 | -48.1 | -179.3 | -177.1 | 62.9 | 0 | 0 | 0 | 111.4 | P94 L98 L99 L100 L134 | P94-H96 VanDerWaalsContact C-N 3.28Å; P94-H96 PolarHBondContact O-N 2.74Å; H96-L98 VanDerWaalsContact C-N 3.3Å; H96-L98 PolarHBondContact O-N 3.41Å; H96-L99 PolarHBondContact O-N 3Å; H96-L99 VanDerWaalsContact O-N 3.13Å; H96-L100 WeakPolarHBondContact O-CG 3.27Å; H96-L100 PolarHBondContact O-N 3.33Å; H96-L134 HydrophobicContact CB-CD2 4.35Å |
| 97 | E | 84.9 | Confident | 83.3 | Confident | 86 Ų | 86 | 50.4 Ų | 50.4 | 40% | 0.402 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.9 | -31.7 | 177.7 | -58.1 | 74.8 | -168.3 | 0 | 0 | 111.7 | V58 P94 S101 | V58-E97 HydrophobicContact CG2-CB 3.83Å; P94-E97 WeakPolarHBondContact CA-OE2 3.42Å; P94-E97 HydrophobicContact CB-CB 4.36Å; P94-E97 VanDerWaalsContact CB-OE2 3.29Å; P94-E97 WeakPolarHBondContact CB-OE2 3.3Å; E97-S101 WeakPolarHBondContact O-CB 3.37Å; E97-S101 PolarHBondContact O-N 3.42Å; E97-S101 PolarHBondContact O-OG 3.31Å |
| 98 | L | 86.5 | Confident | 83.3 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.3 | -39.6 | 169.4 | -71.5 | 166 | 0 | 0 | 0 | 112.2 | L57 V58 L61 V93 P94 H96 S101 Y102 I119 | L57-L98 HydrophobicContact CD2-CD1 4.22Å; V58-L98 HydrophobicContact CG2-CD2 3.95Å; V58-L98 HydrophobicContact CG2-CG 4.04Å; L61-L98 HydrophobicContact CD1-CD2 3.58Å; V93-L98 HydrophobicContact CG1-CD1 3.72Å; P94-L98 WeakPolarHBondContact O-CB 3.43Å; P94-L98 WeakPolarHBondContact O-CD1 3.48Å; P94-L98 WeakPolarHBondContact O-CG 2.91Å; P94-L98 PolarHBondContact O-N 3.09Å; H96-L98 VanDerWaalsContact C-N 3.3Å; H96-L98 PolarHBondContact O-N 3.41Å; L98-S101 CarbonylContact O-C 3.48Å; L98-S101 PolarHBondContact O-N 3.1Å; L98-Y102 WeakPolarHBondContact O-CB 3.36Å; L98-Y102 PolarHBondContact O-N 3.14Å; L98-I119 HydrophobicContact CB-CD1 4.25Å; L98-I119 HydrophobicContact CB-CG1 3.76Å |
| 99 | L | 85.3 | Confident | 83.1 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 175.1 | -111.5 | 103 | 0 | 0 | 0 | 111.6 | V95 H96 S101 Y102 N103 I119 V137 L138 | V95-L99 HydrophobicContact CG1-CD1 3.87Å; V95-L99 WeakPolarHBondContact O-CB 3.41Å; V95-L99 WeakPolarHBondContact O-CD1 3.36Å; V95-L99 PolarHBondContact O-N 3.36Å; H96-L99 PolarHBondContact O-N 3Å; H96-L99 VanDerWaalsContact O-N 3.13Å; L99-S101 VanDerWaalsContact C-N 3.26Å; L99-S101 PolarHBondContact O-N 2.94Å; L99-Y102 PolarHBondContact O-N 3.16Å; L99-Y102 VanDerWaalsContact O-N 3.12Å; L99-N103 WeakPolarHBondContact O-CB 3.41Å; L99-N103 PolarHBondContact O-N 2.94Å; L99-I119 HydrophobicContact CD1-CD1 3.91Å; L99-I119 HydrophobicContact CD1-CG1 4.02Å; L99-I119 HydrophobicContact CD1-CG2 3.93Å; L99-I119 HydrophobicContact CG-CD1 4.06Å; L99-V137 HydrophobicContact CD2-CB 3.83Å; L99-V137 HydrophobicContact CD2-CG1 3.62Å; L99-L138 HydrophobicContact CD1-CD2 4.05Å; L99-L138 HydrophobicContact CD1-CG 4.4Å; L99-L138 HydrophobicContact CD2-CD2 4.13Å; L99-L138 HydrophobicContact CD2-CG 4.09Å |
| 100 | L | 84.4 | Confident | 83.1 | Confident | 93 Ų | 93 | 50.7 Ų | 50.7 | 49% | 0.487 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57.5 | -42.1 | 173 | -67.4 | 172.6 | 0 | 0 | 0 | 111 | H96 Y102 D104 | H96-L100 WeakPolarHBondContact O-CG 3.27Å; H96-L100 PolarHBondContact O-N 3.33Å; L100-Y102 VanDerWaalsContact C-N 3.35Å; L100-Y102 PolarHBondContact O-N 2.9Å; L100-D104 VanDerWaalsContact O-CB 3.28Å; L100-D104 WeakPolarHBondContact O-CB 3.23Å; L100-D104 PolarHBondContact O-N 3.43Å |
| 101 | S | 83.2 | Confident | 83.2 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 5% | 0.049 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -75 | -18.7 | 177.4 | -53.5 | 0 | 0 | 0 | 0 | 114.4 | V58 E97 L98 L99 N107 L111 | V58-S101 WeakPolarHBondContact CG1-OG 3.24Å; E97-S101 WeakPolarHBondContact O-CB 3.37Å; E97-S101 PolarHBondContact O-N 3.42Å; E97-S101 PolarHBondContact O-OG 3.31Å; L98-S101 CarbonylContact O-C 3.48Å; L98-S101 PolarHBondContact O-N 3.1Å; L99-S101 VanDerWaalsContact C-N 3.26Å; L99-S101 PolarHBondContact O-N 2.94Å; S101-N107 PolarHBondContact O-ND2 3.2Å; S101-N107 VanDerWaalsContact O-ND2 3.13Å; S101-L111 WeakPolarHBondContact O-CD2 3.26Å |
| 102 | Y | 86.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -82.8 | -34.6 | 173.7 | 180 | -100.6 | 0 | 0 | 0 | 112.1 | L98 L99 L100 V112 H116 I119 K146 Q150 L154 | L98-Y102 WeakPolarHBondContact O-CB 3.36Å; L98-Y102 PolarHBondContact O-N 3.14Å; L99-Y102 PolarHBondContact O-N 3.16Å; L99-Y102 VanDerWaalsContact O-N 3.12Å; L100-Y102 VanDerWaalsContact C-N 3.35Å; L100-Y102 PolarHBondContact O-N 2.9Å; Y102-V112 HydrophobicContact CD2-CB 4.47Å; Y102-V112 HydrophobicContact CD2-CG1 3.61Å; Y102-V112 WeakPolarHBondContact CD2-O 3.37Å; Y102-V112 HydrophobicContact CE2-CG1 3.41Å; Y102-V112 VanDerWaalsContact CE2-CG1 3.41Å; Y102-H116 HydrophobicContact CD2-CB 4.08Å; Y102-H116 HydrophobicContact CE2-CB 3.73Å; Y102-I119 HydrophobicContact CG-CD1 4.21Å; Y102-K146 HydrophobicContact CE1-CD 4.11Å; Y102-K146 HydrophobicContact CE1-CG 4.15Å; Y102-K146 HydrophobicContact CE2-CD 4.48Å; Y102-K146 PolarHBondContact O-NZ 2.91Å; Y102-K146 VanDerWaalsContact O-NZ 3.11Å; Y102-K146 WeakPolarHBondContact OH-CG 3.43Å; Y102-Q150 PolarHBondContact OH-OE1 2.91Å; Y102-L154 HydrophobicContact CE1-CD1 4.01Å |
| 103 | N | 85.3 | Confident | 83.1 | Confident | 50 Ų | 50 | 47 Ų | 47 | 27% | 0.267 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -83 | -31 | 179.9 | -70.4 | -6.8 | 0 | 0 | 0 | 112.9 | L99 P105 S141 | L99-N103 WeakPolarHBondContact O-CB 3.41Å; L99-N103 PolarHBondContact O-N 2.94Å; N103-P105 VanDerWaalsContact O-CD 3.31Å; N103-P105 WeakPolarHBondContact O-CD 3.43Å; N103-S141 VanDerWaalsContact CG-OG 3.24Å; N103-S141 PolarHBondContact ND2-OG 2.81Å; N103-S141 WeakPolarHBondContact OD1-CB 3.23Å; N103-S141 PolarHBondContact OD1-OG 3.35Å |
| 104 | D | 81.9 | Confident | 83.1 | Confident | 48 Ų | 48 | 48.6 Ų | 48.6 | 26% | 0.257 | 27% | 0.269 | S | S | . | . | trans | -61.8 | 111.6 | 176.4 | 165 | 11.3 | 0 | 0 | 0 | 111.4 | K62 L100 S106 N107 | K62-D104 IonicContact NZ-OD2 3.61Å; L100-D104 VanDerWaalsContact O-CB 3.28Å; L100-D104 WeakPolarHBondContact O-CB 3.23Å; L100-D104 PolarHBondContact O-N 3.43Å; D104-S106 PolarHBondContact O-N 3.29Å; D104-S106 WeakPolarHBondContact OD1-CB 3.45Å; D104-S106 PolarHBondContact OD1-N 2.84Å; D104-S106 PolarHBondContact OD1-OG 2.9Å; D104-S106 PolarHBondContact OD2-OG 3.43Å; D104-N107 VanDerWaalsContact CB-ND2 3.28Å; D104-N107 WeakPolarHBondContact CB-ND2 3.5Å; D104-N107 PolarHBondContact O-N 2.89Å; D104-N107 PolarHBondContact O-ND2 3.33Å; D104-N107 PolarHBondContact OD2-ND2 2.82Å | ||
| 105 | P | 75.1 | Confident | 83.1 | Confident | 117 Ų | 117 | 48.5 Ų | 48.5 | 76% | 0.76 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -5.2 | -172.1 | 33.5 | -37.1 | 0 | 0 | 0 | 113.6 | N103 N107 | N103-P105 VanDerWaalsContact O-CD 3.31Å; N103-P105 WeakPolarHBondContact O-CD 3.43Å; P105-N107 VanDerWaalsContact C-N 3.29Å |
| 106 | S | 79.5 | Confident | 83.2 | Confident | 99 Ų | 99 | 48.9 Ų | 48.9 | 69% | 0.692 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -14 | 174.9 | 73.2 | 0 | 0 | 0 | 0 | 113.1 | D104 | D104-S106 PolarHBondContact O-N 3.29Å; D104-S106 WeakPolarHBondContact OD1-CB 3.45Å; D104-S106 PolarHBondContact OD1-N 2.84Å; D104-S106 PolarHBondContact OD1-OG 2.9Å; D104-S106 PolarHBondContact OD2-OG 3.43Å |
| 107 | N | 79.7 | Confident | 83.2 | Confident | 28 Ų | 28 | 47.7 Ų | 47.7 | 15% | 0.15 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -79 | 146.1 | -178.8 | -66.7 | -66.6 | 0 | 0 | 0 | 112.7 | S101 D104 P105 L111 V112 | S101-N107 PolarHBondContact O-ND2 3.2Å; S101-N107 VanDerWaalsContact O-ND2 3.13Å; D104-N107 VanDerWaalsContact CB-ND2 3.28Å; D104-N107 WeakPolarHBondContact CB-ND2 3.5Å; D104-N107 PolarHBondContact O-N 2.89Å; D104-N107 PolarHBondContact O-ND2 3.33Å; D104-N107 PolarHBondContact OD2-ND2 2.82Å; P105-N107 VanDerWaalsContact C-N 3.29Å; N107-L111 HydrophobicContact CB-CB 4.25Å; N107-L111 HydrophobicContact CB-CD1 4.46Å; N107-L111 HydrophobicContact CB-CD2 3.85Å; N107-L111 HydrophobicContact CB-CG 4.39Å; N107-V112 HydrophobicContact CB-CG2 4.47Å |
| 108 | S | 80.2 | Confident | 83.4 | Confident | 49 Ų | 49 | 43.6 Ų | 43.6 | 34% | 0.343 | 25% | 0.247 | S | C | . | . | trans | -69 | 153 | 178.8 | 75.2 | 0 | 0 | 0 | 0 | 112.3 | S65 F110 L111 V112 | S65-S108 WeakPolarHBondContact CB-OG 3.36Å; S108-F110 PolarHBondContact O-N 2.69Å; S108-L111 WeakPolarHBondContact O-CA 3.16Å; S108-L111 WeakPolarHBondContact O-CB 3.29Å; S108-L111 PolarHBondContact O-N 3.44Å; S108-V112 PolarHBondContact O-N 3.05Å | ||
| 109 | V | 78.6 | Confident | 83.5 | Confident | 108 Ų | 108 | 43.6 Ų | 43.6 | 66% | 0.655 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -52.9 | -33 | 177.3 | -178.6 | 0 | 0 | 0 | 0 | 112.1 | V112 N113 | V109-V112 PolarHBondContact O-N 3.08Å; V109-N113 WeakPolarHBondContact O-CB 3.43Å; V109-N113 PolarHBondContact O-N 3.47Å; V109-N113 PolarHBondContact O-ND2 2.76Å; V109-N113 PolarHBondContact O-OD1 3.43Å |
| 110 | F | 76.4 | Confident | 83.6 | Confident | 118 Ų | 118 | 46.5 Ų | 46.5 | 52% | 0.518 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60 | -47.1 | 172.2 | -100.2 | -74.8 | 0 | 0 | 0 | 112.6 | S108 N113 F114 | S108-F110 PolarHBondContact O-N 2.69Å; F110-N113 PolarHBondContact O-N 3.07Å; F110-F114 HydrophobicContact CD1-CD2 4.49Å; F110-F114 AromaticContact CD1-CE2 3.96Å; F110-F114 HydrophobicContact CD1-CE2 3.96Å; F110-F114 VanDerWaalsContact O-CD2 3.24Å; F110-F114 WeakPolarHBondContact O-CD2 3.25Å; F110-F114 PolarHBondContact O-N 2.81Å; F110-F114 VanDerWaalsContact O-N 3.08Å |
| 111 | L | 82.4 | Confident | 83.7 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.8 | -42.3 | 178.3 | -169.8 | 149.5 | 0 | 0 | 0 | 111.4 | L61 K62 S101 N107 S108 N113 F114 S115 | L61-L111 HydrophobicContact CB-CD1 4.27Å; L61-L111 HydrophobicContact CB-CG 4.26Å; K62-L111 HydrophobicContact CB-CD1 4.27Å; K62-L111 HydrophobicContact CG-CD1 3.54Å; S101-L111 WeakPolarHBondContact O-CD2 3.26Å; N107-L111 HydrophobicContact CB-CB 4.25Å; N107-L111 HydrophobicContact CB-CD1 4.46Å; N107-L111 HydrophobicContact CB-CD2 3.85Å; N107-L111 HydrophobicContact CB-CG 4.39Å; S108-L111 WeakPolarHBondContact O-CA 3.16Å; S108-L111 WeakPolarHBondContact O-CB 3.29Å; S108-L111 PolarHBondContact O-N 3.44Å; L111-N113 VanDerWaalsContact C-N 3.34Å; L111-N113 PolarHBondContact O-N 3.48Å; L111-F114 PolarHBondContact O-N 3.34Å; L111-S115 VanDerWaalsContact CD2-OG 3.31Å; L111-S115 WeakPolarHBondContact CD2-OG 3.28Å; L111-S115 VanDerWaalsContact O-CB 3.29Å; L111-S115 WeakPolarHBondContact O-CB 3.19Å; L111-S115 PolarHBondContact O-N 2.99Å; L111-S115 PolarHBondContact O-OG 3.02Å |
| 112 | V | 84.2 | Confident | 83.8 | Confident | 16 Ų | 16 | 43.5 Ų | 43.5 | 10% | 0.097 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.6 | -46.4 | 176.4 | 175.8 | 0 | 0 | 0 | 0 | 110.4 | Y102 N107 S108 V109 S115 H116 K146 | Y102-V112 HydrophobicContact CD2-CB 4.47Å; Y102-V112 HydrophobicContact CD2-CG1 3.61Å; Y102-V112 WeakPolarHBondContact CD2-O 3.37Å; Y102-V112 HydrophobicContact CE2-CG1 3.41Å; Y102-V112 VanDerWaalsContact CE2-CG1 3.41Å; N107-V112 HydrophobicContact CB-CG2 4.47Å; S108-V112 PolarHBondContact O-N 3.05Å; V109-V112 PolarHBondContact O-N 3.08Å; V112-S115 PolarHBondContact O-N 3.23Å; V112-H116 WeakPolarHBondContact O-CB 3.31Å; V112-H116 PolarHBondContact O-N 2.87Å; V112-K146 HydrophobicContact CG1-CD 4.46Å |
| 113 | N | 84.5 | Confident | 83.9 | Confident | 72 Ų | 72 | 43.6 Ų | 43.6 | 39% | 0.385 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.4 | -44.4 | 177.8 | -70.2 | -12 | 0 | 0 | 0 | 112.9 | V109 F110 L111 M117 Q150 | V109-N113 WeakPolarHBondContact O-CB 3.43Å; V109-N113 PolarHBondContact O-N 3.47Å; V109-N113 PolarHBondContact O-ND2 2.76Å; V109-N113 PolarHBondContact O-OD1 3.43Å; F110-N113 PolarHBondContact O-N 3.07Å; L111-N113 VanDerWaalsContact C-N 3.34Å; L111-N113 PolarHBondContact O-N 3.48Å; N113-M117 PolarHBondContact O-N 2.88Å; N113-M117 VanDerWaalsContact O-N 3.07Å; N113-Q150 PolarHBondContact OD1-NE2 3Å |
| 114 | F | 86.4 | Confident | 83.9 | Confident | 35 Ų | 35 | 44.7 Ų | 44.7 | 15% | 0.154 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.2 | -38.2 | 176.4 | -80 | -62.1 | 0 | 0 | 0 | 112.7 | L61 L64 M75 F110 L111 H116 M117 Y118 | L61-F114 HydrophobicContact CD1-CB 4.37Å; L61-F114 HydrophobicContact CD2-CB 3.58Å; L61-F114 HydrophobicContact CD2-CG 4.1Å; L64-F114 HydrophobicContact CD2-CD2 3.58Å; L64-F114 HydrophobicContact CD2-CE2 3.53Å; L64-F114 HydrophobicContact CD2-CZ 4.45Å; M75-F114 HydrophobicContact CE-CZ 3.87Å; M75-F114 HydrophobicContact SD-CE1 4.39Å; M75-F114 HydrophobicContact SD-CE2 3.87Å; M75-F114 HydrophobicContact SD-CZ 3.44Å; M75-F114 WeakPolarHBondContact SD-CZ 3.42Å; F110-F114 HydrophobicContact CD1-CD2 4.49Å; F110-F114 AromaticContact CD1-CE2 3.96Å; F110-F114 HydrophobicContact CD1-CE2 3.96Å; F110-F114 VanDerWaalsContact O-CD2 3.24Å; F110-F114 WeakPolarHBondContact O-CD2 3.25Å; F110-F114 PolarHBondContact O-N 2.81Å; F110-F114 VanDerWaalsContact O-N 3.08Å; L111-F114 PolarHBondContact O-N 3.34Å; F114-H116 VanDerWaalsContact C-N 3.33Å; F114-H116 PolarHBondContact O-N 3.05Å; F114-M117 WeakPolarHBondContact O-CB 3.23Å; F114-M117 PolarHBondContact O-N 3.44Å; F114-M117 VanDerWaalsContact O-N 3.15Å; F114-Y118 VanDerWaalsContact O-CD2 3.25Å; F114-Y118 WeakPolarHBondContact O-CD2 3.47Å; F114-Y118 PolarHBondContact O-N 2.65Å |
| 115 | S | 88 | Confident | 84.1 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.9 | -45 | 175.5 | -58.8 | 0 | 0 | 0 | 0 | 110.3 | L111 V112 M117 Y118 I119 | L111-S115 VanDerWaalsContact CD2-OG 3.31Å; L111-S115 WeakPolarHBondContact CD2-OG 3.28Å; L111-S115 VanDerWaalsContact O-CB 3.29Å; L111-S115 WeakPolarHBondContact O-CB 3.19Å; L111-S115 PolarHBondContact O-N 2.99Å; L111-S115 PolarHBondContact O-OG 3.02Å; V112-S115 PolarHBondContact O-N 3.23Å; S115-M117 PolarHBondContact O-N 2.78Å; S115-Y118 PolarHBondContact O-N 3.12Å; S115-I119 WeakPolarHBondContact O-CB 3.43Å; S115-I119 WeakPolarHBondContact O-CD1 3.31Å; S115-I119 WeakPolarHBondContact O-CG1 3.35Å; S115-I119 PolarHBondContact O-N 3.15Å |
| 116 | H | 87.7 | Confident | 84.7 | Confident | 9 Ų | 9 | 39.1 Ų | 39.1 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.2 | -44.1 | 172.1 | -177.4 | 77.2 | 0 | 0 | 0 | 112.9 | Y102 V112 F114 I119 R120 Q150 | Y102-H116 HydrophobicContact CD2-CB 4.08Å; Y102-H116 HydrophobicContact CE2-CB 3.73Å; V112-H116 WeakPolarHBondContact O-CB 3.31Å; V112-H116 PolarHBondContact O-N 2.87Å; F114-H116 VanDerWaalsContact C-N 3.33Å; F114-H116 PolarHBondContact O-N 3.05Å; H116-I119 PolarHBondContact O-N 3.34Å; H116-R120 WeakPolarHBondContact NE2-CD 3.46Å; H116-R120 WeakPolarHBondContact O-CG 3.45Å; H116-R120 PolarHBondContact O-N 3.3Å; H116-Q150 PolarHBondContact CE1-O 2.74Å |
| 117 | M | 86.9 | Confident | 84.9 | Confident | 63 Ų | 63 | 37.9 Ų | 37.9 | 31% | 0.31 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.6 | -45.6 | 176.5 | -169 | -158.5 | 75.6 | 0 | 0 | 112.2 | T82 N113 F114 S115 R120 L121 | T82-M117 HydrophobicContact CG2-CE 4.37Å; N113-M117 PolarHBondContact O-N 2.88Å; N113-M117 VanDerWaalsContact O-N 3.07Å; F114-M117 WeakPolarHBondContact O-CB 3.23Å; F114-M117 PolarHBondContact O-N 3.44Å; F114-M117 VanDerWaalsContact O-N 3.15Å; S115-M117 PolarHBondContact O-N 2.78Å; M117-R120 PolarHBondContact O-N 2.93Å; M117-L121 PolarHBondContact O-N 2.9Å |
| 118 | Y | 88.4 | Confident | 85 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -75.7 | -31 | -179.5 | -75.6 | -68.8 | 0 | 0 | 0 | 113.2 | L57 L61 L78 V81 T82 L85 F114 S115 L121 G122 | L57-Y118 HydrophobicContact CD1-CD1 4.5Å; L57-Y118 HydrophobicContact CD1-CD2 4.36Å; L57-Y118 HydrophobicContact CD1-CE1 4.22Å; L57-Y118 HydrophobicContact CD1-CE2 4.08Å; L57-Y118 HydrophobicContact CD2-CD1 3.99Å; L57-Y118 HydrophobicContact CD2-CE1 4.42Å; L57-Y118 HydrophobicContact CD2-CG 4.07Å; L61-Y118 HydrophobicContact CD1-CD2 4.12Å; L61-Y118 HydrophobicContact CD2-CD2 4.49Å; L61-Y118 HydrophobicContact CD2-CE2 4.22Å; L78-Y118 HydrophobicContact CD2-CE2 3.93Å; L78-Y118 VanDerWaalsContact CD2-OH 3.26Å; L78-Y118 WeakPolarHBondContact CD2-OH 3.28Å; L78-Y118 PolarHBondContact O-OH 2.75Å; V81-Y118 HydrophobicContact CG1-CE1 4.34Å; T82-Y118 PolarHBondContact OG1-OH 3.14Å; L85-Y118 HydrophobicContact CD1-CD1 4.36Å; L85-Y118 HydrophobicContact CD1-CE1 4.07Å; F114-Y118 VanDerWaalsContact O-CD2 3.25Å; F114-Y118 WeakPolarHBondContact O-CD2 3.47Å; F114-Y118 PolarHBondContact O-N 2.65Å; S115-Y118 PolarHBondContact O-N 3.12Å; Y118-L121 HydrophobicContact CD1-CD2 4.35Å; Y118-L121 PolarHBondContact O-N 3.43Å; Y118-G122 PolarHBondContact O-N 3.04Å |
| 119 | I | 89.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.5 | -48.2 | 167.8 | -70 | 162.9 | 0 | 0 | 0 | 109.4 | V95 L98 L99 Y102 S115 H116 L121 G122 F123 L154 L157 | V95-I119 HydrophobicContact CG1-CG2 4.44Å; L98-I119 HydrophobicContact CB-CD1 4.25Å; L98-I119 HydrophobicContact CB-CG1 3.76Å; L99-I119 HydrophobicContact CD1-CD1 3.91Å; L99-I119 HydrophobicContact CD1-CG1 4.02Å; L99-I119 HydrophobicContact CD1-CG2 3.93Å; L99-I119 HydrophobicContact CG-CD1 4.06Å; Y102-I119 HydrophobicContact CG-CD1 4.21Å; S115-I119 WeakPolarHBondContact O-CB 3.43Å; S115-I119 WeakPolarHBondContact O-CD1 3.31Å; S115-I119 WeakPolarHBondContact O-CG1 3.35Å; S115-I119 PolarHBondContact O-N 3.15Å; H116-I119 PolarHBondContact O-N 3.34Å; I119-L121 VanDerWaalsContact C-N 3.32Å; I119-L121 PolarHBondContact O-N 3.29Å; I119-G122 PolarHBondContact O-N 3.18Å; I119-F123 VanDerWaalsContact O-CB 3.23Å; I119-F123 WeakPolarHBondContact O-CB 3.47Å; I119-F123 PolarHBondContact O-N 2.72Å; I119-L154 HydrophobicContact CG2-CD2 4.09Å; I119-L157 HydrophobicContact CG2-CD1 4.11Å |
| 120 | R | 87.2 | Confident | 85.4 | Confident | 61 Ų | 61 | 46.9 Ų | 46.9 | 23% | 0.23 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.7 | -32.1 | 177.5 | -74.5 | -173.3 | 60.9 | -112.4 | -11.3 | 113.9 | H116 M117 P124 L157 Q229 | H116-R120 WeakPolarHBondContact NE2-CD 3.46Å; H116-R120 WeakPolarHBondContact O-CG 3.45Å; H116-R120 PolarHBondContact O-N 3.3Å; M117-R120 PolarHBondContact O-N 2.93Å; R120-P124 VanDerWaalsContact O-CD 3.23Å; R120-P124 WeakPolarHBondContact O-CD 3.35Å; R120-P124 WeakPolarHBondContact O-CG 3.28Å; R120-L157 HydrophobicContact CB-CD2 4.37Å; R120-L157 HydrophobicContact CG-CD1 3.9Å; R120-L157 HydrophobicContact CG-CD2 4.21Å; R120-L157 HydrophobicContact CG-CG 4.21Å; R120-Q229 PolarHBondContact NH2-O 2.93Å |
| 121 | L | 85.5 | Confident | 85.8 | Confident | 37 Ų | 37 | 42.8 Ų | 42.8 | 19% | 0.194 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -78.7 | -30 | 176.1 | -174.6 | 59.1 | 0 | 0 | 0 | 113.2 | L85 M117 Y118 I119 R125 | L85-L121 HydrophobicContact CB-CD2 3.91Å; L85-L121 HydrophobicContact CD1-CD2 4.04Å; M117-L121 PolarHBondContact O-N 2.9Å; Y118-L121 HydrophobicContact CD1-CD2 4.35Å; Y118-L121 PolarHBondContact O-N 3.43Å; I119-L121 VanDerWaalsContact C-N 3.32Å; I119-L121 PolarHBondContact O-N 3.29Å; L121-R125 WeakPolarHBondContact O-CD 3.44Å; L121-R125 PolarHBondContact O-NE 3.5Å |
| 122 | G | 86.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -94.7 | -42.9 | -174 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y118 I119 R125 | Y118-G122 PolarHBondContact O-N 3.04Å; I119-G122 PolarHBondContact O-N 3.18Å; G122-R125 VanDerWaalsContact O-CB 3.27Å; G122-R125 WeakPolarHBondContact O-CB 3.36Å; G122-R125 PolarHBondContact O-N 2.91Å |
| 123 | F | 88.9 | Confident | 85.6 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -55.8 | -41.4 | -175.5 | -176.9 | -94.1 | 0 | 0 | 0 | 113.6 | V95 I119 R125 L126 K131 L134 F135 L138 L157 V161 | V95-F123 HydrophobicContact CG1-CB 4.28Å; V95-F123 HydrophobicContact CG1-CD2 4.27Å; I119-F123 VanDerWaalsContact O-CB 3.23Å; I119-F123 WeakPolarHBondContact O-CB 3.47Å; I119-F123 PolarHBondContact O-N 2.72Å; F123-R125 PolarHBondContact O-N 3.06Å; F123-R125 VanDerWaalsContact O-N 3.14Å; F123-L126 HydrophobicContact CD2-CD1 3.97Å; F123-L126 PolarHBondContact O-N 3.13Å; F123-K131 HydrophobicContact CE1-CB 4.35Å; F123-K131 HydrophobicContact CE1-CG 4.2Å; F123-K131 HydrophobicContact CE2-CB 4.01Å; F123-K131 HydrophobicContact CE2-CG 4.11Å; F123-K131 HydrophobicContact CZ-CB 3.7Å; F123-K131 HydrophobicContact CZ-CG 3.93Å; F123-K131 WeakPolarHBondContact O-CE 3.35Å; F123-L134 HydrophobicContact CD2-CD1 4.3Å; F123-L134 HydrophobicContact CE2-CB 4.06Å; F123-L134 HydrophobicContact CE2-CD1 4.32Å; F123-F135 HydrophobicContact CZ-CD2 4.39Å; F123-F135 HydrophobicContact CZ-CE2 4.09Å; F123-L138 HydrophobicContact CD2-CD1 3.93Å; F123-L138 HydrophobicContact CE1-CD1 4.37Å; F123-L138 HydrophobicContact CE2-CD1 3.4Å; F123-L138 VanDerWaalsContact CE2-CD1 3.4Å; F123-L138 HydrophobicContact CZ-CD1 3.64Å; F123-L157 HydrophobicContact CB-CD1 4.14Å; F123-L157 HydrophobicContact CD1-CB 3.87Å; F123-L157 HydrophobicContact CD1-CD1 4.31Å; F123-L157 HydrophobicContact CD1-CG 4.49Å; F123-L157 HydrophobicContact CE1-CB 4.21Å; F123-L157 HydrophobicContact CG-CD1 4.39Å; F123-V161 HydrophobicContact CE1-CG2 4.46Å |
| 124 | P | 84.9 | Confident | 85.6 | Confident | 73 Ų | 73 | 46.3 Ų | 46.3 | 47% | 0.474 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -61.4 | -20.8 | 175.1 | -24.9 | 36.5 | 0 | 0 | 0 | 114.6 | R120 K131 L157 | R120-P124 VanDerWaalsContact O-CD 3.23Å; R120-P124 WeakPolarHBondContact O-CD 3.35Å; R120-P124 WeakPolarHBondContact O-CG 3.28Å; P124-K131 WeakPolarHBondContact O-CE 3.17Å; P124-K131 PolarHBondContact O-NZ 3.38Å; P124-L157 HydrophobicContact CG-CD2 4.01Å |
| 125 | R | 86 | Confident | 85.4 | Confident | 41 Ų | 41 | 44.8 Ų | 44.8 | 16% | 0.155 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -86.1 | -23.4 | -177.2 | -49.6 | -177.6 | 177 | -130.1 | -18.6 | 113.9 | L85 R88 P89 I91 Q92 L121 G122 F123 | L85-R125 PolarHBondContact O-NH1 3.12Å; L85-R125 PolarHBondContact O-NH2 2.85Å; R88-R125 PolarHBondContact O-NH1 3.34Å; P89-R125 WeakPolarHBondContact O-CD 3.34Å; P89-R125 PolarHBondContact O-NH1 3.31Å; I91-R125 WeakPolarHBondContact O-CD 3.46Å; I91-R125 PolarHBondContact O-NH1 3.37Å; Q92-R125 PolarHBondContact NE2-O 2.94Å; Q92-R125 PolarHBondContact OE1-O 3.03Å; L121-R125 WeakPolarHBondContact O-CD 3.44Å; L121-R125 PolarHBondContact O-NE 3.5Å; G122-R125 VanDerWaalsContact O-CB 3.27Å; G122-R125 WeakPolarHBondContact O-CB 3.36Å; G122-R125 PolarHBondContact O-N 2.91Å; F123-R125 PolarHBondContact O-N 3.06Å; F123-R125 VanDerWaalsContact O-N 3.14Å |
| 126 | L | 86.6 | Confident | 84.9 | Confident | 7 Ų | 7 | 46.1 Ų | 46.1 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -60.5 | 147.8 | -177.1 | -65.5 | 177.2 | 0 | 0 | 0 | 111.8 | V95 F123 Q130 K131 L134 | V95-L126 HydrophobicContact CB-CD1 4Å; V95-L126 HydrophobicContact CG1-CD1 4.12Å; V95-L126 HydrophobicContact CG2-CD1 4.05Å; V95-L126 HydrophobicContact CG2-CD2 4.24Å; V95-L126 HydrophobicContact CG2-CG 4.2Å; F123-L126 HydrophobicContact CD2-CD1 3.97Å; F123-L126 PolarHBondContact O-N 3.13Å; L126-Q130 HydrophobicContact CD1-CG 4.48Å; L126-K131 HydrophobicContact CB-CG 3.81Å; L126-K131 WeakPolarHBondContact O-CE 3.49Å; L126-K131 PolarHBondContact O-NZ 3.4Å; L126-L134 HydrophobicContact CD1-CD1 3.43Å; L126-L134 VanDerWaalsContact CD1-CD1 3.43Å |
| 127 | P | 85 | Confident | 84.7 | Confident | 74 Ų | 74 | 47.7 Ų | 47.7 | 48% | 0.481 | 23% | 0.23 | S | C | . | . | trans | -55.8 | 147.2 | 167.4 | -24.4 | 34.5 | 0 | 0 | 0 | 111.9 | R129 Q130 K131 | P127-R129 PolarHBondContact O-N 2.8Å; P127-Q130 WeakPolarHBondContact O-CA 3.45Å; P127-Q130 WeakPolarHBondContact O-CB 3.35Å; P127-Q130 PolarHBondContact O-N 3.11Å; P127-K131 PolarHBondContact O-N 3.27Å | ||
| 128 | L | 81.5 | Confident | 84.6 | Confident | 90 Ų | 90 | 44.9 Ų | 44.9 | 47% | 0.471 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -55.5 | -45.5 | -171.9 | -168.8 | 61.7 | 0 | 0 | 0 | 113.6 | Q130 K131 I132 V161 | L128-Q130 PolarHBondContact O-N 2.96Å; L128-K131 HydrophobicContact CD1-CD 4.43Å; L128-K131 WeakPolarHBondContact O-CB 3.28Å; L128-K131 PolarHBondContact O-N 3.19Å; L128-I132 HydrophobicContact CG-CD1 4.36Å; L128-I132 WeakPolarHBondContact O-CG1 3.4Å; L128-I132 PolarHBondContact O-N 2.62Å; L128-I132 VanDerWaalsContact O-N 3.1Å; L128-V161 HydrophobicContact CD1-CG1 4.14Å |
| 129 | R | 81.7 | Confident | 84.4 | Confident | 191 Ų | 191 | 45 Ų | 45 | 72% | 0.721 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -58.6 | -32.8 | 175.4 | -69 | -177.1 | 174.3 | 125.1 | -2.2 | 113.3 | P127 K133 | P127-R129 PolarHBondContact O-N 2.8Å; R129-K133 WeakPolarHBondContact O-CG 3.39Å; R129-K133 PolarHBondContact O-N 3.27Å |
| 130 | Q | 84.3 | Confident | 84 | Confident | 93 Ų | 93 | 46.9 Ų | 46.9 | 44% | 0.435 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -80.6 | -32.7 | 179.8 | -166.8 | 173.7 | 5.3 | 0 | 0 | 111.9 | L126 P127 L128 K133 L134 | L126-Q130 HydrophobicContact CD1-CG 4.48Å; P127-Q130 WeakPolarHBondContact O-CA 3.45Å; P127-Q130 WeakPolarHBondContact O-CB 3.35Å; P127-Q130 PolarHBondContact O-N 3.11Å; L128-Q130 PolarHBondContact O-N 2.96Å; Q130-K133 PolarHBondContact O-N 3.49Å; Q130-L134 PolarHBondContact O-N 2.75Å |
| 131 | K | 86.6 | Confident | 83.9 | Confident | 31 Ų | 31 | 44 Ų | 44 | 14% | 0.135 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.4 | -49.6 | 169 | -68.6 | 167.8 | 166.6 | 143.9 | 0 | 110.8 | F123 P124 L126 P127 L128 K133 L134 F135 V161 | F123-K131 HydrophobicContact CE1-CB 4.35Å; F123-K131 HydrophobicContact CE1-CG 4.2Å; F123-K131 HydrophobicContact CE2-CB 4.01Å; F123-K131 HydrophobicContact CE2-CG 4.11Å; F123-K131 HydrophobicContact CZ-CB 3.7Å; F123-K131 HydrophobicContact CZ-CG 3.93Å; F123-K131 WeakPolarHBondContact O-CE 3.35Å; P124-K131 WeakPolarHBondContact O-CE 3.17Å; P124-K131 PolarHBondContact O-NZ 3.38Å; L126-K131 HydrophobicContact CB-CG 3.81Å; L126-K131 WeakPolarHBondContact O-CE 3.49Å; L126-K131 PolarHBondContact O-NZ 3.4Å; P127-K131 PolarHBondContact O-N 3.27Å; L128-K131 HydrophobicContact CD1-CD 4.43Å; L128-K131 WeakPolarHBondContact O-CB 3.28Å; L128-K131 PolarHBondContact O-N 3.19Å; K131-K133 PolarHBondContact O-N 2.69Å; K131-L134 PolarHBondContact O-N 3.48Å; K131-F135 WeakPolarHBondContact O-CD2 3.4Å; K131-F135 PolarHBondContact O-N 3.36Å; K131-V161 HydrophobicContact CB-CG1 4.18Å; K131-V161 HydrophobicContact CD-CG2 4.01Å |
| 132 | I | 79.8 | Confident | 83.9 | Confident | 8 Ų | 8 | 42.2 Ų | 42.2 | 4% | 0.041 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.2 | -47.5 | 178.9 | -67.7 | 168.9 | 0 | 0 | 0 | 111.1 | L128 L134 F135 V161 S164 L165 L169 | L128-I132 HydrophobicContact CG-CD1 4.36Å; L128-I132 WeakPolarHBondContact O-CG1 3.4Å; L128-I132 PolarHBondContact O-N 2.62Å; L128-I132 VanDerWaalsContact O-N 3.1Å; I132-L134 PolarHBondContact O-N 3Å; I132-L134 VanDerWaalsContact O-N 3.08Å; I132-F135 WeakPolarHBondContact O-CB 3.49Å; I132-F135 PolarHBondContact O-N 3.26Å; I132-V161 HydrophobicContact CG1-CG1 4.36Å; I132-S164 WeakPolarHBondContact CD1-O 3.41Å; I132-L165 HydrophobicContact CB-CD2 4.46Å; I132-L165 HydrophobicContact CG1-CD2 4.18Å; I132-L165 HydrophobicContact CG2-CD2 3.92Å; I132-L169 HydrophobicContact CG2-CD1 3.76Å |
| 133 | K | 81.9 | Confident | 83.6 | Confident | 150 Ų | 150 | 43.8 Ų | 43.8 | 65% | 0.652 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -64.4 | -12.2 | 177.8 | -71 | -175.1 | 178.9 | -163.7 | 0 | 115.2 | R129 Q130 K131 | R129-K133 WeakPolarHBondContact O-CG 3.39Å; R129-K133 PolarHBondContact O-N 3.27Å; Q130-K133 PolarHBondContact O-N 3.49Å; K131-K133 PolarHBondContact O-N 2.69Å |
| 134 | L | 83.7 | Confident | 83.1 | Confident | 8 Ų | 8 | 48.4 Ų | 48.4 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -7.4 | 175.2 | -76.1 | 162.6 | 0 | 0 | 0 | 113.4 | V95 H96 F123 L126 Q130 K131 I132 V137 L138 | V95-L134 HydrophobicContact CG1-CD1 4.09Å; H96-L134 HydrophobicContact CB-CD2 4.35Å; F123-L134 HydrophobicContact CD2-CD1 4.3Å; F123-L134 HydrophobicContact CE2-CB 4.06Å; F123-L134 HydrophobicContact CE2-CD1 4.32Å; L126-L134 HydrophobicContact CD1-CD1 3.43Å; L126-L134 VanDerWaalsContact CD1-CD1 3.43Å; Q130-L134 PolarHBondContact O-N 2.75Å; K131-L134 PolarHBondContact O-N 3.48Å; I132-L134 PolarHBondContact O-N 3Å; I132-L134 VanDerWaalsContact O-N 3.08Å; L134-V137 PolarHBondContact O-N 3.25Å; L134-L138 HydrophobicContact CB-CD1 4.48Å; L134-L138 WeakPolarHBondContact O-CB 3.46Å; L134-L138 PolarHBondContact O-N 3.32Å |
| 135 | F | 82.1 | Confident | 82.7 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.009 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.2 | -50 | -178.5 | -94.6 | -137.1 | 0 | 0 | 0 | 113.8 | F123 K131 I132 V137 L138 F139 V158 V161 L165 | F123-F135 HydrophobicContact CZ-CD2 4.39Å; F123-F135 HydrophobicContact CZ-CE2 4.09Å; K131-F135 WeakPolarHBondContact O-CD2 3.4Å; K131-F135 PolarHBondContact O-N 3.36Å; I132-F135 WeakPolarHBondContact O-CB 3.49Å; I132-F135 PolarHBondContact O-N 3.26Å; F135-V137 VanDerWaalsContact C-N 3.28Å; F135-V137 PolarHBondContact O-N 3.48Å; F135-L138 PolarHBondContact O-N 3.02Å; F135-L138 VanDerWaalsContact O-N 3.16Å; F135-F139 HydrophobicContact CB-CD2 4.4Å; F135-F139 HydrophobicContact CB-CE2 4.11Å; F135-F139 AromaticContact CD1-CE2 3.65Å; F135-F139 HydrophobicContact CD1-CE2 3.65Å; F135-F139 HydrophobicContact CD1-CZ 4.04Å; F135-F139 HydrophobicContact CE1-CE2 4.44Å; F135-F139 HydrophobicContact CE1-CZ 4.4Å; F135-F139 HydrophobicContact CG-CE2 4.18Å; F135-F139 WeakPolarHBondContact O-CD2 3.48Å; F135-F139 PolarHBondContact O-N 3.21Å; F135-V158 HydrophobicContact CE1-CG1 3.78Å; F135-V158 HydrophobicContact CE2-CG2 4.36Å; F135-V158 HydrophobicContact CZ-CB 4.32Å; F135-V158 HydrophobicContact CZ-CG1 3.82Å; F135-V158 HydrophobicContact CZ-CG2 4.26Å; F135-V161 HydrophobicContact CE2-CB 3.93Å; F135-V161 HydrophobicContact CE2-CG1 3.61Å; F135-V161 HydrophobicContact CZ-CB 3.75Å; F135-V161 HydrophobicContact CZ-CG1 3.68Å; F135-L165 HydrophobicContact CD1-CD1 4Å; F135-L165 HydrophobicContact CD1-CD2 3.74Å; F135-L165 HydrophobicContact CD1-CG 4.28Å; F135-L165 HydrophobicContact CE1-CD1 3.81Å; F135-L165 HydrophobicContact CE1-CD2 3.92Å; F135-L165 HydrophobicContact CE1-CG 4.03Å; F135-L165 HydrophobicContact CG-CD2 4.25Å |
| 136 | P | 78.9 | Confident | 82.6 | Confident | 28 Ų | 28 | 48.4 Ų | 48.4 | 18% | 0.182 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.4 | -41.8 | -179.8 | -24.1 | 33.9 | 0 | 0 | 0 | 112.3 | F139 A140 L169 F176 | P136-F139 PolarHBondContact O-N 3.15Å; P136-A140 WeakPolarHBondContact O-CB 3.4Å; P136-A140 PolarHBondContact O-N 3.46Å; P136-L169 HydrophobicContact CG-CD2 4.23Å; P136-F176 HydrophobicContact CB-CE2 4.31Å; P136-F176 HydrophobicContact CG-CE2 4.13Å |
| 137 | V | 81.8 | Confident | 82.3 | Confident | 43 Ų | 43 | 51.4 Ų | 51.4 | 26% | 0.261 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68.7 | -38 | 179.4 | -158.2 | 0 | 0 | 0 | 0 | 111.4 | L99 L134 F135 A140 S141 | L99-V137 HydrophobicContact CD2-CB 3.83Å; L99-V137 HydrophobicContact CD2-CG1 3.62Å; L134-V137 PolarHBondContact O-N 3.25Å; F135-V137 VanDerWaalsContact C-N 3.28Å; F135-V137 PolarHBondContact O-N 3.48Å; V137-A140 PolarHBondContact O-N 3.41Å; V137-S141 PolarHBondContact O-N 3.23Å; V137-S141 PolarHBondContact O-OG 3.08Å |
| 138 | L | 84.5 | Confident | 82.2 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66 | -35.8 | 174.7 | -86.1 | 169.3 | 0 | 0 | 0 | 113.3 | L99 F123 L134 F135 S141 L154 | L99-L138 HydrophobicContact CD1-CD2 4.05Å; L99-L138 HydrophobicContact CD1-CG 4.4Å; L99-L138 HydrophobicContact CD2-CD2 4.13Å; L99-L138 HydrophobicContact CD2-CG 4.09Å; F123-L138 HydrophobicContact CD2-CD1 3.93Å; F123-L138 HydrophobicContact CE1-CD1 4.37Å; F123-L138 HydrophobicContact CE2-CD1 3.4Å; F123-L138 VanDerWaalsContact CE2-CD1 3.4Å; F123-L138 HydrophobicContact CZ-CD1 3.64Å; L134-L138 HydrophobicContact CB-CD1 4.48Å; L134-L138 WeakPolarHBondContact O-CB 3.46Å; L134-L138 PolarHBondContact O-N 3.32Å; F135-L138 PolarHBondContact O-N 3.02Å; F135-L138 VanDerWaalsContact O-N 3.16Å; L138-S141 WeakPolarHBondContact O-CB 3.45Å; L138-L154 HydrophobicContact CD2-CD2 3.93Å |
| 139 | F | 85.2 | Confident | 82.2 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 1% | 0.013 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -75.4 | -37.9 | 174.6 | -66.4 | -57.9 | 0 | 0 | 0 | 111.6 | F135 P136 S141 L142 L155 V158 F176 Q182 I186 F249 | F135-F139 HydrophobicContact CB-CD2 4.4Å; F135-F139 HydrophobicContact CB-CE2 4.11Å; F135-F139 AromaticContact CD1-CE2 3.65Å; F135-F139 HydrophobicContact CD1-CE2 3.65Å; F135-F139 HydrophobicContact CD1-CZ 4.04Å; F135-F139 HydrophobicContact CE1-CE2 4.44Å; F135-F139 HydrophobicContact CE1-CZ 4.4Å; F135-F139 HydrophobicContact CG-CE2 4.18Å; F135-F139 WeakPolarHBondContact O-CD2 3.48Å; F135-F139 PolarHBondContact O-N 3.21Å; P136-F139 PolarHBondContact O-N 3.15Å; F139-S141 PolarHBondContact O-N 3.31Å; F139-L142 HydrophobicContact CD1-CD1 3.94Å; F139-L142 WeakPolarHBondContact O-CB 3.48Å; F139-L142 WeakPolarHBondContact O-CG 3.34Å; F139-L142 PolarHBondContact O-N 3.33Å; F139-L142 VanDerWaalsContact O-N 3.08Å; F139-L155 HydrophobicContact CD1-CD2 4.31Å; F139-L155 HydrophobicContact CE1-CD2 4.01Å; F139-V158 HydrophobicContact CE1-CG1 4.28Å; F139-V158 HydrophobicContact CE1-CG2 4.38Å; F139-V158 HydrophobicContact CZ-CG1 3.99Å; F139-V158 HydrophobicContact CZ-CG2 4.44Å; F139-F176 HydrophobicContact CB-CE1 4.39Å; F139-F176 AromaticContact CD2-CE1 3.37Å; F139-F176 HydrophobicContact CD2-CE1 3.37Å; F139-F176 AromaticContact CD2-CZ 3.49Å; F139-F176 HydrophobicContact CD2-CZ 3.49Å; F139-F176 VanDerWaalsContact CD2-CZ 3.49Å; F139-F176 AromaticContact CE2-CE1 3.81Å; F139-F176 HydrophobicContact CE2-CE1 3.81Å; F139-F176 AromaticContact CE2-CZ 3.84Å; F139-F176 HydrophobicContact CE2-CZ 3.84Å; F139-F176 HydrophobicContact CG-CE1 4.11Å; F139-Q182 WeakPolarHBondContact O-CG 3.35Å; F139-I186 HydrophobicContact CB-CD1 4.28Å; F139-I186 HydrophobicContact CD1-CD1 3.38Å; F139-I186 HydrophobicContact CD1-CG1 3.96Å; F139-I186 HydrophobicContact CE1-CD1 3.87Å; F139-I186 HydrophobicContact CE1-CG1 4.18Å; F139-I186 HydrophobicContact CG-CD1 4Å; F139-F249 HydrophobicContact CZ-CZ 4.5Å |
| 140 | A | 82.2 | Confident | 82.4 | Confident | 39 Ų | 39 | 39.3 Ų | 39.3 | 32% | 0.322 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.4 | -33.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P136 V137 L142 L179 | P136-A140 WeakPolarHBondContact O-CB 3.4Å; P136-A140 PolarHBondContact O-N 3.46Å; V137-A140 PolarHBondContact O-N 3.41Å; A140-L142 PolarHBondContact O-N 3.01Å; A140-L142 VanDerWaalsContact O-N 3.09Å; A140-L179 HydrophobicContact CB-CD1 4.29Å |
| 141 | S | 85.2 | Confident | 82.5 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -4.3 | 172.9 | -66.6 | 0 | 0 | 0 | 0 | 115.7 | N103 V137 L138 F139 S143 | N103-S141 VanDerWaalsContact CG-OG 3.24Å; N103-S141 PolarHBondContact ND2-OG 2.81Å; N103-S141 WeakPolarHBondContact OD1-CB 3.23Å; N103-S141 PolarHBondContact OD1-OG 3.35Å; V137-S141 PolarHBondContact O-N 3.23Å; V137-S141 PolarHBondContact O-OG 3.08Å; L138-S141 WeakPolarHBondContact O-CB 3.45Å; F139-S141 PolarHBondContact O-N 3.31Å; S141-S143 PolarHBondContact O-N 3.28Å; S141-S143 VanDerWaalsContact O-N 3.17Å |
| 142 | L | 84.5 | Confident | 82.6 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | trans | -85.7 | 33.6 | -179.8 | -57.9 | 174 | 0 | 0 | 0 | 113.3 | F139 A140 R151 L154 L155 Q182 Y185 I186 | F139-L142 HydrophobicContact CD1-CD1 3.94Å; F139-L142 WeakPolarHBondContact O-CB 3.48Å; F139-L142 WeakPolarHBondContact O-CG 3.34Å; F139-L142 PolarHBondContact O-N 3.33Å; F139-L142 VanDerWaalsContact O-N 3.08Å; A140-L142 PolarHBondContact O-N 3.01Å; A140-L142 VanDerWaalsContact O-N 3.09Å; L142-R151 HydrophobicContact CD2-CB 3.95Å; L142-R151 HydrophobicContact CD2-CG 4.2Å; L142-L154 HydrophobicContact CD2-CB 4.17Å; L142-L154 HydrophobicContact CD2-CD1 4.3Å; L142-L155 HydrophobicContact CD1-CD1 4.48Å; L142-L155 HydrophobicContact CD1-CD2 3.74Å; L142-L155 HydrophobicContact CD1-CG 4.19Å; L142-L155 HydrophobicContact CD2-CG 4.28Å; L142-Q182 HydrophobicContact CB-CB 4.24Å; L142-Q182 HydrophobicContact CB-CG 3.89Å; L142-Y185 HydrophobicContact CD1-CD1 4.44Å; L142-I186 HydrophobicContact CD1-CD1 4.08Å; L142-I186 HydrophobicContact CD1-CG1 3.76Å | ||
| 143 | S | 80.7 | Confident | 82.9 | Confident | 32 Ų | 32 | 33.9 Ų | 33.9 | 22% | 0.224 | 19% | 0.19 | C | C | . | . | trans | -68.1 | 152 | 179.3 | 53 | 0 | 0 | 0 | 0 | 113.1 | S141 D145 K146 R151 | S141-S143 PolarHBondContact O-N 3.28Å; S141-S143 VanDerWaalsContact O-N 3.17Å; S143-D145 VanDerWaalsContact C-N 3.28Å; S143-D145 WeakPolarHBondContact CB-OD1 3.39Å; S143-D145 PolarHBondContact O-N 3.44Å; S143-D145 PolarHBondContact OG-OD1 3.18Å; S143-K146 PolarHBondContact O-N 3.41Å; S143-K146 VanDerWaalsContact O-N 3.17Å; S143-R151 WeakPolarHBondContact O-CD 3.45Å; S143-R151 PolarHBondContact O-NE 3.33Å | ||
| 144 | D | 77.2 | Confident | 83.2 | Confident | 100 Ų | 100 | 26.9 Ų | 26.9 | 54% | 0.535 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -22.4 | -170.3 | -160.1 | 27.3 | 0 | 0 | 0 | 113.9 | K146 R151 Y181 | D144-K146 PolarHBondContact O-N 3.33Å; D144-R151 PolarHBondContact O-NH2 3.45Å; D144-R151 IonicContact OD1-CZ 3.76Å; D144-R151 IonicContact OD1-NH1 3.66Å; D144-R151 IonicContact OD1-NH2 2.71Å; D144-R151 PolarHBondContact OD1-NH2 2.89Å; D144-Y181 HydrophobicContact CB-CE1 4.22Å; D144-Y181 HydrophobicContact CB-CE2 4.05Å; D144-Y181 PolarHBondContact OD1-OH 3.37Å |
| 145 | D | 76.5 | Confident | 83.4 | Confident | 105 Ų | 105 | 26.6 Ų | 26.6 | 56% | 0.561 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -24.3 | 173.5 | 75.5 | -55 | 0 | 0 | 0 | 113 | S143 | S143-D145 VanDerWaalsContact C-N 3.28Å; S143-D145 WeakPolarHBondContact CB-OD1 3.39Å; S143-D145 PolarHBondContact O-N 3.44Å; S143-D145 PolarHBondContact OG-OD1 3.18Å |
| 146 | K | 84.8 | Confident | 83.8 | Confident | 8 Ų | 8 | 26.5 Ų | 26.5 | 4% | 0.035 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -79.9 | 137.5 | 177.7 | -48.7 | -51.1 | 178.9 | -153.8 | 0 | 110.2 | Y102 V112 S143 D144 R151 | Y102-K146 HydrophobicContact CE1-CD 4.11Å; Y102-K146 HydrophobicContact CE1-CG 4.15Å; Y102-K146 HydrophobicContact CE2-CD 4.48Å; Y102-K146 PolarHBondContact O-NZ 2.91Å; Y102-K146 VanDerWaalsContact O-NZ 3.11Å; Y102-K146 WeakPolarHBondContact OH-CG 3.43Å; V112-K146 HydrophobicContact CG1-CD 4.46Å; S143-K146 PolarHBondContact O-N 3.41Å; S143-K146 VanDerWaalsContact O-N 3.17Å; D144-K146 PolarHBondContact O-N 3.33Å; K146-R151 HydrophobicContact CB-CG 3.95Å; K146-R151 VanDerWaalsContact O-CZ 3.3Å; K146-R151 PolarHBondContact O-NE 3.4Å; K146-R151 PolarHBondContact O-NH2 3.5Å |
| 147 | P | 81.2 | Confident | 84.2 | Confident | 71 Ų | 71 | 25.7 Ų | 25.7 | 46% | 0.461 | 15% | 0.152 | S | C | . | . | trans | -65.5 | 143.4 | 177.1 | 27.6 | -34.6 | 0 | 0 | 0 | 111.3 | C149 Q150 R151 | P147-C149 VanDerWaalsContact C-N 3.25Å; P147-C149 PolarHBondContact O-N 2.98Å; P147-C149 VanDerWaalsContact O-N 3.08Å; P147-Q150 HydrophobicContact CG-CB 4.25Å; P147-Q150 HydrophobicContact CG-CG 3.86Å; P147-Q150 WeakPolarHBondContact O-CB 3.09Å; P147-Q150 PolarHBondContact O-N 3.48Å; P147-R151 PolarHBondContact O-N 2.9Å | ||
| 148 | I | 82.2 | Confident | 84.4 | Confident | 22 Ų | 22 | 23.7 Ų | 23.7 | 11% | 0.113 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -51.3 | -39.8 | -171.8 | -169 | 146.1 | 0 | 0 | 0 | 113.9 | Q150 R151 D152 Y185 F220 | I148-Q150 VanDerWaalsContact C-N 3.27Å; I148-Q150 PolarHBondContact O-N 3.47Å; I148-R151 PolarHBondContact O-N 3.39Å; I148-R151 VanDerWaalsContact O-N 3.12Å; I148-D152 WeakPolarHBondContact O-CB 3.44Å; I148-D152 PolarHBondContact O-N 3.36Å; I148-Y185 HydrophobicContact CD1-CE2 4.15Å; I148-Y185 HydrophobicContact CG1-CE2 4.31Å; I148-Y185 PolarHBondContact O-OH 3.46Å; I148-F220 HydrophobicContact CD1-CZ 4.4Å; I148-F220 HydrophobicContact CG2-CZ 4.38Å |
| 149 | C | 80.7 | Confident | 84.6 | Confident | 59 Ų | 59 | 23.7 Ų | 23.7 | 40% | 0.399 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -64.6 | -29.2 | 179.6 | -42.5 | 0 | 0 | 0 | 0 | 113 | P147 G153 F230 | P147-C149 VanDerWaalsContact C-N 3.25Å; P147-C149 PolarHBondContact O-N 2.98Å; P147-C149 VanDerWaalsContact O-N 3.08Å; C149-G153 PolarHBondContact O-N 3.39Å; C149-F230 HydrophobicContact CB-CE2 3.92Å; C149-F230 WeakPolarHBondContact O-CD2 3.44Å; C149-F230 WeakPolarHBondContact O-CE2 3.42Å |
| 150 | Q | 86.3 | Confident | 84.5 | Confident | 19 Ų | 19 | 26.9 Ų | 26.9 | 9% | 0.089 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -74.9 | -40.2 | 173.3 | -70.3 | -178.8 | 8.7 | 0 | 0 | 111.3 | Y102 N113 H116 P147 I148 G153 L154 | Y102-Q150 PolarHBondContact OH-OE1 2.91Å; N113-Q150 PolarHBondContact OD1-NE2 3Å; H116-Q150 PolarHBondContact CE1-O 2.74Å; P147-Q150 HydrophobicContact CG-CB 4.25Å; P147-Q150 HydrophobicContact CG-CG 3.86Å; P147-Q150 WeakPolarHBondContact O-CB 3.09Å; P147-Q150 PolarHBondContact O-N 3.48Å; I148-Q150 VanDerWaalsContact C-N 3.27Å; I148-Q150 PolarHBondContact O-N 3.47Å; Q150-G153 CarbonylContact O-C 3.43Å; Q150-G153 WeakPolarHBondContact O-CA 3.42Å; Q150-G153 PolarHBondContact O-N 3.19Å; Q150-G153 VanDerWaalsContact O-N 3.16Å; Q150-L154 WeakPolarHBondContact O-CG 3.43Å; Q150-L154 PolarHBondContact O-N 2.91Å |
| 151 | R | 87.5 | Confident | 84.6 | Confident | 13 Ų | 13 | 25.4 Ų | 25.4 | 5% | 0.049 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.3 | -48.1 | 175.9 | -69.5 | -173 | -99.3 | 161.7 | -23.2 | 111.5 | L142 S143 D144 K146 P147 I148 G153 L154 L155 Y181 Y185 | L142-R151 HydrophobicContact CD2-CB 3.95Å; L142-R151 HydrophobicContact CD2-CG 4.2Å; S143-R151 WeakPolarHBondContact O-CD 3.45Å; S143-R151 PolarHBondContact O-NE 3.33Å; D144-R151 PolarHBondContact O-NH2 3.45Å; D144-R151 IonicContact OD1-CZ 3.76Å; D144-R151 IonicContact OD1-NH1 3.66Å; D144-R151 IonicContact OD1-NH2 2.71Å; D144-R151 PolarHBondContact OD1-NH2 2.89Å; K146-R151 HydrophobicContact CB-CG 3.95Å; K146-R151 VanDerWaalsContact O-CZ 3.3Å; K146-R151 PolarHBondContact O-NE 3.4Å; K146-R151 PolarHBondContact O-NH2 3.5Å; P147-R151 PolarHBondContact O-N 2.9Å; I148-R151 PolarHBondContact O-N 3.39Å; I148-R151 VanDerWaalsContact O-N 3.12Å; R151-G153 VanDerWaalsContact C-N 3.27Å; R151-G153 PolarHBondContact O-N 3.1Å; R151-L154 PolarHBondContact O-N 2.78Å; R151-L154 VanDerWaalsContact O-N 3.16Å; R151-L155 PolarHBondContact O-N 3.34Å; R151-Y181 PolarHBondContact NH1-OH 2.82Å; R151-Y185 HydrophobicContact CB-CE1 3.64Å; R151-Y185 VanDerWaalsContact CB-OH 3.23Å; R151-Y185 WeakPolarHBondContact CB-OH 3.39Å |
| 152 | D | 87.5 | Confident | 84.5 | Confident | 6 Ų | 6 | 25.5 Ų | 25.5 | 3% | 0.032 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.8 | -41.8 | 169.6 | -69.8 | -38.2 | 0 | 0 | 0 | 111.2 | I148 L154 L155 H156 Y185 F189 R224 | I148-D152 WeakPolarHBondContact O-CB 3.44Å; I148-D152 PolarHBondContact O-N 3.36Å; D152-L154 VanDerWaalsContact C-N 3.31Å; D152-L154 PolarHBondContact O-N 3.37Å; D152-L155 PolarHBondContact O-N 3.06Å; D152-H156 PolarHBondContact O-CD2 3.36Å; D152-H156 VanDerWaalsContact O-CD2 3.24Å; D152-H156 PolarHBondContact O-N 3.11Å; D152-Y185 PolarHBondContact N-OH 3.47Å; D152-Y185 PolarHBondContact OD1-OH 3.03Å; D152-F189 HydrophobicContact CB-CE2 4.01Å; D152-F189 WeakPolarHBondContact OD1-CD2 3.34Å; D152-F189 WeakPolarHBondContact OD1-CE2 3.13Å; D152-R224 IonicContact OD1-CZ 3.85Å; D152-R224 VanDerWaalsContact OD1-CZ 3.3Å; D152-R224 IonicContact OD1-NE 2.9Å; D152-R224 PolarHBondContact OD1-NE 3.1Å; D152-R224 VanDerWaalsContact OD1-NE 3.08Å; D152-R224 IonicContact OD1-NH2 3.25Å; D152-R224 PolarHBondContact OD1-NH2 3.12Å; D152-R224 WeakPolarHBondContact OD2-CG 3.31Å; D152-R224 IonicContact OD2-CZ 3.43Å; D152-R224 IonicContact OD2-NE 3.49Å; D152-R224 PolarHBondContact OD2-NE 3.39Å; D152-R224 IonicContact OD2-NH2 3.67Å |
| 153 | G | 85.3 | Confident | 84 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.3 | -25.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115 | C149 Q150 R151 | C149-G153 PolarHBondContact O-N 3.39Å; Q150-G153 CarbonylContact O-C 3.43Å; Q150-G153 WeakPolarHBondContact O-CA 3.42Å; Q150-G153 PolarHBondContact O-N 3.19Å; Q150-G153 VanDerWaalsContact O-N 3.16Å; R151-G153 VanDerWaalsContact C-N 3.27Å; R151-G153 PolarHBondContact O-N 3.1Å |
| 154 | L | 88.6 | Confident | 83.6 | Confident | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -79.8 | -39.8 | 169.7 | -67.2 | -179.4 | 0 | 0 | 0 | 111.2 | Y102 I119 L138 L142 Q150 R151 D152 H156 L157 V158 | Y102-L154 HydrophobicContact CE1-CD1 4.01Å; I119-L154 HydrophobicContact CG2-CD2 4.09Å; L138-L154 HydrophobicContact CD2-CD2 3.93Å; L142-L154 HydrophobicContact CD2-CB 4.17Å; L142-L154 HydrophobicContact CD2-CD1 4.3Å; Q150-L154 WeakPolarHBondContact O-CG 3.43Å; Q150-L154 PolarHBondContact O-N 2.91Å; R151-L154 PolarHBondContact O-N 2.78Å; R151-L154 VanDerWaalsContact O-N 3.16Å; D152-L154 VanDerWaalsContact C-N 3.31Å; D152-L154 PolarHBondContact O-N 3.37Å; L154-H156 VanDerWaalsContact C-N 3.33Å; L154-H156 PolarHBondContact O-N 3.15Å; L154-L157 HydrophobicContact CD2-CD1 4.15Å; L154-L157 WeakPolarHBondContact O-CB 3.24Å; L154-L157 PolarHBondContact O-N 2.99Å; L154-L157 VanDerWaalsContact O-N 3.09Å; L154-V158 PolarHBondContact O-N 2.91Å |
| 155 | L | 89 | Confident | 83.1 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.4 | -33.9 | 176.6 | -68.9 | 177.7 | 0 | 0 | 0 | 112.8 | F139 L142 R151 D152 L157 V158 L159 Y185 I186 F189 | F139-L155 HydrophobicContact CD1-CD2 4.31Å; F139-L155 HydrophobicContact CE1-CD2 4.01Å; L142-L155 HydrophobicContact CD1-CD1 4.48Å; L142-L155 HydrophobicContact CD1-CD2 3.74Å; L142-L155 HydrophobicContact CD1-CG 4.19Å; L142-L155 HydrophobicContact CD2-CG 4.28Å; R151-L155 PolarHBondContact O-N 3.34Å; D152-L155 PolarHBondContact O-N 3.06Å; L155-L157 VanDerWaalsContact C-N 3.29Å; L155-L157 PolarHBondContact O-N 3.2Å; L155-V158 WeakPolarHBondContact O-CB 3.14Å; L155-V158 PolarHBondContact O-N 3.38Å; L155-V158 VanDerWaalsContact O-N 3.11Å; L155-L159 PolarHBondContact O-N 3.34Å; L155-Y185 HydrophobicContact CD1-CD1 3.93Å; L155-Y185 HydrophobicContact CD1-CE1 3.59Å; L155-I186 HydrophobicContact CD2-CG1 4.08Å; L155-F189 HydrophobicContact CB-CD1 3.8Å; L155-F189 HydrophobicContact CB-CD2 4.28Å; L155-F189 HydrophobicContact CB-CE1 3.62Å; L155-F189 HydrophobicContact CB-CE2 4.11Å; L155-F189 HydrophobicContact CB-CG 4.14Å; L155-F189 HydrophobicContact CB-CZ 3.78Å; L155-F189 HydrophobicContact CD1-CB 3.54Å; L155-F189 HydrophobicContact CD1-CD1 3.8Å; L155-F189 HydrophobicContact CD1-CD2 3.81Å; L155-F189 HydrophobicContact CD1-CE1 4.45Å; L155-F189 HydrophobicContact CD1-CE2 4.44Å; L155-F189 HydrophobicContact CD1-CG 3.44Å; L155-F189 VanDerWaalsContact CD1-CG 3.44Å; L155-F189 HydrophobicContact CG-CD1 4.38Å; L155-F189 HydrophobicContact CG-CG 4.42Å |
| 156 | H | 89.2 | Confident | 82.2 | Confident | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.4 | -32.9 | 170.3 | -84.4 | -70 | 0 | 0 | 0 | 113.2 | D152 L154 V158 P160 F189 R224 M225 F230 C232 | D152-H156 PolarHBondContact O-CD2 3.36Å; D152-H156 VanDerWaalsContact O-CD2 3.24Å; D152-H156 PolarHBondContact O-N 3.11Å; L154-H156 VanDerWaalsContact C-N 3.33Å; L154-H156 PolarHBondContact O-N 3.15Å; H156-V158 VanDerWaalsContact C-N 3.27Å; H156-V158 PolarHBondContact O-N 3.47Å; H156-P160 WeakPolarHBondContact O-CD 3.24Å; H156-F189 AromaticContact CD2-CZ 3.88Å; H156-F189 AromaticContact NE2-CZ 3.79Å; H156-R224 PolarHBondContact NE2-O 3.31Å; H156-M225 PolarHBondContact CE1-O 2.68Å; H156-F230 WeakPolarHBondContact CB-O 3.44Å; H156-C232 PolarHBondContact ND1-N 3.49Å; H156-C232 PolarHBondContact O-SG 3.06Å |
| 157 | L | 87.9 | Confident | 80.7 | Confident | 11 Ų | 11 | 30.6 Ų | 30.6 | 6% | 0.058 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.1 | -27.9 | 173.9 | -63.9 | 175.6 | 0 | 0 | 0 | 112.9 | I119 R120 F123 P124 L154 L155 P160 | I119-L157 HydrophobicContact CG2-CD1 4.11Å; R120-L157 HydrophobicContact CB-CD2 4.37Å; R120-L157 HydrophobicContact CG-CD1 3.9Å; R120-L157 HydrophobicContact CG-CD2 4.21Å; R120-L157 HydrophobicContact CG-CG 4.21Å; F123-L157 HydrophobicContact CB-CD1 4.14Å; F123-L157 HydrophobicContact CD1-CB 3.87Å; F123-L157 HydrophobicContact CD1-CD1 4.31Å; F123-L157 HydrophobicContact CD1-CG 4.49Å; F123-L157 HydrophobicContact CE1-CB 4.21Å; F123-L157 HydrophobicContact CG-CD1 4.39Å; P124-L157 HydrophobicContact CG-CD2 4.01Å; L154-L157 HydrophobicContact CD2-CD1 4.15Å; L154-L157 WeakPolarHBondContact O-CB 3.24Å; L154-L157 PolarHBondContact O-N 2.99Å; L154-L157 VanDerWaalsContact O-N 3.09Å; L155-L157 VanDerWaalsContact C-N 3.29Å; L155-L157 PolarHBondContact O-N 3.2Å; L157-P160 WeakPolarHBondContact O-CD 3.21Å |
| 158 | V | 86.4 | Confident | 79.2 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -75.6 | -40.1 | -178.4 | 161.7 | 0 | 0 | 0 | 0 | 110.9 | F135 F139 L154 L155 H156 P160 V161 V162 F190 | F135-V158 HydrophobicContact CE1-CG1 3.78Å; F135-V158 HydrophobicContact CE2-CG2 4.36Å; F135-V158 HydrophobicContact CZ-CB 4.32Å; F135-V158 HydrophobicContact CZ-CG1 3.82Å; F135-V158 HydrophobicContact CZ-CG2 4.26Å; F139-V158 HydrophobicContact CE1-CG1 4.28Å; F139-V158 HydrophobicContact CE1-CG2 4.38Å; F139-V158 HydrophobicContact CZ-CG1 3.99Å; F139-V158 HydrophobicContact CZ-CG2 4.44Å; L154-V158 PolarHBondContact O-N 2.91Å; L155-V158 WeakPolarHBondContact O-CB 3.14Å; L155-V158 PolarHBondContact O-N 3.38Å; L155-V158 VanDerWaalsContact O-N 3.11Å; H156-V158 VanDerWaalsContact C-N 3.27Å; H156-V158 PolarHBondContact O-N 3.47Å; V158-P160 VanDerWaalsContact O-N 3.16Å; V158-V161 PolarHBondContact O-N 2.84Å; V158-V162 HydrophobicContact CG1-CG2 3.56Å; V158-V162 VanDerWaalsContact O-CG2 3.32Å; V158-V162 WeakPolarHBondContact O-CG2 3.34Å; V158-V162 PolarHBondContact O-N 2.86Å; V158-V162 VanDerWaalsContact O-N 3.13Å; V158-F190 HydrophobicContact CG1-CZ 4.45Å |
| 159 | L | 87.9 | Confident | 77.8 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.3 | -46.8 | -174.8 | -67.3 | 178.2 | 0 | 0 | 0 | 115.4 | L155 V161 F189 F190 V193 I233 Y242 I246 | L155-L159 PolarHBondContact O-N 3.34Å; L159-V161 PolarHBondContact O-N 2.75Å; L159-F189 HydrophobicContact CD1-CE1 4.38Å; L159-F189 HydrophobicContact CD2-CE1 4.47Å; L159-F190 HydrophobicContact CD2-CD1 4.25Å; L159-F190 HydrophobicContact CD2-CE1 3.86Å; L159-V193 HydrophobicContact CD1-CG2 4.49Å; L159-V193 HydrophobicContact CD2-CG2 4.41Å; L159-I233 HydrophobicContact CD1-CD1 4.14Å; L159-I233 HydrophobicContact CD1-CG1 4.18Å; L159-Y242 HydrophobicContact CB-CD1 4.29Å; L159-Y242 HydrophobicContact CB-CD2 4.34Å; L159-Y242 HydrophobicContact CB-CG 4.17Å; L159-Y242 HydrophobicContact CD1-CD2 4.46Å; L159-Y242 WeakPolarHBondContact O-CD1 3.27Å; L159-I246 HydrophobicContact CD2-CD1 3.85Å; L159-I246 HydrophobicContact CD2-CG1 4.35Å |
| 160 | P | 84.6 | Confident | 76.4 | Confident | 69 Ų | 69 | 32.8 Ų | 32.8 | 45% | 0.448 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -3.2 | -178.2 | -15.2 | 32.4 | 0 | 0 | 0 | 114.8 | H156 L157 V158 C232 Y242 | H156-P160 WeakPolarHBondContact O-CD 3.24Å; L157-P160 WeakPolarHBondContact O-CD 3.21Å; V158-P160 VanDerWaalsContact O-N 3.16Å; P160-C232 HydrophobicContact CG-CB 4.18Å; P160-Y242 HydrophobicContact CB-CE1 4.05Å; P160-Y242 HydrophobicContact CG-CE1 4.13Å |
| 161 | V | 83.5 | Confident | 74.7 | Confident | 9 Ų | 9 | 36.4 Ų | 36.4 | 6% | 0.055 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | -19.5 | -174.4 | -176.2 | 0 | 0 | 0 | 0 | 111.9 | F123 L128 K131 I132 F135 V158 L159 D163 S164 | F123-V161 HydrophobicContact CE1-CG2 4.46Å; L128-V161 HydrophobicContact CD1-CG1 4.14Å; K131-V161 HydrophobicContact CB-CG1 4.18Å; K131-V161 HydrophobicContact CD-CG2 4.01Å; I132-V161 HydrophobicContact CG1-CG1 4.36Å; F135-V161 HydrophobicContact CE2-CB 3.93Å; F135-V161 HydrophobicContact CE2-CG1 3.61Å; F135-V161 HydrophobicContact CZ-CB 3.75Å; F135-V161 HydrophobicContact CZ-CG1 3.68Å; V158-V161 PolarHBondContact O-N 2.84Å; L159-V161 PolarHBondContact O-N 2.75Å; V161-D163 VanDerWaalsContact C-N 3.34Å; V161-D163 PolarHBondContact O-N 3.4Å; V161-S164 PolarHBondContact O-N 3.17Å; V161-S164 PolarHBondContact O-OG 3.01Å |
| 162 | V | 82.7 | Confident | 72.8 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -47.2 | -50.9 | -177 | -177.5 | 0 | 0 | 0 | 0 | 113.3 | V158 S164 L165 G245 F249 | V158-V162 HydrophobicContact CG1-CG2 3.56Å; V158-V162 VanDerWaalsContact O-CG2 3.32Å; V158-V162 WeakPolarHBondContact O-CG2 3.34Å; V158-V162 PolarHBondContact O-N 2.86Å; V158-V162 VanDerWaalsContact O-N 3.13Å; V162-S164 VanDerWaalsContact C-N 3.25Å; V162-S164 PolarHBondContact O-N 3.39Å; V162-L165 WeakPolarHBondContact O-CG 3.33Å; V162-L165 PolarHBondContact O-N 2.98Å; V162-G245 VanDerWaalsContact CG1-O 3.31Å; V162-G245 WeakPolarHBondContact CG1-O 3.44Å; V162-F249 HydrophobicContact CG1-CB 3.42Å; V162-F249 VanDerWaalsContact CG1-CB 3.42Å; V162-F249 HydrophobicContact CG1-CD2 4.26Å; V162-F249 HydrophobicContact CG1-CG 3.89Å |
| 163 | D | 75.1 | Confident | 71.2 | Confident | 88 Ų | 88 | 46 Ų | 46 | 47% | 0.471 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -59.4 | -37.5 | -177.9 | -168.8 | 55 | 0 | 0 | 0 | 112.4 | V161 L165 R252 | V161-D163 VanDerWaalsContact C-N 3.34Å; V161-D163 PolarHBondContact O-N 3.4Å; D163-L165 VanDerWaalsContact C-N 3.32Å; D163-L165 PolarHBondContact O-N 2.85Å; D163-R252 PolarHBondContact O-NH2 3.16Å; D163-R252 VanDerWaalsContact O-NH2 3.15Å |
| 164 | S | 71.9 | Confident | 69.4 | Low | 37 Ų | 37 | 49.7 Ų | 49.7 | 26% | 0.259 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -83.4 | 1.7 | -172.6 | 69.9 | 0 | 0 | 0 | 0 | 115.6 | I132 V161 V162 | I132-S164 WeakPolarHBondContact CD1-O 3.41Å; V161-S164 PolarHBondContact O-N 3.17Å; V161-S164 PolarHBondContact O-OG 3.01Å; V162-S164 VanDerWaalsContact C-N 3.25Å; V162-S164 PolarHBondContact O-N 3.39Å |
| 165 | L | 66.4 | Low | 67.9 | Low | 8 Ų | 8 | 52.7 Ų | 52.7 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | trans | -55.4 | 140.5 | 165.5 | -70.5 | 169 | 0 | 0 | 0 | 109.4 | I132 F135 V162 D163 F249 R252 | I132-L165 HydrophobicContact CB-CD2 4.46Å; I132-L165 HydrophobicContact CG1-CD2 4.18Å; I132-L165 HydrophobicContact CG2-CD2 3.92Å; F135-L165 HydrophobicContact CD1-CD1 4Å; F135-L165 HydrophobicContact CD1-CD2 3.74Å; F135-L165 HydrophobicContact CD1-CG 4.28Å; F135-L165 HydrophobicContact CE1-CD1 3.81Å; F135-L165 HydrophobicContact CE1-CD2 3.92Å; F135-L165 HydrophobicContact CE1-CG 4.03Å; F135-L165 HydrophobicContact CG-CD2 4.25Å; V162-L165 WeakPolarHBondContact O-CG 3.33Å; V162-L165 PolarHBondContact O-N 2.98Å; D163-L165 VanDerWaalsContact C-N 3.32Å; D163-L165 PolarHBondContact O-N 2.85Å; L165-F249 HydrophobicContact CD1-CD2 3.69Å; L165-F249 HydrophobicContact CD1-CE2 3.95Å; L165-R252 VanDerWaalsContact C-NH1 3.25Å; L165-R252 VanDerWaalsContact O-CZ 3.23Å; L165-R252 PolarHBondContact O-NH1 3.2Å; L165-R252 PolarHBondContact O-NH2 3.07Å | ||
| 166 | T | 57.2 | Low | 66.4 | Low | 67 Ų | 67 | 53.3 Ų | 53.3 | 41% | 0.411 | 30% | 0.3 | S | S | . | . | trans | -119.1 | 173.2 | 174.7 | 48.6 | 0 | 0 | 0 | 0 | 109.7 | E168 L169 | T166-E168 PolarHBondContact O-N 3.25Å; T166-L169 PolarHBondContact O-N 3.41Å | ||
| 167 | N | 53.6 | Low | 65 | Low | 152 Ų | 152 | 58 Ų | 58 | 81% | 0.813 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 7.2 | 179.4 | -60.9 | 14.2 | 0 | 0 | 0 | 113.7 | L169 | N167-L169 PolarHBondContact O-N 2.93Š|
| 168 | E | 50.5 | Low | 64 | Low | 122 Ų | 122 | 65.1 Ų | 65.1 | 57% | 0.57 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -22 | 170.2 | -70.8 | -175.3 | -149.9 | 0 | 0 | 112.8 | T166 | T166-E168 PolarHBondContact O-N 3.25Š|
| 169 | L | 52.9 | Low | 63.5 | Low | 22 Ų | 22 | 66.5 Ų | 66.5 | 12% | 0.115 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -91 | 106.5 | 160.1 | -92.8 | 72.1 | 0 | 0 | 0 | 108.1 | I132 P136 T166 N167 F176 F254 | I132-L169 HydrophobicContact CG2-CD1 3.76Å; P136-L169 HydrophobicContact CG-CD2 4.23Å; T166-L169 PolarHBondContact O-N 3.41Å; N167-L169 PolarHBondContact O-N 2.93Å; L169-F176 HydrophobicContact CD2-CE2 4.06Å; L169-F254 HydrophobicContact CB-CZ 4.34Å |
| 170 | A | 50.5 | Low | 62.9 | Low | 55 Ų | 55 | 71.6 Ų | 71.6 | 46% | 0.455 | 39% | 0.392 | S | S | . | . | trans | -66.1 | 137.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110 | R172 D173 | A170-R172 PolarHBondContact O-N 3.46Å; A170-R172 VanDerWaalsContact O-N 3.15Å; A170-D173 WeakPolarHBondContact O-CB 3.31Å; A170-D173 PolarHBondContact O-N 2.96Å; A170-D173 VanDerWaalsContact O-N 3.14Å | ||
| 171 | P | 51 | Low | 62.7 | Low | 94 Ų | 94 | 71.7 Ų | 71.7 | 61% | 0.61 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -14.1 | 178.8 | 27.5 | -34.8 | 0 | 0 | 0 | 113.5 | D173 | P171-D173 VanDerWaalsContact C-N 3.34Š|
| 172 | R | 47.3 | Very low | 62.8 | Low | 153 Ų | 153 | 72.7 Ų | 72.7 | 58% | 0.577 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | 0.5 | 173.5 | -75 | -171 | 177.5 | -110.1 | 25.3 | 114.6 | A170 P174 E2280 D2281 | A170-R172 PolarHBondContact O-N 3.46Å; A170-R172 VanDerWaalsContact O-N 3.15Å; R172-P174 VanDerWaalsContact O-CD 3.23Å; R172-P174 WeakPolarHBondContact O-CD 3.37Å; R172-P174 VanDerWaalsContact O-N 3.12Å; R172-E2280 IonicContact CZ-OE1 3.12Å; R172-E2280 IonicContact CZ-OE2 3.99Å; R172-E2280 IonicContact NH1-OE1 3.89Å; R172-E2280 PolarHBondContact NH1-OE1 2.85Å; R172-E2280 IonicContact NH1-OE2 3.18Å; R172-E2280 PolarHBondContact NH1-OE2 2.99Å; R172-E2280 IonicContact NH2-OE1 3.13Å; R172-E2280 PolarHBondContact NH2-OE1 2.95Å; R172-E2280 IonicContact NH2-OE2 2.65Å; R172-E2280 PolarHBondContact NH2-OE2 3.37Å; R172-D2281 IonicContact NH2-OD1 2.77Å |
| 173 | D | 53.1 | Low | 62.9 | Low | 67 Ų | 67 | 73.4 Ų | 73.4 | 36% | 0.358 | 39% | 0.39 | S | S | . | . | trans | -67.5 | 106.4 | 179.6 | -160.1 | 4.8 | 0 | 0 | 0 | 110.1 | A170 P171 C175 F176 | A170-D173 WeakPolarHBondContact O-CB 3.31Å; A170-D173 PolarHBondContact O-N 2.96Å; A170-D173 VanDerWaalsContact O-N 3.14Å; P171-D173 VanDerWaalsContact C-N 3.34Å; D173-C175 PolarHBondContact O-N 3.16Å; D173-F176 PolarHBondContact O-N 3Å | ||
| 174 | P | 48.6 | Very low | 63.4 | Low | 78 Ų | 78 | 74.5 Ų | 74.5 | 51% | 0.506 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -66.9 | -19.3 | -160 | 26.2 | -35.3 | 0 | 0 | 0 | 113.4 | R172 F176 N177 | R172-P174 VanDerWaalsContact O-CD 3.23Å; R172-P174 WeakPolarHBondContact O-CD 3.37Å; R172-P174 VanDerWaalsContact O-N 3.12Å; P174-F176 PolarHBondContact O-N 3.44Å; P174-N177 PolarHBondContact O-N 3.03Å |
| 175 | C | 55.8 | Low | 64.1 | Low | 67 Ų | 67 | 72.7 Ų | 72.7 | 45% | 0.453 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -55.7 | -18.3 | 179.8 | -60.5 | 0 | 0 | 0 | 0 | 115 | D173 L179 | D173-C175 PolarHBondContact O-N 3.16Å; C175-L179 WeakPolarHBondContact O-CD1 3.47Å; C175-L179 VanDerWaalsContact O-CG 3.24Å; C175-L179 WeakPolarHBondContact O-CG 3.47Å |
| 176 | F | 57.3 | Low | 65.1 | Low | 14 Ų | 14 | 72.5 Ų | 72.5 | 6% | 0.061 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -87.6 | -26.6 | 172.5 | -85.1 | -86.4 | 0 | 0 | 0 | 114.2 | P136 F139 L169 D173 P174 | P136-F176 HydrophobicContact CB-CE2 4.31Å; P136-F176 HydrophobicContact CG-CE2 4.13Å; F139-F176 HydrophobicContact CB-CE1 4.39Å; F139-F176 AromaticContact CD2-CE1 3.37Å; F139-F176 HydrophobicContact CD2-CE1 3.37Å; F139-F176 AromaticContact CD2-CZ 3.49Å; F139-F176 HydrophobicContact CD2-CZ 3.49Å; F139-F176 VanDerWaalsContact CD2-CZ 3.49Å; F139-F176 AromaticContact CE2-CE1 3.81Å; F139-F176 HydrophobicContact CE2-CE1 3.81Å; F139-F176 AromaticContact CE2-CZ 3.84Å; F139-F176 HydrophobicContact CE2-CZ 3.84Å; F139-F176 HydrophobicContact CG-CE1 4.11Å; L169-F176 HydrophobicContact CD2-CE2 4.06Å; D173-F176 PolarHBondContact O-N 3Å; P174-F176 PolarHBondContact O-N 3.44Å |
| 177 | N | 60.8 | Low | 66.5 | Low | 99 Ų | 99 | 69.9 Ų | 69.9 | 53% | 0.529 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -32.6 | -175.7 | -91.1 | -30.8 | 0 | 0 | 0 | 112.8 | P174 L179 R183 | P174-N177 PolarHBondContact O-N 3.03Å; N177-L179 VanDerWaalsContact C-N 3.29Å; N177-L179 PolarHBondContact O-N 2.92Å; N177-R183 PolarHBondContact O-NH2 3.43Å; N177-R183 PolarHBondContact OD1-NH1 2.99Å |
| 178 | E | 67.7 | Low | 68.1 | Low | 160 Ų | 160 | 63.6 Ų | 63.6 | 75% | 0.748 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -72.3 | -21.8 | 178 | -60.1 | -177.3 | 161 | 0 | 0 | 113 | L180 | E178-L180 VanDerWaalsContact C-N 3.25Å; E178-L180 PolarHBondContact O-N 3.07Å |
| 179 | L | 74.5 | Confident | 70 | Confident | 31 Ų | 31 | 57.8 Ų | 57.8 | 16% | 0.162 | 30% | 0.298 | C | S | . | . | trans | -83.9 | 48.3 | -172 | -64.5 | 178.1 | 0 | 0 | 0 | 113.8 | A140 C175 N177 Y181 Q182 R183 | A140-L179 HydrophobicContact CB-CD1 4.29Å; C175-L179 WeakPolarHBondContact O-CD1 3.47Å; C175-L179 VanDerWaalsContact O-CG 3.24Å; C175-L179 WeakPolarHBondContact O-CG 3.47Å; N177-L179 VanDerWaalsContact C-N 3.29Å; N177-L179 PolarHBondContact O-N 2.92Å; L179-Y181 PolarHBondContact O-N 3.47Å; L179-Q182 VanDerWaalsContact C-OE1 3.3Å; L179-Q182 HydrophobicContact CB-CB 4.15Å; L179-Q182 HydrophobicContact CB-CG 4.48Å; L179-Q182 HydrophobicContact CD2-CG 4.5Å; L179-Q182 PolarHBondContact O-N 3.4Å; L179-Q182 VanDerWaalsContact O-N 3.14Å; L179-Q182 PolarHBondContact O-OE1 3.35Å; L179-R183 WeakPolarHBondContact O-CG 3.45Å; L179-R183 PolarHBondContact O-N 3.15Å | ||
| 180 | L | 75.7 | Confident | 71.8 | Confident | 109 Ų | 109 | 56.8 Ų | 56.8 | 57% | 0.571 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -52.6 | -46.2 | -175.5 | -74.7 | 165.3 | 0 | 0 | 0 | 114.2 | E178 Q182 R183 R184 | E178-L180 VanDerWaalsContact C-N 3.25Å; E178-L180 PolarHBondContact O-N 3.07Å; L180-Q182 PolarHBondContact O-N 2.81Å; L180-R183 PolarHBondContact O-N 3.08Å; L180-R184 PolarHBondContact O-N 3.03Å; L180-R184 VanDerWaalsContact O-N 3.11Å |
| 181 | Y | 81.3 | Confident | 73.8 | Confident | 72 Ų | 72 | 54.2 Ų | 54.2 | 28% | 0.282 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 178.5 | 175.9 | -80.3 | 0 | 0 | 0 | 111.1 | D144 R151 L179 R184 Y185 F312 | D144-Y181 HydrophobicContact CB-CE1 4.22Å; D144-Y181 HydrophobicContact CB-CE2 4.05Å; D144-Y181 PolarHBondContact OD1-OH 3.37Å; R151-Y181 PolarHBondContact NH1-OH 2.82Å; L179-Y181 PolarHBondContact O-N 3.47Å; Y181-R184 PolarHBondContact O-N 3.33Å; Y181-Y185 WeakPolarHBondContact O-CB 3.46Å; Y181-Y185 PolarHBondContact O-N 2.6Å; Y181-F312 HydrophobicContact CD2-CE1 4.49Å; Y181-F312 HydrophobicContact CE1-CE1 4.27Å; Y181-F312 AromaticContact CE2-CE1 3.84Å; Y181-F312 HydrophobicContact CE2-CE1 3.84Å; Y181-F312 AromaticContact CZ-CE1 3.67Å |
| 182 | Q | 85 | Confident | 75.6 | Confident | 30 Ų | 30 | 49.7 Ų | 49.7 | 14% | 0.14 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.9 | -39.4 | -176.9 | -58.8 | 81.7 | -16 | 0 | 0 | 110.3 | F139 L142 L179 L180 Y185 I186 | F139-Q182 WeakPolarHBondContact O-CG 3.35Å; L142-Q182 HydrophobicContact CB-CB 4.24Å; L142-Q182 HydrophobicContact CB-CG 3.89Å; L179-Q182 VanDerWaalsContact C-OE1 3.3Å; L179-Q182 HydrophobicContact CB-CB 4.15Å; L179-Q182 HydrophobicContact CB-CG 4.48Å; L179-Q182 HydrophobicContact CD2-CG 4.5Å; L179-Q182 PolarHBondContact O-N 3.4Å; L179-Q182 VanDerWaalsContact O-N 3.14Å; L179-Q182 PolarHBondContact O-OE1 3.35Å; L180-Q182 PolarHBondContact O-N 2.81Å; Q182-Y185 PolarHBondContact O-N 3.11Å; Q182-I186 WeakPolarHBondContact O-CB 3.33Å; Q182-I186 VanDerWaalsContact O-CD1 3.29Å; Q182-I186 WeakPolarHBondContact O-CD1 3.49Å; Q182-I186 WeakPolarHBondContact O-CG1 3.27Å; Q182-I186 PolarHBondContact O-N 3.39Å |
| 183 | R | 85.5 | Confident | 77.7 | Confident | 17 Ų | 17 | 42.4 Ų | 42.4 | 6% | 0.064 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.3 | -52.6 | 172.1 | -75 | -159.9 | -68.6 | -160.2 | -3.6 | 111.6 | N177 L179 L180 Y185 I186 S187 F255 E259 | N177-R183 PolarHBondContact O-NH2 3.43Å; N177-R183 PolarHBondContact OD1-NH1 2.99Å; L179-R183 WeakPolarHBondContact O-CG 3.45Å; L179-R183 PolarHBondContact O-N 3.15Å; L180-R183 PolarHBondContact O-N 3.08Å; R183-Y185 VanDerWaalsContact C-N 3.26Å; R183-Y185 PolarHBondContact O-N 2.91Å; R183-I186 PolarHBondContact O-N 3.33Å; R183-S187 PolarHBondContact O-N 3.26Å; R183-F255 HydrophobicContact CB-CD1 4.11Å; R183-F255 HydrophobicContact CB-CE1 3.62Å; R183-F255 HydrophobicContact CB-CZ 4.36Å; R183-F255 HydrophobicContact CG-CD1 4.25Å; R183-F255 HydrophobicContact CG-CE1 3.8Å; R183-F255 HydrophobicContact CG-CZ 4.14Å; R183-F255 WeakPolarHBondContact O-CE1 3.29Å; R183-E259 IonicContact NE-OE2 2.7Å |
| 184 | R | 83.9 | Confident | 79.5 | Confident | 110 Ų | 110 | 39.4 Ų | 39.4 | 42% | 0.415 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -55.9 | -41.9 | 176.2 | -166.3 | -174.9 | -178.8 | 129.5 | -9.2 | 111.7 | L180 Y181 D188 D311 F312 | L180-R184 PolarHBondContact O-N 3.03Å; L180-R184 VanDerWaalsContact O-N 3.11Å; Y181-R184 PolarHBondContact O-N 3.33Å; R184-D188 WeakPolarHBondContact O-CB 3.37Å; R184-D188 PolarHBondContact O-N 3.43Å; R184-D311 IonicContact CZ-OD2 3.6Å; R184-D311 IonicContact NE-OD2 3.75Å; R184-D311 PolarHBondContact NE-OD2 3.09Å; R184-D311 VanDerWaalsContact NH2-CG 3.3Å; R184-D311 IonicContact NH2-OD1 2.78Å; R184-D311 PolarHBondContact NH2-OD1 3.43Å; R184-D311 IonicContact NH2-OD2 3.59Å; R184-D311 PolarHBondContact NH2-OD2 3.39Å; R184-F312 HydrophobicContact CB-CE2 4.35Å; R184-F312 HydrophobicContact CB-CZ 4.08Å; R184-F312 HydrophobicContact CG-CE2 3.94Å; R184-F312 HydrophobicContact CG-CZ 4Å |
| 185 | Y | 86.8 | Confident | 81.5 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.6 | -41.8 | 177.7 | -175.8 | -96.4 | 0 | 0 | 0 | 113.6 | L142 I148 R151 D152 L155 Y181 Q182 R183 D188 F189 R224 F312 | L142-Y185 HydrophobicContact CD1-CD1 4.44Å; I148-Y185 HydrophobicContact CD1-CE2 4.15Å; I148-Y185 HydrophobicContact CG1-CE2 4.31Å; I148-Y185 PolarHBondContact O-OH 3.46Å; R151-Y185 HydrophobicContact CB-CE1 3.64Å; R151-Y185 VanDerWaalsContact CB-OH 3.23Å; R151-Y185 WeakPolarHBondContact CB-OH 3.39Å; D152-Y185 PolarHBondContact N-OH 3.47Å; D152-Y185 PolarHBondContact OD1-OH 3.03Å; L155-Y185 HydrophobicContact CD1-CD1 3.93Å; L155-Y185 HydrophobicContact CD1-CE1 3.59Å; Y181-Y185 WeakPolarHBondContact O-CB 3.46Å; Y181-Y185 PolarHBondContact O-N 2.6Å; Q182-Y185 PolarHBondContact O-N 3.11Å; R183-Y185 VanDerWaalsContact C-N 3.26Å; R183-Y185 PolarHBondContact O-N 2.91Å; Y185-D188 PolarHBondContact O-N 3.47Å; Y185-F189 WeakPolarHBondContact O-CB 3.31Å; Y185-F189 PolarHBondContact O-N 2.93Å; Y185-R224 PolarHBondContact OH-NH2 2.84Å; Y185-F312 AromaticContact CD2-CD1 3.87Å; Y185-F312 HydrophobicContact CD2-CD1 3.87Å; Y185-F312 HydrophobicContact CD2-CD2 4.14Å; Y185-F312 HydrophobicContact CD2-CE1 4.02Å; Y185-F312 HydrophobicContact CD2-CE2 4.28Å; Y185-F312 AromaticContact CD2-CG 3.93Å; Y185-F312 HydrophobicContact CD2-CG 3.93Å; Y185-F312 HydrophobicContact CD2-CZ 4.22Å |
| 186 | I | 88.1 | Confident | 83.1 | Confident | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.015 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.4 | -47.7 | 174.4 | -67.5 | 156.3 | 0 | 0 | 0 | 110.2 | F139 L142 L155 Q182 R183 D188 F189 F190 F255 | F139-I186 HydrophobicContact CB-CD1 4.28Å; F139-I186 HydrophobicContact CD1-CD1 3.38Å; F139-I186 HydrophobicContact CD1-CG1 3.96Å; F139-I186 HydrophobicContact CE1-CD1 3.87Å; F139-I186 HydrophobicContact CE1-CG1 4.18Å; F139-I186 HydrophobicContact CG-CD1 4Å; L142-I186 HydrophobicContact CD1-CD1 4.08Å; L142-I186 HydrophobicContact CD1-CG1 3.76Å; L155-I186 HydrophobicContact CD2-CG1 4.08Å; Q182-I186 WeakPolarHBondContact O-CB 3.33Å; Q182-I186 VanDerWaalsContact O-CD1 3.29Å; Q182-I186 WeakPolarHBondContact O-CD1 3.49Å; Q182-I186 WeakPolarHBondContact O-CG1 3.27Å; Q182-I186 PolarHBondContact O-N 3.39Å; R183-I186 PolarHBondContact O-N 3.33Å; I186-D188 VanDerWaalsContact C-N 3.32Å; I186-D188 PolarHBondContact O-N 3.07Å; I186-F189 PolarHBondContact O-N 2.7Å; I186-F190 HydrophobicContact CG2-CD2 3.6Å; I186-F190 HydrophobicContact CG2-CE2 3.38Å; I186-F190 HydrophobicContact CG2-CG 4.36Å; I186-F190 HydrophobicContact CG2-CZ 3.98Å; I186-F190 PolarHBondContact O-N 2.83Å; I186-F255 HydrophobicContact CB-CE1 4.43Å; I186-F255 HydrophobicContact CB-CZ 4.06Å; I186-F255 HydrophobicContact CD1-CZ 4.3Å; I186-F255 HydrophobicContact CG2-CE1 4.42Å; I186-F255 HydrophobicContact CG2-CZ 3.75Å |
| 187 | S | 86.8 | Confident | 84.5 | Confident | 13 Ų | 13 | 34.8 Ų | 34.8 | 9% | 0.091 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.9 | -38.6 | 179.6 | -169.7 | 0 | 0 | 0 | 0 | 111.9 | R183 S191 Y250 E259 P263 | R183-S187 PolarHBondContact O-N 3.26Å; S187-S191 WeakPolarHBondContact O-CB 3.29Å; S187-S191 PolarHBondContact O-N 3.39Å; S187-S191 PolarHBondContact O-OG 3.45Å; S187-Y250 WeakPolarHBondContact CA-OH 3.44Å; S187-E259 PolarHBondContact OG-O 2.83Å; S187-P263 WeakPolarHBondContact OG-CG 3.4Å |
| 188 | D | 87.6 | Confident | 85.7 | Confident | 19 Ų | 19 | 31.5 Ų | 31.5 | 10% | 0.102 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.9 | -36.6 | 173.7 | -103 | -18.2 | 0 | 0 | 0 | 113.2 | R184 Y185 I186 L192 R310 F312 | R184-D188 WeakPolarHBondContact O-CB 3.37Å; R184-D188 PolarHBondContact O-N 3.43Å; Y185-D188 PolarHBondContact O-N 3.47Å; I186-D188 VanDerWaalsContact C-N 3.32Å; I186-D188 PolarHBondContact O-N 3.07Å; D188-L192 PolarHBondContact O-N 2.94Å; D188-R310 VanDerWaalsContact C-NH2 3.35Å; D188-R310 VanDerWaalsContact CA-NH2 3.32Å; D188-R310 PolarHBondContact O-NH2 3.21Å; D188-R310 IonicContact OD1-CZ 3.04Å; D188-R310 IonicContact OD1-NE 3.49Å; D188-R310 PolarHBondContact OD1-NE 3.26Å; D188-R310 IonicContact OD1-NH2 2.85Å; D188-R310 PolarHBondContact OD1-NH2 3.01Å; D188-R310 WeakPolarHBondContact OD2-CD 3.39Å; D188-R310 IonicContact OD2-CZ 2.76Å; D188-R310 IonicContact OD2-NE 2.76Å; D188-R310 PolarHBondContact OD2-NE 2.91Å; D188-R310 IonicContact OD2-NH2 3.62Å; D188-F312 HydrophobicContact CB-CD2 4.13Å; D188-F312 HydrophobicContact CB-CE2 4.24Å; D188-F312 VanDerWaalsContact OD2-CD2 3.3Å; D188-F312 WeakPolarHBondContact OD2-CD2 3.33Å |
| 189 | F | 89.7 | Confident | 86.2 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.1 | -50.5 | 174.4 | -176.4 | -89.3 | 0 | 0 | 0 | 111.5 | D152 L155 H156 L159 Y185 I186 S191 L192 V193 M225 | D152-F189 HydrophobicContact CB-CE2 4.01Å; D152-F189 WeakPolarHBondContact OD1-CD2 3.34Å; D152-F189 WeakPolarHBondContact OD1-CE2 3.13Å; L155-F189 HydrophobicContact CB-CD1 3.8Å; L155-F189 HydrophobicContact CB-CD2 4.28Å; L155-F189 HydrophobicContact CB-CE1 3.62Å; L155-F189 HydrophobicContact CB-CE2 4.11Å; L155-F189 HydrophobicContact CB-CG 4.14Å; L155-F189 HydrophobicContact CB-CZ 3.78Å; L155-F189 HydrophobicContact CD1-CB 3.54Å; L155-F189 HydrophobicContact CD1-CD1 3.8Å; L155-F189 HydrophobicContact CD1-CD2 3.81Å; L155-F189 HydrophobicContact CD1-CE1 4.45Å; L155-F189 HydrophobicContact CD1-CE2 4.44Å; L155-F189 HydrophobicContact CD1-CG 3.44Å; L155-F189 VanDerWaalsContact CD1-CG 3.44Å; L155-F189 HydrophobicContact CG-CD1 4.38Å; L155-F189 HydrophobicContact CG-CG 4.42Å; H156-F189 AromaticContact CD2-CZ 3.88Å; H156-F189 AromaticContact NE2-CZ 3.79Å; L159-F189 HydrophobicContact CD1-CE1 4.38Å; L159-F189 HydrophobicContact CD2-CE1 4.47Å; Y185-F189 WeakPolarHBondContact O-CB 3.31Å; Y185-F189 PolarHBondContact O-N 2.93Å; I186-F189 PolarHBondContact O-N 2.7Å; F189-S191 VanDerWaalsContact C-N 3.31Å; F189-S191 PolarHBondContact O-N 3.32Å; F189-L192 WeakPolarHBondContact O-CB 3.47Å; F189-L192 PolarHBondContact O-N 3.22Å; F189-L192 VanDerWaalsContact O-N 3.09Å; F189-V193 HydrophobicContact CD1-CG2 4.15Å; F189-V193 HydrophobicContact CE1-CG2 3.89Å; F189-V193 PolarHBondContact O-N 2.9Å; F189-V193 VanDerWaalsContact O-N 3.14Å; F189-M225 HydrophobicContact CD2-CE 3.54Å; F189-M225 HydrophobicContact CE1-CE 4.42Å; F189-M225 HydrophobicContact CE2-CE 3.39Å; F189-M225 HydrophobicContact CG-CE 4.14Å; F189-M225 HydrophobicContact CZ-CE 3.87Å |
| 190 | F | 91.3 | Very high | 86.3 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63 | -36.1 | 177.7 | -70.3 | -19.7 | 0 | 0 | 0 | 112.2 | V158 L159 I186 L192 V193 M194 I246 F249 Y250 | V158-F190 HydrophobicContact CG1-CZ 4.45Å; L159-F190 HydrophobicContact CD2-CD1 4.25Å; L159-F190 HydrophobicContact CD2-CE1 3.86Å; I186-F190 HydrophobicContact CG2-CD2 3.6Å; I186-F190 HydrophobicContact CG2-CE2 3.38Å; I186-F190 HydrophobicContact CG2-CG 4.36Å; I186-F190 HydrophobicContact CG2-CZ 3.98Å; I186-F190 PolarHBondContact O-N 2.83Å; F190-L192 VanDerWaalsContact C-N 3.27Å; F190-L192 PolarHBondContact O-N 3.33Å; F190-V193 PolarHBondContact O-N 3.49Å; F190-M194 VanDerWaalsContact O-CG 3.31Å; F190-M194 WeakPolarHBondContact O-CG 3.45Å; F190-M194 PolarHBondContact O-N 3.06Å; F190-I246 HydrophobicContact CB-CD1 4.29Å; F190-I246 HydrophobicContact CB-CG2 3.94Å; F190-I246 HydrophobicContact CD1-CD1 3.69Å; F190-I246 HydrophobicContact CD1-CG1 3.91Å; F190-I246 HydrophobicContact CD2-CG1 4.44Å; F190-I246 HydrophobicContact CD2-CG2 4.21Å; F190-I246 HydrophobicContact CE1-CD1 4.27Å; F190-I246 HydrophobicContact CE1-CG1 4.17Å; F190-I246 HydrophobicContact CG-CD1 4.07Å; F190-I246 HydrophobicContact CG-CG1 4.08Å; F190-I246 HydrophobicContact CG-CG2 4.07Å; F190-F249 HydrophobicContact CD2-CD1 4.48Å; F190-F249 AromaticContact CE2-CD1 3.88Å; F190-F249 HydrophobicContact CE2-CD1 3.88Å; F190-F249 AromaticContact CE2-CE1 3.76Å; F190-F249 HydrophobicContact CE2-CE1 3.76Å; F190-Y250 HydrophobicContact CB-CE2 4.32Å; F190-Y250 HydrophobicContact CD2-CE2 4.04Å |
| 191 | S | 91.2 | Very high | 85.8 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.007 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56.7 | -37.7 | 172.1 | -67.8 | 0 | 0 | 0 | 0 | 113.1 | S187 F189 L195 | S187-S191 WeakPolarHBondContact O-CB 3.29Å; S187-S191 PolarHBondContact O-N 3.39Å; S187-S191 PolarHBondContact O-OG 3.45Å; F189-S191 VanDerWaalsContact C-N 3.31Å; F189-S191 PolarHBondContact O-N 3.32Å; S191-L195 WeakPolarHBondContact O-CG 3.45Å; S191-L195 PolarHBondContact O-N 2.69Å; S191-L195 VanDerWaalsContact O-N 3.13Å |
| 192 | L | 90 | Very high | 84.8 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.4 | -41.5 | 173 | -68.7 | 175.5 | 0 | 0 | 0 | 112 | D188 F189 F190 M194 L195 L196 F217 D221 M225 W304 | D188-L192 PolarHBondContact O-N 2.94Å; F189-L192 WeakPolarHBondContact O-CB 3.47Å; F189-L192 PolarHBondContact O-N 3.22Å; F189-L192 VanDerWaalsContact O-N 3.09Å; F190-L192 VanDerWaalsContact C-N 3.27Å; F190-L192 PolarHBondContact O-N 3.33Å; L192-M194 VanDerWaalsContact C-N 3.29Å; L192-M194 PolarHBondContact O-N 3.46Å; L192-L195 PolarHBondContact O-N 3.38Å; L192-L196 PolarHBondContact O-N 3.2Å; L192-F217 HydrophobicContact CB-CE1 4.36Å; L192-F217 HydrophobicContact CD2-CD1 4.26Å; L192-F217 HydrophobicContact CD2-CE1 3.96Å; L192-F217 HydrophobicContact CD2-CZ 4.48Å; L192-F217 WeakPolarHBondContact O-CZ 3.39Å; L192-D221 HydrophobicContact CD1-CB 3.89Å; L192-D221 WeakPolarHBondContact CD1-OD1 3.34Å; L192-D221 HydrophobicContact CD2-CB 3.87Å; L192-M225 HydrophobicContact CB-CE 3.81Å; L192-M225 HydrophobicContact CB-CG 3.92Å; L192-M225 HydrophobicContact CB-SD 3.5Å; L192-M225 WeakPolarHBondContact CB-SD 3.32Å; L192-M225 HydrophobicContact CD1-CE 3.83Å; L192-W304 HydrophobicContact CD2-CH2 4.15Å |
| 193 | V | 90.7 | Very high | 83.5 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.1 | -41.8 | 175.8 | -178.3 | 0 | 0 | 0 | 0 | 110.5 | L159 F189 F190 L196 M225 L239 K243 I246 | L159-V193 HydrophobicContact CD1-CG2 4.49Å; L159-V193 HydrophobicContact CD2-CG2 4.41Å; F189-V193 HydrophobicContact CD1-CG2 4.15Å; F189-V193 HydrophobicContact CE1-CG2 3.89Å; F189-V193 PolarHBondContact O-N 2.9Å; F189-V193 VanDerWaalsContact O-N 3.14Å; F190-V193 PolarHBondContact O-N 3.49Å; V193-L196 WeakPolarHBondContact O-CB 3.49Å; V193-L196 PolarHBondContact O-N 3.35Å; V193-M225 HydrophobicContact CB-SD 4.38Å; V193-M225 HydrophobicContact CG2-SD 3.53Å; V193-M225 VanDerWaalsContact CG2-SD 3.53Å; V193-L239 HydrophobicContact CG1-CD1 4.06Å; V193-K243 WeakPolarHBondContact O-CE 3.48Å; V193-I246 HydrophobicContact CB-CD1 3.8Å; V193-I246 HydrophobicContact CG1-CD1 3.57Å; V193-I246 HydrophobicContact CG2-CD1 4.37Å |
| 194 | M | 90.6 | Very high | 82 | Confident | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.015 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.7 | -38.8 | 176.8 | -65.3 | -50.6 | -62.3 | 0 | 0 | 112.8 | F190 L192 K243 I246 M247 F266 G267 V275 | F190-M194 VanDerWaalsContact O-CG 3.31Å; F190-M194 WeakPolarHBondContact O-CG 3.45Å; F190-M194 PolarHBondContact O-N 3.06Å; L192-M194 VanDerWaalsContact C-N 3.29Å; L192-M194 PolarHBondContact O-N 3.46Å; M194-K243 HydrophobicContact CE-CB 4.16Å; M194-K243 HydrophobicContact CE-CG 4.29Å; M194-K243 VanDerWaalsContact O-CE 3.29Å; M194-K243 WeakPolarHBondContact O-CE 3.27Å; M194-K243 PolarHBondContact O-NZ 3.21Å; M194-K243 HydrophobicContact SD-CB 4Å; M194-K243 HydrophobicContact SD-CG 3.89Å; M194-I246 HydrophobicContact CG-CG2 4.24Å; M194-I246 HydrophobicContact SD-CB 4.14Å; M194-I246 HydrophobicContact SD-CG2 3.77Å; M194-M247 HydrophobicContact CE-CE 3.4Å; M194-M247 VanDerWaalsContact CE-CE 3.4Å; M194-M247 HydrophobicContact SD-CE 4.19Å; M194-F266 HydrophobicContact CB-CB 3.93Å; M194-G267 VanDerWaalsContact CE-CA 3.43Å; M194-V275 HydrophobicContact CE-CG1 3.53Å |
| 195 | L | 90.3 | Very high | 80.3 | Confident | 27 Ų | 27 | 38 Ų | 38 | 14% | 0.141 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -76.4 | -18.5 | 176.6 | -71.2 | 171.1 | 0 | 0 | 0 | 113.9 | S191 L192 F217 F266 W304 L324 | S191-L195 WeakPolarHBondContact O-CG 3.45Å; S191-L195 PolarHBondContact O-N 2.69Å; S191-L195 VanDerWaalsContact O-N 3.13Å; L192-L195 PolarHBondContact O-N 3.38Å; L195-F217 HydrophobicContact CB-CE2 3.8Å; L195-F217 HydrophobicContact CB-CZ 4.14Å; L195-F266 HydrophobicContact CD1-CD2 4.12Å; L195-F266 HydrophobicContact CD1-CE2 3.88Å; L195-F266 HydrophobicContact CD1-CZ 4.09Å; L195-F266 HydrophobicContact CD2-CB 4.37Å; L195-F266 HydrophobicContact CD2-CD1 3.88Å; L195-F266 HydrophobicContact CD2-CD2 4.32Å; L195-F266 HydrophobicContact CD2-CE1 4.2Å; L195-F266 HydrophobicContact CD2-CG 3.94Å; L195-F266 HydrophobicContact CG-CD1 4.43Å; L195-F266 HydrophobicContact CG-CD2 3.97Å; L195-F266 HydrophobicContact CG-CE2 4.25Å; L195-F266 HydrophobicContact CG-CG 4.07Å; L195-W304 HydrophobicContact CD1-CE3 3.99Å; L195-W304 HydrophobicContact CD1-CH2 3.85Å; L195-W304 HydrophobicContact CD1-CZ3 3.37Å; L195-L324 HydrophobicContact CD1-CD2 3.99Å; L195-L324 HydrophobicContact CD2-CD2 3.61Å; L195-L324 HydrophobicContact CG-CD2 4.48Å |
| 196 | L | 89.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -60.3 | 125.9 | -174.9 | -167.3 | 72.5 | 0 | 0 | 0 | 111.5 | L192 V193 F217 L222 M225 L226 I233 L239 K243 | L192-L196 PolarHBondContact O-N 3.2Å; V193-L196 WeakPolarHBondContact O-CB 3.49Å; V193-L196 PolarHBondContact O-N 3.35Å; L196-F217 HydrophobicContact CB-CZ 4.19Å; L196-F217 HydrophobicContact CD1-CE1 4.19Å; L196-F217 HydrophobicContact CD1-CZ 3.92Å; L196-L222 HydrophobicContact CD1-CD1 4.06Å; L196-M225 HydrophobicContact CD1-CB 4.05Å; L196-M225 HydrophobicContact CD1-CG 4.36Å; L196-M225 HydrophobicContact CD2-CB 4.37Å; L196-L226 HydrophobicContact CD1-CD1 4.47Å; L196-L226 HydrophobicContact CD1-CG 4.5Å; L196-L226 HydrophobicContact CD2-CD2 4.23Å; L196-I233 HydrophobicContact CD2-CD1 4.04Å; L196-I233 HydrophobicContact CD2-CG2 4.35Å; L196-L239 HydrophobicContact CB-CD1 4.45Å; L196-L239 HydrophobicContact CB-CD2 4.31Å; L196-L239 HydrophobicContact CD2-CD1 3.98Å; L196-L239 HydrophobicContact CD2-CD2 3.96Å; L196-L239 HydrophobicContact CG-CD2 4.18Å; L196-K243 WeakPolarHBondContact O-CE 3.4Å; L196-K243 PolarHBondContact O-NZ 3Å | ||
| 197 | P | 86.8 | Confident | 75.6 | Confident | 36 Ų | 36 | 48 Ų | 48 | 23% | 0.234 | 24% | 0.238 | C | C | . | . | trans | -82.3 | 139.2 | -175.7 | 33 | -35.7 | 0 | 0 | 0 | 111.9 | N199 F200 P214 | P197-N199 WeakPolarHBondContact CB-OD1 3.43Å; P197-N199 PolarHBondContact O-N 3.18Å; P197-F200 WeakPolarHBondContact O-CB 3.42Å; P197-F200 WeakPolarHBondContact O-CD1 3.42Å; P197-F200 PolarHBondContact O-N 3.4Å; P197-P214 HydrophobicContact CG-CB 4.13Å; P197-P214 HydrophobicContact CG-CG 3.88Å | ||
| 198 | Y | 86.1 | Confident | 73.3 | Confident | 29 Ų | 29 | 56.8 Ų | 56.8 | 11% | 0.114 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -12.7 | -175.3 | -64.5 | -80.7 | 0 | 0 | 0 | 116.1 | L239 E240 K243 D270 S271 R272 | Y198-L239 HydrophobicContact CD1-CB 4.38Å; Y198-L239 HydrophobicContact CD1-CD2 4.01Å; Y198-L239 HydrophobicContact CD1-CG 4.22Å; Y198-L239 HydrophobicContact CE1-CB 4.44Å; Y198-L239 HydrophobicContact CE1-CD2 4.33Å; Y198-L239 HydrophobicContact CE1-CG 4.12Å; Y198-E240 HydrophobicContact CE1-CB 3.97Å; Y198-K243 HydrophobicContact CE1-CD 4.28Å; Y198-K243 VanDerWaalsContact OH-CD 3.27Å; Y198-K243 WeakPolarHBondContact OH-CD 3.46Å; Y198-D270 VanDerWaalsContact CE2-OD1 3.22Å; Y198-D270 WeakPolarHBondContact CE2-OD1 3.49Å; Y198-D270 WeakPolarHBondContact CE2-OD2 3.41Å; Y198-D270 VanDerWaalsContact OH-CG 3.24Å; Y198-D270 PolarHBondContact OH-OD1 3.44Å; Y198-D270 PolarHBondContact OH-OD2 3.33Å; Y198-S271 WeakPolarHBondContact CD2-OG 3.32Å; Y198-S271 WeakPolarHBondContact CE2-OG 3.36Å; Y198-R272 HydrophobicContact CD1-CG 4.48Å; Y198-R272 HydrophobicContact CD2-CG 4.28Å; Y198-R272 HydrophobicContact CE1-CG 3.8Å; Y198-R272 HydrophobicContact CE2-CG 3.58Å; Y198-R272 VanDerWaalsContact OH-CG 3.24Å; Y198-R272 WeakPolarHBondContact OH-CG 3.27Å |
| 199 | N | 78.8 | Confident | 71.5 | Confident | 98 Ų | 98 | 61.1 Ų | 61.1 | 52% | 0.524 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 12.7 | 176.6 | 64.1 | -3.3 | 0 | 0 | 0 | 113.6 | P197 Q201 K202 | P197-N199 WeakPolarHBondContact CB-OD1 3.43Å; P197-N199 PolarHBondContact O-N 3.18Å; N199-Q201 PolarHBondContact O-N 2.72Å; N199-K202 PolarHBondContact O-N 3.44Å |
| 200 | F | 76.1 | Confident | 69.4 | Low | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.009 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -25.2 | -178.8 | 69.6 | -91.7 | 0 | 0 | 0 | 115.1 | P197 K202 L203 V204 L226 I233 L239 | P197-F200 WeakPolarHBondContact O-CB 3.42Å; P197-F200 WeakPolarHBondContact O-CD1 3.42Å; P197-F200 PolarHBondContact O-N 3.4Å; F200-K202 PolarHBondContact O-N 2.97Å; F200-K202 VanDerWaalsContact O-N 3.08Å; F200-L203 WeakPolarHBondContact O-CB 3.17Å; F200-L203 PolarHBondContact O-N 2.91Å; F200-V204 PolarHBondContact O-N 3.39Å; F200-L226 HydrophobicContact CB-CD1 4.06Å; F200-L226 HydrophobicContact CD2-CD1 4.37Å; F200-L226 HydrophobicContact CD2-CD2 3.65Å; F200-L226 HydrophobicContact CE2-CD2 4.19Å; F200-L226 HydrophobicContact CG-CD2 4.25Å; F200-I233 HydrophobicContact CE1-CG2 4.04Å; F200-I233 HydrophobicContact CE2-CG2 4.26Å; F200-I233 WeakPolarHBondContact CE2-O 3.48Å; F200-I233 HydrophobicContact CZ-CG2 3.72Å; F200-L239 HydrophobicContact CD1-CD2 3.81Å; F200-L239 HydrophobicContact CE1-CB 4.17Å; F200-L239 HydrophobicContact CE1-CD2 3.82Å |
| 201 | Q | 65.2 | Low | 67.7 | Low | 87 Ų | 87 | 70 Ų | 70 | 41% | 0.407 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -54.1 | -28.2 | 173.2 | -145.1 | 75.5 | -31.2 | 0 | 0 | 113.4 | N199 T234 | N199-Q201 PolarHBondContact O-N 2.72Å; Q201-T234 PolarHBondContact NE2-O 2.86Å; Q201-T234 PolarHBondContact OE1-O 3.28Å |
| 202 | K | 59.9 | Low | 66.5 | Low | 164 Ų | 164 | 74 Ų | 74 | 71% | 0.713 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -77.1 | -24.9 | 175.4 | -68.9 | -172.2 | 174.6 | -175.2 | 0 | 113.6 | N199 F200 S206 | N199-K202 PolarHBondContact O-N 3.44Å; F200-K202 PolarHBondContact O-N 2.97Å; F200-K202 VanDerWaalsContact O-N 3.08Å; K202-S206 WeakPolarHBondContact O-CB 3.07Å |
| 203 | L | 58.1 | Low | 65.9 | Low | 24 Ų | 24 | 75.9 Ų | 75.9 | 13% | 0.126 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -73.9 | -48.5 | 175.1 | -87 | 45.4 | 0 | 0 | 0 | 110.6 | F200 R205 P214 L222 | F200-L203 WeakPolarHBondContact O-CB 3.17Å; F200-L203 PolarHBondContact O-N 2.91Å; L203-R205 VanDerWaalsContact C-N 3.29Å; L203-R205 PolarHBondContact O-N 3.2Å; L203-P214 HydrophobicContact CD2-CG 3.62Å; L203-L222 HydrophobicContact CD2-CD1 4Å; L203-L222 HydrophobicContact CD2-CD2 3.89Å; L203-L222 HydrophobicContact CG-CD2 4.49Å |
| 204 | V | 54.6 | Low | 65.4 | Low | 88 Ų | 88 | 76.9 Ų | 76.9 | 53% | 0.533 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.6 | -30.1 | -172.8 | -177.8 | 0 | 0 | 0 | 0 | 113.2 | F200 L226 | F200-V204 PolarHBondContact O-N 3.39Å; V204-L226 HydrophobicContact CG2-CB 4.34Å; V204-L226 HydrophobicContact CG2-CD1 3.81Å; V204-L226 HydrophobicContact CG2-CG 4.46Å |
| 205 | R | 47.6 | Very low | 65.1 | Low | 202 Ų | 202 | 80.5 Ų | 80.5 | 76% | 0.762 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | 4.3 | -173.3 | -66.9 | -173 | 177.1 | -178.1 | -0.4 | 115.3 | L203 N207 | L203-R205 VanDerWaalsContact C-N 3.29Å; L203-R205 PolarHBondContact O-N 3.2Å; R205-N207 PolarHBondContact O-N 3.18Å |
| 206 | S | 36.8 | Very low | 64.8 | Low | 42 Ų | 42 | 79.2 Ų | 79.2 | 29% | 0.294 | 41% | 0.406 | S | S | . | . | trans | -90.2 | 91.4 | -176.6 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | K202 R208 | K202-S206 WeakPolarHBondContact O-CB 3.07Å; S206-R208 PolarHBondContact O-N 3.18Å | ||
| 207 | N | 39.3 | Very low | 64.6 | Low | 173 Ų | 173 | 79.2 Ų | 79.2 | 93% | 0.925 | 41% | 0.406 | S | S | * | . | trans | -66.9 | 35.6 | 166.5 | -82.6 | 3.1 | 0 | 0 | 0 | 113.6 | R205 | R205-N207 PolarHBondContact O-N 3.18Š| ||
| 208 | R | 38.9 | Very low | 64.4 | Low | 196 Ų | 196 | 78.1 Ų | 78.1 | 74% | 0.74 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -75.3 | 150.5 | 160.3 | -78.5 | -175.3 | 163.7 | -169 | -5.4 | 108.1 | S206 D210 | S206-R208 PolarHBondContact O-N 3.18Å; R208-D210 PolarHBondContact O-N 3.09Å |
| 209 | S | 49.2 | Very low | 64.2 | Low | 111 Ų | 111 | 80.3 Ų | 80.3 | 78% | 0.776 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -54.6 | -26.2 | 179.8 | 50.4 | 0 | 0 | 0 | 0 | 114 | ||
| 210 | D | 45.9 | Very low | 64.3 | Low | 118 Ų | 118 | 78.4 Ų | 78.4 | 63% | 0.631 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -128.4 | 111 | -175.6 | -58.6 | -90.8 | 0 | 0 | 0 | 109.4 | R208 | R208-D210 PolarHBondContact O-N 3.09Š|
| 211 | P | 55.1 | Low | 64.7 | Low | 69 Ų | 69 | 78.5 Ų | 78.5 | 45% | 0.448 | 41% | 0.406 | S | S | . | . | trans | -68 | 135.5 | 173.7 | 27.7 | -33.1 | 0 | 0 | 0 | 110 | I213 | P211-I213 PolarHBondContact O-N 2.76Š| ||
| 212 | T | 67.3 | Low | 65.6 | Low | 86 Ų | 86 | 75.2 Ų | 75.2 | 53% | 0.528 | 39% | 0.391 | S | S | . | . | trans | -77.1 | 88.4 | -179.3 | 30 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 213 | I | 76.6 | Confident | 66.6 | Low | 39 Ų | 39 | 69 Ų | 69 | 20% | 0.2 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 125.8 | 178.9 | -55.5 | 173.8 | 0 | 0 | 0 | 109.9 | P211 F217 R322 | P211-I213 PolarHBondContact O-N 2.76Å; I213-F217 HydrophobicContact CG2-CB 3.94Å; I213-F217 WeakPolarHBondContact CG2-O 3.49Å; I213-R322 VanDerWaalsContact O-CD 3.28Å; I213-R322 WeakPolarHBondContact O-CD 3.45Å; I213-R322 PolarHBondContact O-NH1 3.48Å |
| 214 | P | 81.4 | Confident | 67.9 | Low | 21 Ų | 21 | 68.3 Ų | 68.3 | 14% | 0.136 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 159.6 | 176.9 | -21.1 | 33.8 | 0 | 0 | 0 | 114 | P197 L203 F217 | P197-P214 HydrophobicContact CG-CB 4.13Å; P197-P214 HydrophobicContact CG-CG 3.88Å; L203-P214 HydrophobicContact CD2-CG 3.62Å; P214-F217 HydrophobicContact CB-CD2 3.9Å; P214-F217 HydrophobicContact CG-CD2 4.34Å; P214-F217 PolarHBondContact O-N 2.75Å; P214-F217 VanDerWaalsContact O-N 3.13Å |
| 215 | D | 83.3 | Confident | 69.3 | Low | 78 Ų | 78 | 64.1 Ų | 64.1 | 42% | 0.417 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 136.1 | 167.1 | -56.6 | -4.4 | 0 | 0 | 0 | 110.5 | F217 S325 | D215-F217 VanDerWaalsContact C-N 3.31Å; D215-S325 WeakPolarHBondContact OD2-CA 3.19Å; D215-S325 WeakPolarHBondContact OD2-CB 3.19Å |
| 216 | G | 84 | Confident | 70.8 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | 5.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | R321 R322 P323 | G216-R321 VanDerWaalsContact O-CD 3.29Å; G216-R321 WeakPolarHBondContact O-CD 3.15Å; G216-R322 VanDerWaalsContact CA-O 3.23Å; G216-R322 WeakPolarHBondContact CA-O 3.48Å; G216-R322 PolarHBondContact N-O 3.34Å; G216-P323 PolarHBondContact N-O 3.38Å |
| 217 | F | 86.4 | Confident | 72.7 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -121.8 | 159.8 | 176.7 | -73.6 | -98.8 | 0 | 0 | 0 | 112.8 | L192 L195 L196 I213 P214 D215 D221 L222 M225 R321 R322 | L192-F217 HydrophobicContact CB-CE1 4.36Å; L192-F217 HydrophobicContact CD2-CD1 4.26Å; L192-F217 HydrophobicContact CD2-CE1 3.96Å; L192-F217 HydrophobicContact CD2-CZ 4.48Å; L192-F217 WeakPolarHBondContact O-CZ 3.39Å; L195-F217 HydrophobicContact CB-CE2 3.8Å; L195-F217 HydrophobicContact CB-CZ 4.14Å; L196-F217 HydrophobicContact CB-CZ 4.19Å; L196-F217 HydrophobicContact CD1-CE1 4.19Å; L196-F217 HydrophobicContact CD1-CZ 3.92Å; I213-F217 HydrophobicContact CG2-CB 3.94Å; I213-F217 WeakPolarHBondContact CG2-O 3.49Å; P214-F217 HydrophobicContact CB-CD2 3.9Å; P214-F217 HydrophobicContact CG-CD2 4.34Å; P214-F217 PolarHBondContact O-N 2.75Å; P214-F217 VanDerWaalsContact O-N 3.13Å; D215-F217 VanDerWaalsContact C-N 3.31Å; F217-D221 HydrophobicContact CD1-CB 4.09Å; F217-L222 HydrophobicContact CD1-CB 4.15Å; F217-L222 HydrophobicContact CD1-CD1 4.35Å; F217-M225 HydrophobicContact CE1-CG 4.05Å; F217-R321 WeakPolarHBondContact O-CA 3.37Å; F217-R322 PolarHBondContact O-N 2.81Å | ||
| 218 | N | 82.7 | Confident | 74 | Confident | 13 Ų | 13 | 56.8 Ų | 56.8 | 7% | 0.07 | 31% | 0.308 | C | S | . | . | trans | -116.6 | 176 | 154.2 | 67.3 | 17.1 | 0 | 0 | 0 | 108.7 | F220 D221 L222 E319 P320 R321 | N218-F220 VanDerWaalsContact C-N 3.26Å; N218-F220 PolarHBondContact O-N 3.01Å; N218-F220 PolarHBondContact OD1-N 3.37Å; N218-F220 VanDerWaalsContact OD1-N 3.14Å; N218-D221 WeakPolarHBondContact OD1-CB 3.48Å; N218-D221 PolarHBondContact OD1-N 3.49Å; N218-D221 PolarHBondContact OD1-OD2 2.95Å; N218-L222 WeakPolarHBondContact O-CB 3.42Å; N218-L222 PolarHBondContact O-N 3.23Å; N218-L222 VanDerWaalsContact O-N 3.16Å; N218-E319 PolarHBondContact ND2-O 2.95Å; N218-P320 WeakPolarHBondContact CB-O 3.49Å; N218-R321 HydrophobicContact CB-CG 4.45Å | ||
| 219 | S | 80.6 | Confident | 75.4 | Confident | 75 Ų | 75 | 54 Ų | 54 | 52% | 0.524 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.3 | -36.7 | 179.9 | -171 | 0 | 0 | 0 | 0 | 112.8 | G223 | S219-G223 PolarHBondContact O-N 3.29Å |
| 220 | F | 82 | Confident | 76.3 | Confident | 58 Ų | 58 | 49.9 Ų | 49.9 | 25% | 0.254 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -69.2 | -51.1 | -178.8 | 177 | -105.2 | 0 | 0 | 0 | 113 | I148 N218 L222 G223 R224 N318 | I148-F220 HydrophobicContact CD1-CZ 4.4Å; I148-F220 HydrophobicContact CG2-CZ 4.38Å; N218-F220 VanDerWaalsContact C-N 3.26Å; N218-F220 PolarHBondContact O-N 3.01Å; N218-F220 PolarHBondContact OD1-N 3.37Å; N218-F220 VanDerWaalsContact OD1-N 3.14Å; F220-L222 VanDerWaalsContact C-N 3.27Å; F220-L222 PolarHBondContact O-N 3.32Å; F220-G223 CarbonylContact O-C 3.57Å; F220-G223 WeakPolarHBondContact O-CA 3.43Å; F220-G223 PolarHBondContact O-N 3.28Å; F220-G223 VanDerWaalsContact O-N 3.1Å; F220-R224 WeakPolarHBondContact O-CG 3.37Å; F220-R224 PolarHBondContact O-N 3Å; F220-N318 HydrophobicContact CB-CB 4.3Å; F220-N318 WeakPolarHBondContact CB-OD1 3.41Å |
| 221 | D | 84.4 | Confident | 77.6 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60 | -37.9 | 176.7 | -74.9 | -50.2 | 0 | 0 | 0 | 111.4 | L192 F217 N218 R224 M225 R310 R321 | L192-D221 HydrophobicContact CD1-CB 3.89Å; L192-D221 WeakPolarHBondContact CD1-OD1 3.34Å; L192-D221 HydrophobicContact CD2-CB 3.87Å; F217-D221 HydrophobicContact CD1-CB 4.09Å; N218-D221 WeakPolarHBondContact OD1-CB 3.48Å; N218-D221 PolarHBondContact OD1-N 3.49Å; N218-D221 PolarHBondContact OD1-OD2 2.95Å; D221-R224 PolarHBondContact O-N 2.99Å; D221-R224 IonicContact OD1-NH1 2.65Å; D221-M225 PolarHBondContact O-N 3.34Å; D221-R310 IonicContact OD1-NH1 3.52Å; D221-R310 PolarHBondContact OD1-NH1 3.07Å; D221-R321 IonicContact OD1-NH2 3.08Å; D221-R321 PolarHBondContact OD1-NH2 2.74Å; D221-R321 IonicContact OD2-CZ 2.76Å; D221-R321 IonicContact OD2-NE 3.35Å; D221-R321 PolarHBondContact OD2-NE 3.35Å; D221-R321 IonicContact OD2-NH2 2.7Å; D221-R321 PolarHBondContact OD2-NH2 3.33Å |
| 222 | L | 84 | Confident | 78.5 | Confident | 18 Ų | 18 | 44.6 Ų | 44.6 | 9% | 0.094 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.4 | -42.4 | 174.5 | -175.7 | 65.3 | 0 | 0 | 0 | 111.3 | L196 L203 F217 N218 F220 R224 M225 L226 | L196-L222 HydrophobicContact CD1-CD1 4.06Å; L203-L222 HydrophobicContact CD2-CD1 4Å; L203-L222 HydrophobicContact CD2-CD2 3.89Å; L203-L222 HydrophobicContact CG-CD2 4.49Å; F217-L222 HydrophobicContact CD1-CB 4.15Å; F217-L222 HydrophobicContact CD1-CD1 4.35Å; N218-L222 WeakPolarHBondContact O-CB 3.42Å; N218-L222 PolarHBondContact O-N 3.23Å; N218-L222 VanDerWaalsContact O-N 3.16Å; F220-L222 VanDerWaalsContact C-N 3.27Å; F220-L222 PolarHBondContact O-N 3.32Å; L222-R224 VanDerWaalsContact C-N 3.25Å; L222-R224 PolarHBondContact O-N 3.44Å; L222-M225 PolarHBondContact O-N 2.94Å; L222-L226 HydrophobicContact CD1-CD1 3.67Å; L222-L226 HydrophobicContact CD1-CG 4.35Å; L222-L226 HydrophobicContact CG-CD1 4.27Å; L222-L226 PolarHBondContact O-N 2.96Å |
| 223 | G | 80.4 | Confident | 79.1 | Confident | 34 Ų | 34 | 40.6 Ų | 40.6 | 35% | 0.351 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.1 | -25.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S219 F220 H227 | S219-G223 PolarHBondContact O-N 3.29Å; F220-G223 CarbonylContact O-C 3.57Å; F220-G223 WeakPolarHBondContact O-CA 3.43Å; F220-G223 PolarHBondContact O-N 3.28Å; F220-G223 VanDerWaalsContact O-N 3.1Å; G223-H227 VanDerWaalsContact O-CA 3.24Å; G223-H227 WeakPolarHBondContact O-CA 3.45Å; G223-H227 VanDerWaalsContact O-CB 3.25Å; G223-H227 WeakPolarHBondContact O-CB 3.42Å; G223-H227 PolarHBondContact O-N 3.46Å; G223-H227 VanDerWaalsContact O-N 3.14Å |
| 224 | R | 85.3 | Confident | 79.2 | Confident | 9 Ų | 9 | 42.6 Ų | 42.6 | 3% | 0.034 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -73.2 | -39.8 | 172 | -65.4 | 174.5 | 63.3 | -154.8 | -0.9 | 112.4 | D152 H156 Y185 F220 D221 L222 | D152-R224 IonicContact OD1-CZ 3.85Å; D152-R224 VanDerWaalsContact OD1-CZ 3.3Å; D152-R224 IonicContact OD1-NE 2.9Å; D152-R224 PolarHBondContact OD1-NE 3.1Å; D152-R224 VanDerWaalsContact OD1-NE 3.08Å; D152-R224 IonicContact OD1-NH2 3.25Å; D152-R224 PolarHBondContact OD1-NH2 3.12Å; D152-R224 WeakPolarHBondContact OD2-CG 3.31Å; D152-R224 IonicContact OD2-CZ 3.43Å; D152-R224 IonicContact OD2-NE 3.49Å; D152-R224 PolarHBondContact OD2-NE 3.39Å; D152-R224 IonicContact OD2-NH2 3.67Å; H156-R224 PolarHBondContact NE2-O 3.31Å; Y185-R224 PolarHBondContact OH-NH2 2.84Å; F220-R224 WeakPolarHBondContact O-CG 3.37Å; F220-R224 PolarHBondContact O-N 3Å; D221-R224 PolarHBondContact O-N 2.99Å; D221-R224 IonicContact OD1-NH1 2.65Å; L222-R224 VanDerWaalsContact C-N 3.25Å; L222-R224 PolarHBondContact O-N 3.44Å |
| 225 | M | 84 | Confident | 79.3 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -73.6 | -39.6 | 178.4 | -63 | -59.2 | 97.4 | 0 | 0 | 112.5 | H156 F189 L192 V193 L196 F217 D221 L222 T231 | H156-M225 PolarHBondContact CE1-O 2.68Å; F189-M225 HydrophobicContact CD2-CE 3.54Å; F189-M225 HydrophobicContact CE1-CE 4.42Å; F189-M225 HydrophobicContact CE2-CE 3.39Å; F189-M225 HydrophobicContact CG-CE 4.14Å; F189-M225 HydrophobicContact CZ-CE 3.87Å; L192-M225 HydrophobicContact CB-CE 3.81Å; L192-M225 HydrophobicContact CB-CG 3.92Å; L192-M225 HydrophobicContact CB-SD 3.5Å; L192-M225 WeakPolarHBondContact CB-SD 3.32Å; L192-M225 HydrophobicContact CD1-CE 3.83Å; V193-M225 HydrophobicContact CB-SD 4.38Å; V193-M225 HydrophobicContact CG2-SD 3.53Å; V193-M225 VanDerWaalsContact CG2-SD 3.53Å; L196-M225 HydrophobicContact CD1-CB 4.05Å; L196-M225 HydrophobicContact CD1-CG 4.36Å; L196-M225 HydrophobicContact CD2-CB 4.37Å; F217-M225 HydrophobicContact CE1-CG 4.05Å; D221-M225 PolarHBondContact O-N 3.34Å; L222-M225 PolarHBondContact O-N 2.94Å; M225-T231 WeakPolarHBondContact O-CB 3.47Å; M225-T231 PolarHBondContact O-OG1 3.29Å |
| 226 | L | 80.2 | Confident | 79.4 | Confident | 22 Ų | 22 | 41.3 Ų | 41.3 | 12% | 0.115 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | 32.3 | -173.3 | -57.4 | 176.6 | 0 | 0 | 0 | 112.1 | L196 F200 V204 L222 E228 | L196-L226 HydrophobicContact CD1-CD1 4.47Å; L196-L226 HydrophobicContact CD1-CG 4.5Å; L196-L226 HydrophobicContact CD2-CD2 4.23Å; F200-L226 HydrophobicContact CB-CD1 4.06Å; F200-L226 HydrophobicContact CD2-CD1 4.37Å; F200-L226 HydrophobicContact CD2-CD2 3.65Å; F200-L226 HydrophobicContact CE2-CD2 4.19Å; F200-L226 HydrophobicContact CG-CD2 4.25Å; V204-L226 HydrophobicContact CG2-CB 4.34Å; V204-L226 HydrophobicContact CG2-CD1 3.81Å; V204-L226 HydrophobicContact CG2-CG 4.46Å; L222-L226 HydrophobicContact CD1-CD1 3.67Å; L222-L226 HydrophobicContact CD1-CG 4.35Å; L222-L226 HydrophobicContact CG-CD1 4.27Å; L222-L226 PolarHBondContact O-N 2.96Å; L226-E228 PolarHBondContact O-N 3.35Å; L226-E228 VanDerWaalsContact O-N 3.17Å |
| 227 | H | 75.6 | Confident | 79.5 | Confident | 54 Ų | 54 | 47.7 Ų | 47.7 | 25% | 0.25 | 26% | 0.26 | C | S | . | . | trans | -60.9 | 116.6 | -179.1 | -170.6 | -95.5 | 0 | 0 | 0 | 111.3 | G223 Q229 F230 T231 | G223-H227 VanDerWaalsContact O-CA 3.24Å; G223-H227 WeakPolarHBondContact O-CA 3.45Å; G223-H227 VanDerWaalsContact O-CB 3.25Å; G223-H227 WeakPolarHBondContact O-CB 3.42Å; G223-H227 PolarHBondContact O-N 3.46Å; G223-H227 VanDerWaalsContact O-N 3.14Å; H227-Q229 PolarHBondContact O-N 3.47Å; H227-F230 HydrophobicContact CB-CB 4.22Å; H227-F230 AromaticContact CE1-CD2 3.49Å; H227-F230 VanDerWaalsContact CE1-CD2 3.49Å; H227-F230 WeakPolarHBondContact CE1-CD2 3.29Å; H227-F230 AromaticContact CE1-CE1 3.96Å; H227-F230 AromaticContact CE1-CE2 3.45Å; H227-F230 VanDerWaalsContact CE1-CE2 3.45Å; H227-F230 WeakPolarHBondContact CE1-CE2 3.46Å; H227-F230 AromaticContact CE1-CG 3.76Å; H227-F230 AromaticContact CE1-CZ 3.69Å; H227-F230 AromaticContact CG-CD2 3.94Å; H227-F230 AromaticContact ND1-CD1 3.73Å; H227-F230 AromaticContact ND1-CD2 3.19Å; H227-F230 WeakPolarHBondContact ND1-CD2 3.19Å; H227-F230 AromaticContact ND1-CE2 3.69Å; H227-F230 AromaticContact ND1-CG 3.19Å; H227-F230 WeakPolarHBondContact ND1-CG 3.42Å; H227-F230 PolarHBondContact O-N 2.85Å; H227-T231 PolarHBondContact O-N 2.92Å | ||
| 228 | E | 66.8 | Low | 79.4 | Confident | 187 Ų | 187 | 50.2 Ų | 50.2 | 87% | 0.874 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.2 | -39.7 | -169.5 | -59.7 | -176.8 | 152.3 | 0 | 0 | 114.4 | L226 | L226-E228 PolarHBondContact O-N 3.35Å; L226-E228 VanDerWaalsContact O-N 3.17Å |
| 229 | Q | 67.5 | Low | 79.7 | Confident | 138 Ų | 138 | 49.6 Ų | 49.6 | 65% | 0.645 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -20.3 | -176.3 | -57.8 | -179 | 5.9 | 0 | 0 | 113.7 | R120 H227 | R120-Q229 PolarHBondContact NH2-O 2.93Å; H227-Q229 PolarHBondContact O-N 3.47Å |
| 230 | F | 68.4 | Low | 80.1 | Confident | 24 Ų | 24 | 48.1 Ų | 48.1 | 11% | 0.105 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | -23.5 | -160.9 | -56.5 | -12.8 | 0 | 0 | 0 | 115.1 | C149 H156 H227 C232 | C149-F230 HydrophobicContact CB-CE2 3.92Å; C149-F230 WeakPolarHBondContact O-CD2 3.44Å; C149-F230 WeakPolarHBondContact O-CE2 3.42Å; H156-F230 WeakPolarHBondContact CB-O 3.44Å; H227-F230 HydrophobicContact CB-CB 4.22Å; H227-F230 AromaticContact CE1-CD2 3.49Å; H227-F230 VanDerWaalsContact CE1-CD2 3.49Å; H227-F230 WeakPolarHBondContact CE1-CD2 3.29Å; H227-F230 AromaticContact CE1-CE1 3.96Å; H227-F230 AromaticContact CE1-CE2 3.45Å; H227-F230 VanDerWaalsContact CE1-CE2 3.45Å; H227-F230 WeakPolarHBondContact CE1-CE2 3.46Å; H227-F230 AromaticContact CE1-CG 3.76Å; H227-F230 AromaticContact CE1-CZ 3.69Å; H227-F230 AromaticContact CG-CD2 3.94Å; H227-F230 AromaticContact ND1-CD1 3.73Å; H227-F230 AromaticContact ND1-CD2 3.19Å; H227-F230 WeakPolarHBondContact ND1-CD2 3.19Å; H227-F230 AromaticContact ND1-CE2 3.69Å; H227-F230 AromaticContact ND1-CG 3.19Å; H227-F230 WeakPolarHBondContact ND1-CG 3.42Å; H227-F230 PolarHBondContact O-N 2.85Å; F230-C232 PolarHBondContact O-N 3.08Å |
| 231 | T | 73.9 | Confident | 80.5 | Confident | 39 Ų | 39 | 51.4 Ų | 51.4 | 24% | 0.239 | 27% | 0.268 | C | S | . | . | trans | -65.5 | 133.3 | -172.8 | -168.8 | 0 | 0 | 0 | 0 | 112.8 | M225 H227 I233 | M225-T231 WeakPolarHBondContact O-CB 3.47Å; M225-T231 PolarHBondContact O-OG1 3.29Å; H227-T231 PolarHBondContact O-N 2.92Å; T231-I233 VanDerWaalsContact C-N 3.34Å; T231-I233 PolarHBondContact OG1-N 2.78Å | ||
| 232 | C | 73.2 | Confident | 80.8 | Confident | 36 Ų | 36 | 52.3 Ų | 52.3 | 24% | 0.243 | 27% | 0.271 | C | S | . | . | trans | -94.4 | 6.9 | 169.7 | -66.9 | 0 | 0 | 0 | 0 | 112.4 | H156 P160 F230 Y242 | H156-C232 PolarHBondContact ND1-N 3.49Å; H156-C232 PolarHBondContact O-SG 3.06Å; P160-C232 HydrophobicContact CG-CB 4.18Å; F230-C232 PolarHBondContact O-N 3.08Å; C232-Y242 VanDerWaalsContact O-CE2 3.24Å; C232-Y242 WeakPolarHBondContact O-CE2 3.36Å; C232-Y242 PolarHBondContact O-OH 2.75Å | ||
| 233 | I | 81.5 | Confident | 81.3 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.015 | 27% | 0.267 | C | S | . | . | trans | -102.3 | 90.1 | -174.3 | -45 | 178.9 | 0 | 0 | 0 | 108.8 | L159 L196 F200 T231 L239 Y242 | L159-I233 HydrophobicContact CD1-CD1 4.14Å; L159-I233 HydrophobicContact CD1-CG1 4.18Å; L196-I233 HydrophobicContact CD2-CD1 4.04Å; L196-I233 HydrophobicContact CD2-CG2 4.35Å; F200-I233 HydrophobicContact CE1-CG2 4.04Å; F200-I233 HydrophobicContact CE2-CG2 4.26Å; F200-I233 WeakPolarHBondContact CE2-O 3.48Å; F200-I233 HydrophobicContact CZ-CG2 3.72Å; T231-I233 VanDerWaalsContact C-N 3.34Å; T231-I233 PolarHBondContact OG1-N 2.78Å; I233-L239 HydrophobicContact CD1-CD1 4.45Å; I233-L239 HydrophobicContact CG2-CB 3.93Å; I233-L239 HydrophobicContact CG2-CD1 4.04Å; I233-L239 HydrophobicContact CG2-CG 4.42Å; I233-Y242 HydrophobicContact CB-CE2 4.46Å; I233-Y242 HydrophobicContact CG1-CD2 4.06Å; I233-Y242 HydrophobicContact CG1-CE2 4.04Å | ||
| 234 | T | 78.9 | Confident | 81.8 | Confident | 81 Ų | 81 | 51.4 Ų | 51.4 | 50% | 0.497 | 26% | 0.259 | S | S | . | . | trans | -105.3 | -19.9 | -173.4 | 83.6 | 0 | 0 | 0 | 0 | 113.9 | Q201 E238 | Q201-T234 PolarHBondContact NE2-O 2.86Å; Q201-T234 PolarHBondContact OE1-O 3.28Å; T234-E238 WeakPolarHBondContact CA-OE2 3.39Å; T234-E238 WeakPolarHBondContact CB-OE2 3.2Å; T234-E238 PolarHBondContact N-OE2 2.83Å; T234-E238 PolarHBondContact OG1-OE1 3.35Å; T234-E238 PolarHBondContact OG1-OE2 2.6Å | ||
| 235 | S | 83.2 | Confident | 81.9 | Confident | 37 Ų | 37 | 51 Ų | 51 | 26% | 0.259 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -139.3 | 160 | -176.5 | 66.7 | 0 | 0 | 0 | 0 | 113.1 | E237 E238 L239 | S235-E237 PolarHBondContact O-N 2.93Å; S235-E238 PolarHBondContact N-OE2 3.08Å; S235-E238 PolarHBondContact O-N 3.1Å; S235-E238 WeakPolarHBondContact OG-CB 3.48Å; S235-E238 WeakPolarHBondContact OG-CG 3.46Å; S235-E238 PolarHBondContact OG-N 3.45Å; S235-E238 PolarHBondContact OG-OE2 3.5Å; S235-L239 PolarHBondContact O-N 3.04Å; S235-L239 VanDerWaalsContact O-N 3.15Å |
| 236 | S | 85.1 | Confident | 82.3 | Confident | 35 Ų | 35 | 51 Ų | 51 | 25% | 0.245 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.9 | -26.8 | 173.8 | 175.8 | 0 | 0 | 0 | 0 | 113 | E240 R272 | S236-E240 PolarHBondContact O-N 3.23Å; S236-R272 PolarHBondContact OG-NH2 2.99Å; S236-R272 VanDerWaalsContact OG-NH2 3.15Å |
| 237 | E | 84.9 | Confident | 82.8 | Confident | 134 Ų | 134 | 50 Ų | 50 | 63% | 0.626 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -79.8 | -36.7 | -178.6 | -64.4 | 178.4 | -157.6 | 0 | 0 | 111.8 | S235 E240 K241 | S235-E237 PolarHBondContact O-N 2.93Å; E237-E240 PolarHBondContact O-N 3.16Å; E237-K241 WeakPolarHBondContact O-CD 3.42Å; E237-K241 VanDerWaalsContact O-CG 3.27Å; E237-K241 WeakPolarHBondContact O-CG 3.49Å; E237-K241 PolarHBondContact O-N 3.07Å; E237-K241 VanDerWaalsContact O-N 3.08Å |
| 238 | E | 84.9 | Confident | 83.3 | Confident | 53 Ų | 53 | 49 Ų | 49 | 25% | 0.248 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 169.5 | -73.8 | 162.2 | 157.5 | 0 | 0 | 111 | T234 S235 E240 K241 Y242 | T234-E238 WeakPolarHBondContact CA-OE2 3.39Å; T234-E238 WeakPolarHBondContact CB-OE2 3.2Å; T234-E238 PolarHBondContact N-OE2 2.83Å; T234-E238 PolarHBondContact OG1-OE1 3.35Å; T234-E238 PolarHBondContact OG1-OE2 2.6Å; S235-E238 PolarHBondContact N-OE2 3.08Å; S235-E238 PolarHBondContact O-N 3.1Å; S235-E238 WeakPolarHBondContact OG-CB 3.48Å; S235-E238 WeakPolarHBondContact OG-CG 3.46Å; S235-E238 PolarHBondContact OG-N 3.45Å; S235-E238 PolarHBondContact OG-OE2 3.5Å; E238-E240 VanDerWaalsContact C-N 3.29Å; E238-E240 PolarHBondContact O-N 2.86Å; E238-K241 PolarHBondContact O-N 2.85Å; E238-K241 VanDerWaalsContact O-N 3.15Å; E238-Y242 HydrophobicContact CB-CD2 4.45Å; E238-Y242 HydrophobicContact CB-CE2 3.82Å; E238-Y242 VanDerWaalsContact O-CD2 3.29Å; E238-Y242 WeakPolarHBondContact O-CD2 3.33Å; E238-Y242 PolarHBondContact O-N 2.85Å |
| 239 | L | 88.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60 | -39.2 | 176.9 | -177.5 | 57.7 | 0 | 0 | 0 | 112.2 | V193 L196 Y198 F200 I233 S235 Y242 K243 | V193-L239 HydrophobicContact CG1-CD1 4.06Å; L196-L239 HydrophobicContact CB-CD1 4.45Å; L196-L239 HydrophobicContact CB-CD2 4.31Å; L196-L239 HydrophobicContact CD2-CD1 3.98Å; L196-L239 HydrophobicContact CD2-CD2 3.96Å; L196-L239 HydrophobicContact CG-CD2 4.18Å; Y198-L239 HydrophobicContact CD1-CB 4.38Å; Y198-L239 HydrophobicContact CD1-CD2 4.01Å; Y198-L239 HydrophobicContact CD1-CG 4.22Å; Y198-L239 HydrophobicContact CE1-CB 4.44Å; Y198-L239 HydrophobicContact CE1-CD2 4.33Å; Y198-L239 HydrophobicContact CE1-CG 4.12Å; F200-L239 HydrophobicContact CD1-CD2 3.81Å; F200-L239 HydrophobicContact CE1-CB 4.17Å; F200-L239 HydrophobicContact CE1-CD2 3.82Å; I233-L239 HydrophobicContact CD1-CD1 4.45Å; I233-L239 HydrophobicContact CG2-CB 3.93Å; I233-L239 HydrophobicContact CG2-CD1 4.04Å; I233-L239 HydrophobicContact CG2-CG 4.42Å; S235-L239 PolarHBondContact O-N 3.04Å; S235-L239 VanDerWaalsContact O-N 3.15Å; L239-Y242 PolarHBondContact O-N 2.79Å; L239-K243 HydrophobicContact CD1-CD 4.42Å; L239-K243 HydrophobicContact CD1-CG 4.24Å; L239-K243 HydrophobicContact CG-CD 4.35Å; L239-K243 WeakPolarHBondContact O-CB 3.45Å; L239-K243 WeakPolarHBondContact O-CG 3.4Å; L239-K243 PolarHBondContact O-N 3.14Å |
| 240 | E | 90.2 | Very high | 85.1 | Confident | 44 Ų | 44 | 33.8 Ų | 33.8 | 21% | 0.206 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.6 | -46.1 | 174.5 | -167.9 | 173.5 | 153.9 | 0 | 0 | 111.4 | Y198 S236 E237 E238 Y242 K243 V244 R272 S274 | Y198-E240 HydrophobicContact CE1-CB 3.97Å; S236-E240 PolarHBondContact O-N 3.23Å; E237-E240 PolarHBondContact O-N 3.16Å; E238-E240 VanDerWaalsContact C-N 3.29Å; E238-E240 PolarHBondContact O-N 2.86Å; E240-Y242 PolarHBondContact O-N 2.8Å; E240-K243 PolarHBondContact O-N 3.22Å; E240-V244 WeakPolarHBondContact O-CB 3.47Å; E240-V244 WeakPolarHBondContact O-CG2 3.36Å; E240-V244 PolarHBondContact O-N 2.8Å; E240-R272 HydrophobicContact CG-CB 4.19Å; E240-R272 HydrophobicContact CG-CG 4.05Å; E240-R272 WeakPolarHBondContact OE2-CD 3.32Å; E240-R272 WeakPolarHBondContact OE2-CG 3.43Å; E240-R272 IonicContact OE2-CZ 3.03Å; E240-R272 IonicContact OE2-NE 3.39Å; E240-R272 PolarHBondContact OE2-NE 2.87Å; E240-R272 IonicContact OE2-NH1 2.7Å; E240-R272 PolarHBondContact OE2-NH1 3.37Å; E240-S274 WeakPolarHBondContact CG-OG 3.47Å; E240-S274 WeakPolarHBondContact OE1-CB 3.46Å; E240-S274 PolarHBondContact OE1-OG 3.16Å |
| 241 | K | 89 | Confident | 85.9 | Confident | 127 Ų | 127 | 34.8 Ų | 34.8 | 55% | 0.552 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -60.3 | -42.4 | 175.4 | -68.8 | 161.5 | -169.9 | 163.2 | 0 | 112.3 | E237 E238 V244 G245 | E237-K241 WeakPolarHBondContact O-CD 3.42Å; E237-K241 VanDerWaalsContact O-CG 3.27Å; E237-K241 WeakPolarHBondContact O-CG 3.49Å; E237-K241 PolarHBondContact O-N 3.07Å; E237-K241 VanDerWaalsContact O-N 3.08Å; E238-K241 PolarHBondContact O-N 2.85Å; E238-K241 VanDerWaalsContact O-N 3.15Å; K241-V244 PolarHBondContact O-N 2.88Å; K241-G245 PolarHBondContact O-N 3.25Å |
| 242 | Y | 91.1 | Very high | 86.1 | Confident | 23 Ų | 23 | 35.6 Ų | 35.6 | 9% | 0.09 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70 | -38.8 | 179 | -56.4 | -28.2 | 0 | 0 | 0 | 112.2 | L159 P160 C232 I233 E238 L239 E240 G245 I246 | L159-Y242 HydrophobicContact CB-CD1 4.29Å; L159-Y242 HydrophobicContact CB-CD2 4.34Å; L159-Y242 HydrophobicContact CB-CG 4.17Å; L159-Y242 HydrophobicContact CD1-CD2 4.46Å; L159-Y242 WeakPolarHBondContact O-CD1 3.27Å; P160-Y242 HydrophobicContact CB-CE1 4.05Å; P160-Y242 HydrophobicContact CG-CE1 4.13Å; C232-Y242 VanDerWaalsContact O-CE2 3.24Å; C232-Y242 WeakPolarHBondContact O-CE2 3.36Å; C232-Y242 PolarHBondContact O-OH 2.75Å; I233-Y242 HydrophobicContact CB-CE2 4.46Å; I233-Y242 HydrophobicContact CG1-CD2 4.06Å; I233-Y242 HydrophobicContact CG1-CE2 4.04Å; E238-Y242 HydrophobicContact CB-CD2 4.45Å; E238-Y242 HydrophobicContact CB-CE2 3.82Å; E238-Y242 VanDerWaalsContact O-CD2 3.29Å; E238-Y242 WeakPolarHBondContact O-CD2 3.33Å; E238-Y242 PolarHBondContact O-N 2.85Å; L239-Y242 PolarHBondContact O-N 2.79Å; E240-Y242 PolarHBondContact O-N 2.8Å; Y242-G245 PolarHBondContact O-N 3.44Å; Y242-I246 WeakPolarHBondContact O-CB 3.46Å; Y242-I246 VanDerWaalsContact O-CG1 3.25Å; Y242-I246 WeakPolarHBondContact O-CG1 3.19Å; Y242-I246 PolarHBondContact O-N 3.01Å |
| 243 | K | 94.2 | Very high | 86.2 | Confident | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.013 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.9 | -40.2 | 173.5 | -74.6 | 179.7 | 177 | -158.5 | 0 | 112.1 | V193 M194 L196 Y198 L239 E240 M247 D270 V275 | V193-K243 WeakPolarHBondContact O-CE 3.48Å; M194-K243 HydrophobicContact CE-CB 4.16Å; M194-K243 HydrophobicContact CE-CG 4.29Å; M194-K243 VanDerWaalsContact O-CE 3.29Å; M194-K243 WeakPolarHBondContact O-CE 3.27Å; M194-K243 PolarHBondContact O-NZ 3.21Å; M194-K243 HydrophobicContact SD-CB 4Å; M194-K243 HydrophobicContact SD-CG 3.89Å; L196-K243 WeakPolarHBondContact O-CE 3.4Å; L196-K243 PolarHBondContact O-NZ 3Å; Y198-K243 HydrophobicContact CE1-CD 4.28Å; Y198-K243 VanDerWaalsContact OH-CD 3.27Å; Y198-K243 WeakPolarHBondContact OH-CD 3.46Å; L239-K243 HydrophobicContact CD1-CD 4.42Å; L239-K243 HydrophobicContact CD1-CG 4.24Å; L239-K243 HydrophobicContact CG-CD 4.35Å; L239-K243 WeakPolarHBondContact O-CB 3.45Å; L239-K243 WeakPolarHBondContact O-CG 3.4Å; L239-K243 PolarHBondContact O-N 3.14Å; E240-K243 PolarHBondContact O-N 3.22Å; K243-M247 WeakPolarHBondContact O-CB 3.48Å; K243-M247 PolarHBondContact O-N 3Å; K243-D270 IonicContact NZ-OD2 3.78Å; K243-D270 PolarHBondContact NZ-OD2 3.4Å; K243-V275 HydrophobicContact CB-CG1 4.24Å; K243-V275 HydrophobicContact CB-CG2 3.61Å; K243-V275 HydrophobicContact CD-CG2 4.4Å |
| 244 | V | 91.1 | Very high | 85.8 | Confident | 31 Ų | 31 | 40.8 Ų | 40.8 | 19% | 0.188 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.9 | -47.7 | 171.4 | 164.2 | 0 | 0 | 0 | 0 | 110.8 | E240 K241 M247 T248 V275 I278 | E240-V244 WeakPolarHBondContact O-CB 3.47Å; E240-V244 WeakPolarHBondContact O-CG2 3.36Å; E240-V244 PolarHBondContact O-N 2.8Å; K241-V244 PolarHBondContact O-N 2.88Å; V244-M247 PolarHBondContact O-N 3.18Å; V244-T248 WeakPolarHBondContact O-CB 3.31Å; V244-T248 PolarHBondContact O-N 3.24Å; V244-T248 PolarHBondContact O-OG1 3.38Å; V244-V275 HydrophobicContact CG2-CG2 4.02Å; V244-I278 HydrophobicContact CB-CD1 4.48Å; V244-I278 HydrophobicContact CG1-CD1 3.81Å; V244-I278 HydrophobicContact CG2-CD1 4.42Å |
| 245 | G | 87.9 | Confident | 85.8 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.9 | -45.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | V162 K241 Y242 M247 T248 F249 | V162-G245 VanDerWaalsContact CG1-O 3.31Å; V162-G245 WeakPolarHBondContact CG1-O 3.44Å; K241-G245 PolarHBondContact O-N 3.25Å; Y242-G245 PolarHBondContact O-N 3.44Å; G245-M247 VanDerWaalsContact C-N 3.33Å; G245-M247 PolarHBondContact O-N 3.13Å; G245-T248 CarbonylContact O-C 3.47Å; G245-T248 PolarHBondContact O-N 3.27Å; G245-F249 WeakPolarHBondContact O-CB 3.4Å; G245-F249 PolarHBondContact O-N 3.45Å |
| 246 | I | 91 | Very high | 85.7 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.3 | -44.3 | 174.5 | -72.8 | 166.3 | 0 | 0 | 0 | 110.9 | L159 F190 V193 M194 Y242 F249 Y250 | L159-I246 HydrophobicContact CD2-CD1 3.85Å; L159-I246 HydrophobicContact CD2-CG1 4.35Å; F190-I246 HydrophobicContact CB-CD1 4.29Å; F190-I246 HydrophobicContact CB-CG2 3.94Å; F190-I246 HydrophobicContact CD1-CD1 3.69Å; F190-I246 HydrophobicContact CD1-CG1 3.91Å; F190-I246 HydrophobicContact CD2-CG1 4.44Å; F190-I246 HydrophobicContact CD2-CG2 4.21Å; F190-I246 HydrophobicContact CE1-CD1 4.27Å; F190-I246 HydrophobicContact CE1-CG1 4.17Å; F190-I246 HydrophobicContact CG-CD1 4.07Å; F190-I246 HydrophobicContact CG-CG1 4.08Å; F190-I246 HydrophobicContact CG-CG2 4.07Å; V193-I246 HydrophobicContact CB-CD1 3.8Å; V193-I246 HydrophobicContact CG1-CD1 3.57Å; V193-I246 HydrophobicContact CG2-CD1 4.37Å; M194-I246 HydrophobicContact CG-CG2 4.24Å; M194-I246 HydrophobicContact SD-CB 4.14Å; M194-I246 HydrophobicContact SD-CG2 3.77Å; Y242-I246 WeakPolarHBondContact O-CB 3.46Å; Y242-I246 VanDerWaalsContact O-CG1 3.25Å; Y242-I246 WeakPolarHBondContact O-CG1 3.19Å; Y242-I246 PolarHBondContact O-N 3.01Å; I246-F249 WeakPolarHBondContact O-CB 3.38Å; I246-F249 PolarHBondContact O-N 3.32Å; I246-Y250 HydrophobicContact CG2-CD2 3.94Å; I246-Y250 HydrophobicContact CG2-CE2 3.8Å; I246-Y250 VanDerWaalsContact O-CD2 3.29Å; I246-Y250 WeakPolarHBondContact O-CD2 2.96Å; I246-Y250 PolarHBondContact O-N 3.39Å |
| 247 | M | 90.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.6 | -43.9 | 177.6 | -159.3 | 57.1 | 44.2 | 0 | 0 | 111.6 | M194 K243 V244 G245 F249 Y250 T251 V264 I278 A279 | M194-M247 HydrophobicContact CE-CE 3.4Å; M194-M247 VanDerWaalsContact CE-CE 3.4Å; M194-M247 HydrophobicContact SD-CE 4.19Å; K243-M247 WeakPolarHBondContact O-CB 3.48Å; K243-M247 PolarHBondContact O-N 3Å; V244-M247 PolarHBondContact O-N 3.18Å; G245-M247 VanDerWaalsContact C-N 3.33Å; G245-M247 PolarHBondContact O-N 3.13Å; M247-F249 PolarHBondContact O-N 3.09Å; M247-Y250 PolarHBondContact O-N 3.11Å; M247-Y250 VanDerWaalsContact O-N 3.14Å; M247-T251 WeakPolarHBondContact O-CG2 3.05Å; M247-T251 PolarHBondContact O-N 2.92Å; M247-V264 HydrophobicContact SD-CB 4.36Å; M247-V264 HydrophobicContact SD-CG1 4.47Å; M247-V264 HydrophobicContact SD-CG2 3.83Å; M247-I278 HydrophobicContact CB-CB 4.37Å; M247-I278 HydrophobicContact CB-CG2 4.11Å; M247-I278 HydrophobicContact CG-CB 3.81Å; M247-I278 HydrophobicContact CG-CG2 3.6Å; M247-A279 HydrophobicContact CE-CB 4.09Å; M247-A279 HydrophobicContact CG-CB 4.05Å; M247-A279 HydrophobicContact SD-CB 3.62Å |
| 248 | T | 86.8 | Confident | 85.4 | Confident | 32 Ų | 32 | 35.4 Ų | 35.4 | 20% | 0.196 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.1 | -16 | 175.2 | -52.7 | 0 | 0 | 0 | 0 | 113.1 | V244 G245 T251 R252 | V244-T248 WeakPolarHBondContact O-CB 3.31Å; V244-T248 PolarHBondContact O-N 3.24Å; V244-T248 PolarHBondContact O-OG1 3.38Å; G245-T248 CarbonylContact O-C 3.47Å; G245-T248 PolarHBondContact O-N 3.27Å; T248-T251 WeakPolarHBondContact CA-OG1 3.35Å; T248-T251 PolarHBondContact O-OG1 3.2Å; T248-R252 WeakPolarHBondContact O-CD 3.38Å; T248-R252 WeakPolarHBondContact O-CG 2.98Å; T248-R252 PolarHBondContact O-NE 2.92Å |
| 249 | F | 86.4 | Confident | 85.2 | Confident | 3 Ų | 3 | 34.7 Ų | 34.7 | 1% | 0.013 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -85.4 | -39.1 | 171.2 | 173.4 | -104.4 | 0 | 0 | 0 | 111.8 | F139 V162 L165 F190 G245 I246 M247 R252 F254 F255 | F139-F249 HydrophobicContact CZ-CZ 4.5Å; V162-F249 HydrophobicContact CG1-CB 3.42Å; V162-F249 VanDerWaalsContact CG1-CB 3.42Å; V162-F249 HydrophobicContact CG1-CD2 4.26Å; V162-F249 HydrophobicContact CG1-CG 3.89Å; L165-F249 HydrophobicContact CD1-CD2 3.69Å; L165-F249 HydrophobicContact CD1-CE2 3.95Å; F190-F249 HydrophobicContact CD2-CD1 4.48Å; F190-F249 AromaticContact CE2-CD1 3.88Å; F190-F249 HydrophobicContact CE2-CD1 3.88Å; F190-F249 AromaticContact CE2-CE1 3.76Å; F190-F249 HydrophobicContact CE2-CE1 3.76Å; G245-F249 WeakPolarHBondContact O-CB 3.4Å; G245-F249 PolarHBondContact O-N 3.45Å; I246-F249 WeakPolarHBondContact O-CB 3.38Å; I246-F249 PolarHBondContact O-N 3.32Å; M247-F249 PolarHBondContact O-N 3.09Å; F249-R252 WeakPolarHBondContact O-CB 3.26Å; F249-R252 PolarHBondContact O-N 3.06Å; F249-F254 AromaticContact CD2-CD2 3.85Å; F249-F254 HydrophobicContact CD2-CD2 3.85Å; F249-F254 HydrophobicContact CD2-CE2 4.05Å; F249-F254 AromaticContact CE2-CD2 3.5Å; F249-F254 HydrophobicContact CE2-CD2 3.5Å; F249-F254 VanDerWaalsContact CE2-CD2 3.5Å; F249-F254 AromaticContact CE2-CE2 3.89Å; F249-F254 HydrophobicContact CE2-CE2 3.89Å; F249-F254 HydrophobicContact CE2-CG 4.41Å; F249-F254 HydrophobicContact CZ-CD2 4.11Å; F249-F255 HydrophobicContact CE1-CD2 4.15Å; F249-F255 AromaticContact CE1-CE2 3.49Å; F249-F255 HydrophobicContact CE1-CE2 3.49Å; F249-F255 VanDerWaalsContact CE1-CE2 3.49Å; F249-F255 HydrophobicContact CE1-CZ 4.32Å; F249-F255 AromaticContact CZ-CE2 3.79Å; F249-F255 HydrophobicContact CZ-CE2 3.79Å |
| 250 | Y | 86.5 | Confident | 85.1 | Confident | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.8 | -34.3 | 173 | -79.4 | -66.4 | 0 | 0 | 0 | 113.4 | S187 F190 I246 M247 R252 R253 F255 P263 | S187-Y250 WeakPolarHBondContact CA-OH 3.44Å; F190-Y250 HydrophobicContact CB-CE2 4.32Å; F190-Y250 HydrophobicContact CD2-CE2 4.04Å; I246-Y250 HydrophobicContact CG2-CD2 3.94Å; I246-Y250 HydrophobicContact CG2-CE2 3.8Å; I246-Y250 VanDerWaalsContact O-CD2 3.29Å; I246-Y250 WeakPolarHBondContact O-CD2 2.96Å; I246-Y250 PolarHBondContact O-N 3.39Å; M247-Y250 PolarHBondContact O-N 3.11Å; M247-Y250 VanDerWaalsContact O-N 3.14Å; Y250-R252 PolarHBondContact O-N 3.44Å; Y250-R253 PolarHBondContact O-N 3.38Å; Y250-F255 HydrophobicContact CD1-CB 4.4Å; Y250-F255 HydrophobicContact CD1-CD2 4.47Å; Y250-F255 HydrophobicContact CD1-CG 4.46Å; Y250-F255 HydrophobicContact CE1-CB 4.15Å; Y250-F255 HydrophobicContact CE1-CD1 4.25Å; Y250-F255 HydrophobicContact CE1-CD2 4.01Å; Y250-F255 AromaticContact CE1-CG 3.87Å; Y250-F255 HydrophobicContact CE1-CG 3.87Å; Y250-P263 HydrophobicContact CD2-CB 3.93Å; Y250-P263 HydrophobicContact CE1-CG 4.27Å; Y250-P263 HydrophobicContact CE2-CB 3.5Å; Y250-P263 VanDerWaalsContact CE2-CB 3.5Å; Y250-P263 HydrophobicContact CE2-CG 3.82Å |
| 251 | T | 83.8 | Confident | 85.1 | Confident | 45 Ų | 45 | 32.8 Ų | 32.8 | 28% | 0.276 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -9.6 | 173.3 | 57.5 | 0 | 0 | 0 | 0 | 114 | M247 T248 I278 E282 | M247-T251 WeakPolarHBondContact O-CG2 3.05Å; M247-T251 PolarHBondContact O-N 2.92Å; T248-T251 WeakPolarHBondContact CA-OG1 3.35Å; T248-T251 PolarHBondContact O-OG1 3.2Å; T251-I278 HydrophobicContact CG2-CG2 3.93Å; T251-E282 WeakPolarHBondContact CA-OE2 3.49Å; T251-E282 HydrophobicContact CG2-CB 3.98Å; T251-E282 HydrophobicContact CG2-CG 4.14Å; T251-E282 WeakPolarHBondContact CG2-OE2 3.46Å |
| 252 | R | 78.5 | Confident | 85.2 | Confident | 56 Ų | 56 | 27.2 Ų | 27.2 | 21% | 0.211 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -1.9 | 177.5 | -57.7 | 166.2 | -166.9 | -123.2 | 12.6 | 113.6 | D163 L165 T248 F249 Y250 F254 | D163-R252 PolarHBondContact O-NH2 3.16Å; D163-R252 VanDerWaalsContact O-NH2 3.15Å; L165-R252 VanDerWaalsContact C-NH1 3.25Å; L165-R252 VanDerWaalsContact O-CZ 3.23Å; L165-R252 PolarHBondContact O-NH1 3.2Å; L165-R252 PolarHBondContact O-NH2 3.07Å; T248-R252 WeakPolarHBondContact O-CD 3.38Å; T248-R252 WeakPolarHBondContact O-CG 2.98Å; T248-R252 PolarHBondContact O-NE 2.92Å; F249-R252 WeakPolarHBondContact O-CB 3.26Å; F249-R252 PolarHBondContact O-N 3.06Å; Y250-R252 PolarHBondContact O-N 3.44Å; R252-F254 VanDerWaalsContact C-N 3.3Å; R252-F254 HydrophobicContact CB-CD2 3.91Å; R252-F254 HydrophobicContact CB-CE2 3.7Å; R252-F254 HydrophobicContact CB-CZ 4.4Å; R252-F254 HydrophobicContact CG-CE2 4.4Å; R252-F254 PolarHBondContact O-N 3.16Å |
| 253 | R | 76.5 | Confident | 85.1 | Confident | 129 Ų | 129 | 26.1 Ų | 26.1 | 49% | 0.487 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 30.4 | 171.5 | -56.1 | -175.7 | 178.4 | 174 | 1.9 | 116.3 | Y250 F255 E282 | Y250-R253 PolarHBondContact O-N 3.38Å; R253-F255 PolarHBondContact O-N 2.9Å; R253-F255 VanDerWaalsContact O-N 3.09Å; R253-E282 IonicContact NE-OE1 2.67Å; R253-E282 IonicContact NH2-OE1 3.81Å; R253-E282 PolarHBondContact NH2-OE1 3.35Å |
| 254 | F | 72.9 | Confident | 85 | Confident | 18 Ų | 18 | 26 Ų | 26 | 8% | 0.079 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -63.5 | -7.3 | 165.4 | -61.7 | -64.7 | 0 | 0 | 0 | 113.8 | L169 F249 R252 | L169-F254 HydrophobicContact CB-CZ 4.34Å; F249-F254 AromaticContact CD2-CD2 3.85Å; F249-F254 HydrophobicContact CD2-CD2 3.85Å; F249-F254 HydrophobicContact CD2-CE2 4.05Å; F249-F254 AromaticContact CE2-CD2 3.5Å; F249-F254 HydrophobicContact CE2-CD2 3.5Å; F249-F254 VanDerWaalsContact CE2-CD2 3.5Å; F249-F254 AromaticContact CE2-CE2 3.89Å; F249-F254 HydrophobicContact CE2-CE2 3.89Å; F249-F254 HydrophobicContact CE2-CG 4.41Å; F249-F254 HydrophobicContact CZ-CD2 4.11Å; R252-F254 VanDerWaalsContact C-N 3.3Å; R252-F254 HydrophobicContact CB-CD2 3.91Å; R252-F254 HydrophobicContact CB-CE2 3.7Å; R252-F254 HydrophobicContact CB-CZ 4.4Å; R252-F254 HydrophobicContact CG-CE2 4.4Å; R252-F254 PolarHBondContact O-N 3.16Å |
| 255 | F | 78.5 | Confident | 85 | Confident | 8 Ų | 8 | 24.8 Ų | 24.8 | 4% | 0.035 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -126.4 | 143 | -179.2 | -73.5 | -106 | 0 | 0 | 0 | 108.9 | R183 I186 F249 Y250 R253 E259 | R183-F255 HydrophobicContact CB-CD1 4.11Å; R183-F255 HydrophobicContact CB-CE1 3.62Å; R183-F255 HydrophobicContact CB-CZ 4.36Å; R183-F255 HydrophobicContact CG-CD1 4.25Å; R183-F255 HydrophobicContact CG-CE1 3.8Å; R183-F255 HydrophobicContact CG-CZ 4.14Å; R183-F255 WeakPolarHBondContact O-CE1 3.29Å; I186-F255 HydrophobicContact CB-CE1 4.43Å; I186-F255 HydrophobicContact CB-CZ 4.06Å; I186-F255 HydrophobicContact CD1-CZ 4.3Å; I186-F255 HydrophobicContact CG2-CE1 4.42Å; I186-F255 HydrophobicContact CG2-CZ 3.75Å; F249-F255 HydrophobicContact CE1-CD2 4.15Å; F249-F255 AromaticContact CE1-CE2 3.49Å; F249-F255 HydrophobicContact CE1-CE2 3.49Å; F249-F255 VanDerWaalsContact CE1-CE2 3.49Å; F249-F255 HydrophobicContact CE1-CZ 4.32Å; F249-F255 AromaticContact CZ-CE2 3.79Å; F249-F255 HydrophobicContact CZ-CE2 3.79Å; Y250-F255 HydrophobicContact CD1-CB 4.4Å; Y250-F255 HydrophobicContact CD1-CD2 4.47Å; Y250-F255 HydrophobicContact CD1-CG 4.46Å; Y250-F255 HydrophobicContact CE1-CB 4.15Å; Y250-F255 HydrophobicContact CE1-CD1 4.25Å; Y250-F255 HydrophobicContact CE1-CD2 4.01Å; Y250-F255 AromaticContact CE1-CG 3.87Å; Y250-F255 HydrophobicContact CE1-CG 3.87Å; R253-F255 PolarHBondContact O-N 2.9Å; R253-F255 VanDerWaalsContact O-N 3.09Å; F255-E259 HydrophobicContact CD1-CB 4.38Å |
| 256 | P | 80.7 | Confident | 85.2 | Confident | 48 Ų | 48 | 24.9 Ų | 24.9 | 31% | 0.312 | 12% | 0.122 | S | C | . | . | trans | -62.1 | 160.8 | 174.1 | 27.9 | -34.8 | 0 | 0 | 0 | 111.5 | E258 E259 S260 | P256-E258 VanDerWaalsContact C-N 3.28Å; P256-E258 PolarHBondContact O-N 3.09Å; P256-E259 HydrophobicContact CG-CB 4.02Å; P256-E259 HydrophobicContact CG-CG 3.84Å; P256-E259 PolarHBondContact O-N 3.17Å; P256-E259 VanDerWaalsContact O-N 3.16Å; P256-S260 PolarHBondContact O-N 2.77Å; P256-S260 VanDerWaalsContact O-N 3.12Å; P256-S260 PolarHBondContact O-OG 3.17Å | ||
| 257 | A | 81.5 | Confident | 85.1 | Confident | 23 Ų | 23 | 24.9 Ų | 24.9 | 19% | 0.19 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.3 | -40.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E259 S260 I261 L286 L289 V290 | A257-E259 VanDerWaalsContact C-N 3.3Å; A257-E259 PolarHBondContact O-N 3.28Å; A257-S260 WeakPolarHBondContact CA-OG 3.38Å; A257-S260 PolarHBondContact O-N 3.14Å; A257-S260 PolarHBondContact O-OG 3.08Å; A257-I261 WeakPolarHBondContact O-CB 3.42Å; A257-I261 WeakPolarHBondContact O-CG2 3.45Å; A257-I261 PolarHBondContact O-N 3.4Å; A257-L286 HydrophobicContact CB-CD2 3.93Å; A257-L289 HydrophobicContact CB-CB 4.26Å; A257-V290 HydrophobicContact CB-CG2 3.77Å |
| 258 | E | 81.7 | Confident | 85.2 | Confident | 95 Ų | 95 | 29 Ų | 29 | 44% | 0.444 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -64.2 | -23.7 | 178.9 | -61.7 | 152.9 | -131.6 | 0 | 0 | 115.2 | P256 R300 | P256-E258 VanDerWaalsContact C-N 3.28Å; P256-E258 PolarHBondContact O-N 3.09Å; E258-R300 PolarHBondContact O-NH2 2.92Å |
| 259 | E | 81.4 | Confident | 85.2 | Confident | 39 Ų | 39 | 28.1 Ų | 28.1 | 18% | 0.182 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -98.3 | -26.3 | 178.7 | -71.8 | -169.1 | 156.6 | 0 | 0 | 112.7 | R183 S187 F255 P256 A257 P263 | R183-E259 IonicContact NE-OE2 2.7Å; S187-E259 PolarHBondContact OG-O 2.83Å; F255-E259 HydrophobicContact CD1-CB 4.38Å; P256-E259 HydrophobicContact CG-CB 4.02Å; P256-E259 HydrophobicContact CG-CG 3.84Å; P256-E259 PolarHBondContact O-N 3.17Å; P256-E259 VanDerWaalsContact O-N 3.16Å; A257-E259 VanDerWaalsContact C-N 3.3Å; A257-E259 PolarHBondContact O-N 3.28Å; E259-P263 WeakPolarHBondContact O-CD 3.41Å |
| 260 | S | 87.5 | Confident | 85.4 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -88 | -27.5 | -177.9 | 51.5 | 0 | 0 | 0 | 0 | 113.3 | P256 A257 I262 P263 V264 | P256-S260 PolarHBondContact O-N 2.77Å; P256-S260 VanDerWaalsContact O-N 3.12Å; P256-S260 PolarHBondContact O-OG 3.17Å; A257-S260 WeakPolarHBondContact CA-OG 3.38Å; A257-S260 PolarHBondContact O-N 3.14Å; A257-S260 PolarHBondContact O-OG 3.08Å; S260-I262 VanDerWaalsContact C-N 3.32Å; S260-I262 PolarHBondContact O-N 3.31Å; S260-P263 WeakPolarHBondContact O-CD 3.26Å; S260-V264 VanDerWaalsContact O-CG2 3.31Å; S260-V264 WeakPolarHBondContact O-CG2 3.4Å; S260-V264 PolarHBondContact O-N 2.91Å; S260-V264 VanDerWaalsContact O-N 3.14Å |
| 261 | I | 90.1 | Very high | 85.4 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.4 | -35.9 | -178.7 | -173 | 62.1 | 0 | 0 | 0 | 114.1 | A257 V264 L265 L283 L286 V290 W292 L297 | A257-I261 WeakPolarHBondContact O-CB 3.42Å; A257-I261 WeakPolarHBondContact O-CG2 3.45Å; A257-I261 PolarHBondContact O-N 3.4Å; I261-V264 PolarHBondContact O-N 2.8Å; I261-L265 HydrophobicContact CD1-CD1 4.45Å; I261-L265 HydrophobicContact CD1-CG 4.25Å; I261-L265 HydrophobicContact CG1-CD1 4.03Å; I261-L265 HydrophobicContact CG1-CG 4.3Å; I261-L265 WeakPolarHBondContact O-CB 3.48Å; I261-L265 VanDerWaalsContact O-CG 3.26Å; I261-L265 WeakPolarHBondContact O-CG 3.5Å; I261-L265 PolarHBondContact O-N 2.55Å; I261-L283 HydrophobicContact CD1-CD1 3.54Å; I261-L286 HydrophobicContact CD1-CB 3.95Å; I261-V290 HydrophobicContact CB-CG2 3.89Å; I261-V290 HydrophobicContact CD1-CG2 4.41Å; I261-V290 HydrophobicContact CG1-CG2 4.1Å; I261-V290 HydrophobicContact CG2-CG2 4.18Å; I261-W292 HydrophobicContact CD1-CH2 4.02Å; I261-W292 HydrophobicContact CD1-CZ2 4.25Å; I261-W292 HydrophobicContact CG1-CH2 3.79Å; I261-W292 HydrophobicContact CG1-CZ2 4.36Å; I261-L297 HydrophobicContact CG2-CD1 3.76Å; I261-L297 HydrophobicContact CG2-CD2 4.18Å |
| 262 | I | 89.5 | Confident | 85.7 | Confident | 10 Ų | 10 | 35.8 Ų | 35.8 | 5% | 0.051 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.4 | -54 | -179.1 | -67.8 | 173.4 | 0 | 0 | 0 | 111.7 | S260 V264 L265 F266 L297 R300 L301 | S260-I262 VanDerWaalsContact C-N 3.32Å; S260-I262 PolarHBondContact O-N 3.31Å; I262-V264 VanDerWaalsContact C-N 3.27Å; I262-V264 PolarHBondContact O-N 2.97Å; I262-L265 PolarHBondContact O-N 3.09Å; I262-F266 HydrophobicContact CG2-CD2 4.13Å; I262-F266 HydrophobicContact CG2-CE2 3.52Å; I262-F266 HydrophobicContact CG2-CZ 3.84Å; I262-F266 WeakPolarHBondContact O-CG 3.47Å; I262-F266 PolarHBondContact O-N 3.08Å; I262-L297 HydrophobicContact CD1-CD1 3.98Å; I262-L297 HydrophobicContact CG1-CD1 4.14Å; I262-R300 HydrophobicContact CD1-CB 3.69Å; I262-L301 HydrophobicContact CG1-CD1 4.37Å |
| 263 | P | 90.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -52 | -41 | 169.7 | -28.5 | 32.2 | 0 | 0 | 0 | 114.1 | S187 Y250 E259 S260 F266 G267 | S187-P263 WeakPolarHBondContact OG-CG 3.4Å; Y250-P263 HydrophobicContact CD2-CB 3.93Å; Y250-P263 HydrophobicContact CE1-CG 4.27Å; Y250-P263 HydrophobicContact CE2-CB 3.5Å; Y250-P263 VanDerWaalsContact CE2-CB 3.5Å; Y250-P263 HydrophobicContact CE2-CG 3.82Å; E259-P263 WeakPolarHBondContact O-CD 3.41Å; S260-P263 WeakPolarHBondContact O-CD 3.26Å; P263-F266 PolarHBondContact O-N 3.17Å; P263-G267 PolarHBondContact O-N 3.3Å |
| 264 | V | 91.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.7 | -40.4 | 179.9 | 172.1 | 0 | 0 | 0 | 0 | 111.8 | M247 S260 I261 I262 F266 G267 Y268 E282 L283 L286 | M247-V264 HydrophobicContact SD-CB 4.36Å; M247-V264 HydrophobicContact SD-CG1 4.47Å; M247-V264 HydrophobicContact SD-CG2 3.83Å; S260-V264 VanDerWaalsContact O-CG2 3.31Å; S260-V264 WeakPolarHBondContact O-CG2 3.4Å; S260-V264 PolarHBondContact O-N 2.91Å; S260-V264 VanDerWaalsContact O-N 3.14Å; I261-V264 PolarHBondContact O-N 2.8Å; I262-V264 VanDerWaalsContact C-N 3.27Å; I262-V264 PolarHBondContact O-N 2.97Å; V264-F266 VanDerWaalsContact C-N 3.3Å; V264-F266 PolarHBondContact O-N 3.44Å; V264-G267 PolarHBondContact O-N 3.23Å; V264-G267 VanDerWaalsContact O-N 3.17Å; V264-Y268 PolarHBondContact O-N 2.88Å; V264-E282 HydrophobicContact CG1-CB 4.33Å; V264-E282 HydrophobicContact CG2-CG 4.48Å; V264-L283 HydrophobicContact CG1-CB 3.86Å; V264-L283 HydrophobicContact CG1-CD1 4.37Å; V264-L286 HydrophobicContact CB-CD1 4.2Å; V264-L286 HydrophobicContact CG1-CD1 4.37Å; V264-L286 HydrophobicContact CG2-CD1 3.82Å |
| 265 | L | 91.4 | Very high | 87.8 | Confident | 5 Ų | 5 | 35 Ų | 35 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.4 | -35.8 | 171.4 | -77 | 170.4 | 0 | 0 | 0 | 112.3 | I261 I262 G269 L283 W292 L301 L332 Y335 | I261-L265 HydrophobicContact CD1-CD1 4.45Å; I261-L265 HydrophobicContact CD1-CG 4.25Å; I261-L265 HydrophobicContact CG1-CD1 4.03Å; I261-L265 HydrophobicContact CG1-CG 4.3Å; I261-L265 WeakPolarHBondContact O-CB 3.48Å; I261-L265 VanDerWaalsContact O-CG 3.26Å; I261-L265 WeakPolarHBondContact O-CG 3.5Å; I261-L265 PolarHBondContact O-N 2.55Å; I262-L265 PolarHBondContact O-N 3.09Å; L265-G269 PolarHBondContact O-N 3Å; L265-L283 HydrophobicContact CD2-CD1 3.74Å; L265-L283 HydrophobicContact CD2-CD2 3.99Å; L265-L283 HydrophobicContact CG-CD1 4.21Å; L265-W292 HydrophobicContact CD1-CH2 4.43Å; L265-L301 HydrophobicContact CD1-CD1 4.07Å; L265-L332 HydrophobicContact CB-CD1 4.42Å; L265-Y335 HydrophobicContact CD2-CD1 4.47Å; L265-Y335 HydrophobicContact CD2-CD2 3.61Å; L265-Y335 HydrophobicContact CD2-CE1 4.34Å; L265-Y335 HydrophobicContact CD2-CE2 3.47Å; L265-Y335 VanDerWaalsContact CD2-CE2 3.47Å; L265-Y335 HydrophobicContact CD2-CG 4.14Å |
| 266 | F | 91.6 | Very high | 88.4 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 1% | 0.013 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -71.3 | -35 | 172.8 | -62.7 | -27.3 | 0 | 0 | 0 | 112.9 | M194 L195 I262 P263 V264 G269 D270 W304 L324 M328 L332 | M194-F266 HydrophobicContact CB-CB 3.93Å; L195-F266 HydrophobicContact CD1-CD2 4.12Å; L195-F266 HydrophobicContact CD1-CE2 3.88Å; L195-F266 HydrophobicContact CD1-CZ 4.09Å; L195-F266 HydrophobicContact CD2-CB 4.37Å; L195-F266 HydrophobicContact CD2-CD1 3.88Å; L195-F266 HydrophobicContact CD2-CD2 4.32Å; L195-F266 HydrophobicContact CD2-CE1 4.2Å; L195-F266 HydrophobicContact CD2-CG 3.94Å; L195-F266 HydrophobicContact CG-CD1 4.43Å; L195-F266 HydrophobicContact CG-CD2 3.97Å; L195-F266 HydrophobicContact CG-CE2 4.25Å; L195-F266 HydrophobicContact CG-CG 4.07Å; I262-F266 HydrophobicContact CG2-CD2 4.13Å; I262-F266 HydrophobicContact CG2-CE2 3.52Å; I262-F266 HydrophobicContact CG2-CZ 3.84Å; I262-F266 WeakPolarHBondContact O-CG 3.47Å; I262-F266 PolarHBondContact O-N 3.08Å; P263-F266 PolarHBondContact O-N 3.17Å; V264-F266 VanDerWaalsContact C-N 3.3Å; V264-F266 PolarHBondContact O-N 3.44Å; F266-G269 CarbonylContact O-C 3.52Å; F266-G269 WeakPolarHBondContact O-CA 3.42Å; F266-G269 PolarHBondContact O-N 3.4Å; F266-D270 PolarHBondContact O-N 3.32Å; F266-W304 AromaticContact CE2-CD2 3.95Å; F266-W304 HydrophobicContact CE2-CD2 3.95Å; F266-W304 AromaticContact CE2-CE2 3.78Å; F266-W304 HydrophobicContact CE2-CE3 4.25Å; F266-W304 HydrophobicContact CE2-CG 4.4Å; F266-W304 HydrophobicContact CE2-CH2 4.15Å; F266-W304 AromaticContact CE2-CZ2 3.87Å; F266-W304 HydrophobicContact CE2-CZ2 3.87Å; F266-W304 HydrophobicContact CE2-CZ3 4.36Å; F266-W304 HydrophobicContact CZ-CB 4.13Å; F266-W304 AromaticContact CZ-CD2 3.63Å; F266-W304 HydrophobicContact CZ-CD2 3.63Å; F266-W304 AromaticContact CZ-CE2 3.93Å; F266-W304 AromaticContact CZ-CE3 3.94Å; F266-W304 HydrophobicContact CZ-CE3 3.94Å; F266-W304 AromaticContact CZ-CG 3.76Å; F266-W304 HydrophobicContact CZ-CG 3.76Å; F266-W304 HydrophobicContact CZ-CZ2 4.41Å; F266-W304 HydrophobicContact CZ-CZ3 4.45Å; F266-L324 HydrophobicContact CE1-CD1 3.82Å; F266-L324 HydrophobicContact CZ-CD1 4.33Å; F266-M328 HydrophobicContact CD1-CE 3.68Å; F266-M328 HydrophobicContact CE1-CE 4.43Å; F266-L332 HydrophobicContact CD1-CD1 4.43Å; F266-L332 HydrophobicContact CE1-CD1 4.37Å; F266-L332 HydrophobicContact CE1-CD2 3.88Å |
| 267 | G | 89.8 | Confident | 89 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.6 | -43.6 | 171 | 0 | 0 | 0 | 0 | 0 | 113.5 | M194 P263 V264 G269 D270 | M194-G267 VanDerWaalsContact CE-CA 3.43Å; P263-G267 PolarHBondContact O-N 3.3Å; V264-G267 PolarHBondContact O-N 3.23Å; V264-G267 VanDerWaalsContact O-N 3.17Å; G267-G269 PolarHBondContact O-N 3.26Å; G267-D270 WeakPolarHBondContact O-CB 3.06Å; G267-D270 PolarHBondContact O-N 3.11Å; G267-D270 VanDerWaalsContact O-N 3.12Å |
| 268 | Y | 92 | Very high | 89.3 | Confident | 88 Ų | 88 | 37.2 Ų | 37.2 | 35% | 0.345 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.5 | -20.5 | 169.9 | -174.2 | -110.4 | 0 | 0 | 0 | 111.7 | V264 V276 A280 L283 K331 | V264-Y268 PolarHBondContact O-N 2.88Å; Y268-V276 HydrophobicContact CD2-CG1 4.3Å; Y268-A280 HydrophobicContact CD2-CB 3.86Å; Y268-A280 HydrophobicContact CE2-CB 3.96Å; Y268-L283 HydrophobicContact CD1-CD2 3.62Å; Y268-L283 HydrophobicContact CD2-CD2 4.04Å; Y268-L283 HydrophobicContact CE1-CD2 4.21Å; Y268-L283 HydrophobicContact CG-CD2 3.51Å; Y268-K331 PolarHBondContact O-NZ 2.95Å |
| 269 | G | 86.6 | Confident | 89.8 | Confident | 13 Ų | 13 | 32.7 Ų | 32.7 | 13% | 0.134 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.9 | -34.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | L265 F266 G267 M328 K331 | L265-G269 PolarHBondContact O-N 3Å; F266-G269 CarbonylContact O-C 3.52Å; F266-G269 WeakPolarHBondContact O-CA 3.42Å; F266-G269 PolarHBondContact O-N 3.4Å; G267-G269 PolarHBondContact O-N 3.26Å; G269-M328 WeakPolarHBondContact CA-SD 3.43Å; G269-K331 VanDerWaalsContact C-NZ 3.28Å; G269-K331 VanDerWaalsContact CA-NZ 3.33Å; G269-K331 PolarHBondContact O-NZ 3.33Å |
| 270 | D | 91.1 | Very high | 90.2 | Very high | 23 Ų | 23 | 31.7 Ų | 31.7 | 12% | 0.123 | 17% | 0.172 | C | C | . | . | trans | -64.1 | 169.5 | -160.6 | -163 | -91.7 | 0 | 0 | 0 | 115.1 | Y198 K243 F266 G267 R272 V275 V276 | Y198-D270 VanDerWaalsContact CE2-OD1 3.22Å; Y198-D270 WeakPolarHBondContact CE2-OD1 3.49Å; Y198-D270 WeakPolarHBondContact CE2-OD2 3.41Å; Y198-D270 VanDerWaalsContact OH-CG 3.24Å; Y198-D270 PolarHBondContact OH-OD1 3.44Å; Y198-D270 PolarHBondContact OH-OD2 3.33Å; K243-D270 IonicContact NZ-OD2 3.78Å; K243-D270 PolarHBondContact NZ-OD2 3.4Å; F266-D270 PolarHBondContact O-N 3.32Å; G267-D270 WeakPolarHBondContact O-CB 3.06Å; G267-D270 PolarHBondContact O-N 3.11Å; G267-D270 VanDerWaalsContact O-N 3.12Å; D270-R272 PolarHBondContact OD1-N 3.31Å; D270-V275 HydrophobicContact CB-CB 4.16Å; D270-V275 HydrophobicContact CB-CG1 3.92Å; D270-V276 HydrophobicContact CB-CG2 4.08Å; D270-V276 VanDerWaalsContact O-CG2 3.24Å; D270-V276 WeakPolarHBondContact O-CG2 3.19Å | ||
| 271 | S | 87.4 | Confident | 90.4 | Very high | 97 Ų | 97 | 38.3 Ų | 38.3 | 68% | 0.678 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -98 | -11.9 | -179.5 | 57.5 | 0 | 0 | 0 | 0 | 114.2 | Y198 | Y198-S271 WeakPolarHBondContact CD2-OG 3.32Å; Y198-S271 WeakPolarHBondContact CE2-OG 3.36Å |
| 272 | R | 90.1 | Very high | 90.3 | Very high | 93 Ų | 93 | 38.9 Ų | 38.9 | 35% | 0.351 | 20% | 0.203 | S | C | . | . | trans | -98.2 | 124.3 | 175.9 | -60.3 | -66.1 | -174.2 | 134.8 | -5.9 | 110.3 | Y198 S236 E240 D270 S274 V275 V276 | Y198-R272 HydrophobicContact CD1-CG 4.48Å; Y198-R272 HydrophobicContact CD2-CG 4.28Å; Y198-R272 HydrophobicContact CE1-CG 3.8Å; Y198-R272 HydrophobicContact CE2-CG 3.58Å; Y198-R272 VanDerWaalsContact OH-CG 3.24Å; Y198-R272 WeakPolarHBondContact OH-CG 3.27Å; S236-R272 PolarHBondContact OG-NH2 2.99Å; S236-R272 VanDerWaalsContact OG-NH2 3.15Å; E240-R272 HydrophobicContact CG-CB 4.19Å; E240-R272 HydrophobicContact CG-CG 4.05Å; E240-R272 WeakPolarHBondContact OE2-CD 3.32Å; E240-R272 WeakPolarHBondContact OE2-CG 3.43Å; E240-R272 IonicContact OE2-CZ 3.03Å; E240-R272 IonicContact OE2-NE 3.39Å; E240-R272 PolarHBondContact OE2-NE 2.87Å; E240-R272 IonicContact OE2-NH1 2.7Å; E240-R272 PolarHBondContact OE2-NH1 3.37Å; D270-R272 PolarHBondContact OD1-N 3.31Å; R272-S274 WeakPolarHBondContact CB-OG 3.36Å; R272-S274 PolarHBondContact O-N 3.23Å; R272-V275 HydrophobicContact CB-CG2 4.36Å; R272-V275 PolarHBondContact O-N 2.62Å; R272-V275 VanDerWaalsContact O-N 3.1Å; R272-V276 WeakPolarHBondContact O-CG2 3.39Å; R272-V276 PolarHBondContact O-N 3.34Å | ||
| 273 | H | 89.8 | Confident | 90.3 | Very high | 152 Ų | 152 | 38.8 Ų | 38.8 | 70% | 0.704 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -60.4 | -29.1 | 179.6 | -176.5 | -91.8 | 0 | 0 | 0 | 113.2 | V275 V276 S277 | H273-V275 PolarHBondContact O-N 3.49Å; H273-V276 PolarHBondContact O-N 2.97Å; H273-S277 WeakPolarHBondContact O-CB 3.46Å; H273-S277 PolarHBondContact O-N 3.39Å; H273-S277 PolarHBondContact O-OG 2.9Å |
| 274 | S | 89.4 | Confident | 90.2 | Very high | 35 Ų | 35 | 46.4 Ų | 46.4 | 25% | 0.245 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -54.7 | -47.9 | 172 | 46.6 | 0 | 0 | 0 | 0 | 112.3 | E240 R272 S277 I278 | E240-S274 WeakPolarHBondContact CG-OG 3.47Å; E240-S274 WeakPolarHBondContact OE1-CB 3.46Å; E240-S274 PolarHBondContact OE1-OG 3.16Å; R272-S274 WeakPolarHBondContact CB-OG 3.36Å; R272-S274 PolarHBondContact O-N 3.23Å; S274-S277 PolarHBondContact O-OG 3.09Å; S274-I278 WeakPolarHBondContact O-CG1 3.39Å |
| 275 | V | 92.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -72.7 | -47.5 | 176.7 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | M194 K243 V244 D270 R272 H273 S277 I278 A279 | M194-V275 HydrophobicContact CE-CG1 3.53Å; K243-V275 HydrophobicContact CB-CG1 4.24Å; K243-V275 HydrophobicContact CB-CG2 3.61Å; K243-V275 HydrophobicContact CD-CG2 4.4Å; V244-V275 HydrophobicContact CG2-CG2 4.02Å; D270-V275 HydrophobicContact CB-CB 4.16Å; D270-V275 HydrophobicContact CB-CG1 3.92Å; R272-V275 HydrophobicContact CB-CG2 4.36Å; R272-V275 PolarHBondContact O-N 2.62Å; R272-V275 VanDerWaalsContact O-N 3.1Å; H273-V275 PolarHBondContact O-N 3.49Å; V275-S277 VanDerWaalsContact C-N 3.33Å; V275-S277 PolarHBondContact O-N 3.5Å; V275-I278 PolarHBondContact O-N 3.29Å; V275-A279 WeakPolarHBondContact O-CB 3.5Å; V275-A279 PolarHBondContact O-N 2.71Å |
| 276 | V | 92 | Very high | 89.6 | Confident | 30 Ų | 30 | 48.9 Ų | 48.9 | 18% | 0.182 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.8 | -35.3 | -176 | 176.4 | 0 | 0 | 0 | 0 | 112.2 | Y268 D270 R272 H273 A280 | Y268-V276 HydrophobicContact CD2-CG1 4.3Å; D270-V276 HydrophobicContact CB-CG2 4.08Å; D270-V276 VanDerWaalsContact O-CG2 3.24Å; D270-V276 WeakPolarHBondContact O-CG2 3.19Å; R272-V276 WeakPolarHBondContact O-CG2 3.39Å; R272-V276 PolarHBondContact O-N 3.34Å; H273-V276 PolarHBondContact O-N 2.97Å; V276-A280 WeakPolarHBondContact O-CB 3.19Å; V276-A280 PolarHBondContact O-N 3.2Å |
| 277 | S | 91.7 | Very high | 89.3 | Confident | 51 Ų | 51 | 49.4 Ų | 49.4 | 36% | 0.357 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -68 | -42.1 | -178.6 | 59.1 | 0 | 0 | 0 | 0 | 113.1 | H273 S274 V275 K281 | H273-S277 WeakPolarHBondContact O-CB 3.46Å; H273-S277 PolarHBondContact O-N 3.39Å; H273-S277 PolarHBondContact O-OG 2.9Å; S274-S277 PolarHBondContact O-OG 3.09Å; V275-S277 VanDerWaalsContact C-N 3.33Å; V275-S277 PolarHBondContact O-N 3.5Å; S277-K281 PolarHBondContact O-N 3.44Å |
| 278 | I | 89.1 | Confident | 89 | Confident | 43 Ų | 43 | 52.6 Ų | 52.6 | 22% | 0.221 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.7 | -46.2 | 175.3 | -52 | 170.5 | 0 | 0 | 0 | 109.4 | V244 M247 T251 S274 V275 A280 K281 E282 | V244-I278 HydrophobicContact CB-CD1 4.48Å; V244-I278 HydrophobicContact CG1-CD1 3.81Å; V244-I278 HydrophobicContact CG2-CD1 4.42Å; M247-I278 HydrophobicContact CB-CB 4.37Å; M247-I278 HydrophobicContact CB-CG2 4.11Å; M247-I278 HydrophobicContact CG-CB 3.81Å; M247-I278 HydrophobicContact CG-CG2 3.6Å; T251-I278 HydrophobicContact CG2-CG2 3.93Å; S274-I278 WeakPolarHBondContact O-CG1 3.39Å; V275-I278 PolarHBondContact O-N 3.29Å; I278-A280 VanDerWaalsContact C-N 3.32Å; I278-A280 PolarHBondContact O-N 2.64Å; I278-K281 WeakPolarHBondContact O-CB 3.28Å; I278-K281 PolarHBondContact O-N 2.82Å; I278-E282 PolarHBondContact O-N 3.46Å; I278-E282 VanDerWaalsContact O-N 3.11Å |
| 279 | A | 91 | Very high | 88.6 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.1 | -37.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | M247 V275 K281 E282 L283 | M247-A279 HydrophobicContact CE-CB 4.09Å; M247-A279 HydrophobicContact CG-CB 4.05Å; M247-A279 HydrophobicContact SD-CB 3.62Å; V275-A279 WeakPolarHBondContact O-CB 3.5Å; V275-A279 PolarHBondContact O-N 2.71Å; A279-K281 VanDerWaalsContact C-N 3.29Å; A279-K281 PolarHBondContact O-N 3.03Å; A279-E282 PolarHBondContact O-N 3.04Å; A279-L283 WeakPolarHBondContact O-CB 3.37Å; A279-L283 PolarHBondContact O-N 3.08Å |
| 280 | A | 90.9 | Very high | 88.5 | Confident | 19 Ų | 19 | 53.1 Ų | 53.1 | 16% | 0.157 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.5 | -22.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y268 V276 I278 R284 | Y268-A280 HydrophobicContact CD2-CB 3.86Å; Y268-A280 HydrophobicContact CE2-CB 3.96Å; V276-A280 WeakPolarHBondContact O-CB 3.19Å; V276-A280 PolarHBondContact O-N 3.2Å; I278-A280 VanDerWaalsContact C-N 3.32Å; I278-A280 PolarHBondContact O-N 2.64Å; A280-R284 WeakPolarHBondContact O-CG 3.29Å; A280-R284 VanDerWaalsContact O-CZ 3.3Å; A280-R284 PolarHBondContact O-NE 3.27Å; A280-R284 VanDerWaalsContact O-NE 3.15Å; A280-R284 PolarHBondContact O-NH2 3.45Å |
| 281 | K | 90.2 | Very high | 88.1 | Confident | 141 Ų | 141 | 56.8 Ų | 56.8 | 61% | 0.613 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -71.9 | -54.4 | 169.6 | -170.5 | -175.8 | 177.7 | -173.6 | 0 | 109.8 | S277 I278 A279 L283 R284 | S277-K281 PolarHBondContact O-N 3.44Å; I278-K281 WeakPolarHBondContact O-CB 3.28Å; I278-K281 PolarHBondContact O-N 2.82Å; A279-K281 VanDerWaalsContact C-N 3.29Å; A279-K281 PolarHBondContact O-N 3.03Å; K281-L283 VanDerWaalsContact C-N 3.35Å; K281-L283 PolarHBondContact O-N 3.45Å; K281-R284 PolarHBondContact O-N 3.12Å |
| 282 | E | 88.2 | Confident | 88 | Confident | 14 Ų | 14 | 53.4 Ų | 53.4 | 7% | 0.065 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72.6 | -25.4 | -176.4 | -159.2 | 56.2 | -123.8 | 0 | 0 | 113.5 | T251 R253 V264 I278 A279 R284 T285 L286 | T251-E282 WeakPolarHBondContact CA-OE2 3.49Å; T251-E282 HydrophobicContact CG2-CB 3.98Å; T251-E282 HydrophobicContact CG2-CG 4.14Å; T251-E282 WeakPolarHBondContact CG2-OE2 3.46Å; R253-E282 IonicContact NE-OE1 2.67Å; R253-E282 IonicContact NH2-OE1 3.81Å; R253-E282 PolarHBondContact NH2-OE1 3.35Å; V264-E282 HydrophobicContact CG1-CB 4.33Å; V264-E282 HydrophobicContact CG2-CG 4.48Å; I278-E282 PolarHBondContact O-N 3.46Å; I278-E282 VanDerWaalsContact O-N 3.11Å; A279-E282 PolarHBondContact O-N 3.04Å; E282-R284 PolarHBondContact O-N 3.04Å; E282-T285 WeakPolarHBondContact CA-OG1 3.39Å; E282-T285 VanDerWaalsContact CD-OG1 3.26Å; E282-T285 PolarHBondContact O-N 2.82Å; E282-T285 PolarHBondContact O-OG1 2.7Å; E282-T285 PolarHBondContact OE1-OG1 3.11Å; E282-L286 HydrophobicContact CG-CD1 3.89Å; E282-L286 HydrophobicContact CG-CG 4Å; E282-L286 WeakPolarHBondContact O-CB 3.37Å; E282-L286 WeakPolarHBondContact O-CG 3.16Å; E282-L286 PolarHBondContact O-N 2.98Å |
| 283 | L | 89.5 | Confident | 87.7 | Confident | 7 Ų | 7 | 52.2 Ų | 52.2 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.5 | -26.2 | 174.4 | -173.7 | 54.8 | 0 | 0 | 0 | 112.1 | I261 V264 L265 Y268 A279 K281 S287 Y335 | I261-L283 HydrophobicContact CD1-CD1 3.54Å; V264-L283 HydrophobicContact CG1-CB 3.86Å; V264-L283 HydrophobicContact CG1-CD1 4.37Å; L265-L283 HydrophobicContact CD2-CD1 3.74Å; L265-L283 HydrophobicContact CD2-CD2 3.99Å; L265-L283 HydrophobicContact CG-CD1 4.21Å; Y268-L283 HydrophobicContact CD1-CD2 3.62Å; Y268-L283 HydrophobicContact CD2-CD2 4.04Å; Y268-L283 HydrophobicContact CE1-CD2 4.21Å; Y268-L283 HydrophobicContact CG-CD2 3.51Å; A279-L283 WeakPolarHBondContact O-CB 3.37Å; A279-L283 PolarHBondContact O-N 3.08Å; K281-L283 VanDerWaalsContact C-N 3.35Å; K281-L283 PolarHBondContact O-N 3.45Å; L283-S287 WeakPolarHBondContact O-CB 3.47Å; L283-S287 PolarHBondContact O-N 3.01Å; L283-S287 PolarHBondContact O-OG 3.43Å; L283-Y335 HydrophobicContact CD1-CE1 4.5Å; L283-Y335 WeakPolarHBondContact CD2-OH 3.27Å |
| 284 | R | 88.2 | Confident | 87.5 | Confident | 160 Ų | 160 | 46.9 Ų | 46.9 | 60% | 0.604 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -71 | -39.8 | 174.4 | -71.2 | -179.7 | -130.3 | 125.6 | 1.9 | 112 | A280 K281 E282 | A280-R284 WeakPolarHBondContact O-CG 3.29Å; A280-R284 VanDerWaalsContact O-CZ 3.3Å; A280-R284 PolarHBondContact O-NE 3.27Å; A280-R284 VanDerWaalsContact O-NE 3.15Å; A280-R284 PolarHBondContact O-NH2 3.45Å; K281-R284 PolarHBondContact O-N 3.12Å; E282-R284 PolarHBondContact O-N 3.04Å |
| 285 | T | 85.5 | Confident | 87.2 | Confident | 54 Ų | 54 | 49 Ų | 49 | 33% | 0.331 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -71.3 | -53.7 | 174.2 | 34.7 | 0 | 0 | 0 | 0 | 111.3 | E282 S287 V288 L289 | E282-T285 WeakPolarHBondContact CA-OG1 3.39Å; E282-T285 VanDerWaalsContact CD-OG1 3.26Å; E282-T285 PolarHBondContact O-N 2.82Å; E282-T285 PolarHBondContact O-OG1 2.7Å; E282-T285 PolarHBondContact OE1-OG1 3.11Å; T285-S287 PolarHBondContact O-N 2.74Å; T285-V288 PolarHBondContact O-N 2.93Å; T285-L289 WeakPolarHBondContact O-CG 3.2Å; T285-L289 PolarHBondContact O-N 3.3Å |
| 286 | L | 86 | Confident | 86.8 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.7 | -37.2 | -177.2 | -66.9 | 179.2 | 0 | 0 | 0 | 113.2 | A257 I261 V264 E282 V288 L289 V290 | A257-L286 HydrophobicContact CB-CD2 3.93Å; I261-L286 HydrophobicContact CD1-CB 3.95Å; V264-L286 HydrophobicContact CB-CD1 4.2Å; V264-L286 HydrophobicContact CG1-CD1 4.37Å; V264-L286 HydrophobicContact CG2-CD1 3.82Å; E282-L286 HydrophobicContact CG-CD1 3.89Å; E282-L286 HydrophobicContact CG-CG 4Å; E282-L286 WeakPolarHBondContact O-CB 3.37Å; E282-L286 WeakPolarHBondContact O-CG 3.16Å; E282-L286 PolarHBondContact O-N 2.98Å; L286-V288 PolarHBondContact O-N 3.2Å; L286-V288 VanDerWaalsContact O-N 3.08Å; L286-L289 PolarHBondContact O-N 3.44Å; L286-L289 VanDerWaalsContact O-N 3.11Å; L286-V290 WeakPolarHBondContact O-CB 3.39Å; L286-V290 WeakPolarHBondContact O-CG2 3.36Å; L286-V290 PolarHBondContact O-N 3.33Å |
| 287 | S | 84.4 | Confident | 86.5 | Confident | 13 Ų | 13 | 50.4 Ų | 50.4 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.3 | -5.4 | -178.8 | 68.5 | 0 | 0 | 0 | 0 | 115.3 | L283 T285 W292 | L283-S287 WeakPolarHBondContact O-CB 3.47Å; L283-S287 PolarHBondContact O-N 3.01Å; L283-S287 PolarHBondContact O-OG 3.43Å; T285-S287 PolarHBondContact O-N 2.74Å; S287-W292 PolarHBondContact O-NE1 2.84Å; S287-W292 VanDerWaalsContact O-NE1 3.08Å |
| 288 | V | 83.4 | Confident | 86.3 | Confident | 67 Ų | 67 | 48 Ų | 48 | 41% | 0.406 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -99.9 | -31 | 170.7 | 175.8 | 0 | 0 | 0 | 0 | 112 | T285 L286 N2116 | T285-V288 PolarHBondContact O-N 2.93Å; L286-V288 PolarHBondContact O-N 3.2Å; L286-V288 VanDerWaalsContact O-N 3.08Å; V288-N2116 HydrophobicContact CG1-CB 4.13Å |
| 289 | L | 83.2 | Confident | 86.1 | Confident | 105 Ų | 105 | 48.4 Ų | 48.4 | 55% | 0.55 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -86.2 | -23.4 | -179.8 | -66.2 | 170.4 | 0 | 0 | 0 | 113.9 | A257 T285 L286 | A257-L289 HydrophobicContact CB-CB 4.26Å; T285-L289 WeakPolarHBondContact O-CG 3.2Å; T285-L289 PolarHBondContact O-N 3.3Å; L286-L289 PolarHBondContact O-N 3.44Å; L286-L289 VanDerWaalsContact O-N 3.11Å |
| 290 | V | 84.9 | Confident | 85.9 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -81.1 | 125.4 | 179.3 | 168 | 0 | 0 | 0 | 0 | 110.3 | A257 I261 L286 W292 L297 | A257-V290 HydrophobicContact CB-CG2 3.77Å; I261-V290 HydrophobicContact CB-CG2 3.89Å; I261-V290 HydrophobicContact CD1-CG2 4.41Å; I261-V290 HydrophobicContact CG1-CG2 4.1Å; I261-V290 HydrophobicContact CG2-CG2 4.18Å; L286-V290 WeakPolarHBondContact O-CB 3.39Å; L286-V290 WeakPolarHBondContact O-CG2 3.36Å; L286-V290 PolarHBondContact O-N 3.33Å; V290-W292 HydrophobicContact CB-CZ2 4.47Å; V290-W292 HydrophobicContact CG1-CD2 4.24Å; V290-W292 HydrophobicContact CG1-CE3 4.47Å; V290-W292 HydrophobicContact CG1-CH2 4.49Å; V290-W292 HydrophobicContact CG1-CZ2 4.26Å; V290-W292 PolarHBondContact O-N 3.45Å; V290-L297 HydrophobicContact CG1-CD2 3.36Å |
| 291 | D | 82.7 | Confident | 85.7 | Confident | 100 Ų | 100 | 50.7 Ų | 50.7 | 54% | 0.535 | 25% | 0.25 | S | C | . | . | trans | -68.2 | 118.8 | 163.4 | -172.4 | 4.1 | 0 | 0 | 0 | 109.7 | E293 | D291-E293 VanDerWaalsContact C-N 3.31Å; D291-E293 WeakPolarHBondContact OD1-CB 3.44Å; D291-E293 PolarHBondContact OD1-N 3.09Å | ||
| 292 | W | 85.3 | Confident | 85.6 | Confident | 26 Ų | 26 | 44 Ų | 44 | 10% | 0.098 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -7.4 | 177.3 | -66 | 98.2 | 0 | 0 | 0 | 112.6 | I261 L265 S287 V290 L298 Y335 R338 S339 | I261-W292 HydrophobicContact CD1-CH2 4.02Å; I261-W292 HydrophobicContact CD1-CZ2 4.25Å; I261-W292 HydrophobicContact CG1-CH2 3.79Å; I261-W292 HydrophobicContact CG1-CZ2 4.36Å; L265-W292 HydrophobicContact CD1-CH2 4.43Å; S287-W292 PolarHBondContact O-NE1 2.84Å; S287-W292 VanDerWaalsContact O-NE1 3.08Å; V290-W292 HydrophobicContact CB-CZ2 4.47Å; V290-W292 HydrophobicContact CG1-CD2 4.24Å; V290-W292 HydrophobicContact CG1-CE3 4.47Å; V290-W292 HydrophobicContact CG1-CH2 4.49Å; V290-W292 HydrophobicContact CG1-CZ2 4.26Å; V290-W292 PolarHBondContact O-N 3.45Å; W292-L298 WeakPolarHBondContact O-CD1 3.39Å; W292-Y335 AromaticContact CH2-CD1 3.42Å; W292-Y335 HydrophobicContact CH2-CD1 3.42Å; W292-Y335 VanDerWaalsContact CH2-CD1 3.42Å; W292-Y335 HydrophobicContact CH2-CE1 4.26Å; W292-Y335 AromaticContact CH2-CG 3.94Å; W292-Y335 HydrophobicContact CH2-CG 3.94Å; W292-Y335 AromaticContact CZ2-CD1 3.59Å; W292-Y335 HydrophobicContact CZ2-CD1 3.59Å; W292-Y335 HydrophobicContact CZ2-CE1 4.18Å; W292-Y335 HydrophobicContact CZ3-CD1 4.01Å; W292-Y335 HydrophobicContact CZ3-CG 4.19Å; W292-R338 HydrophobicContact CB-CB 4.32Å; W292-R338 HydrophobicContact CG-CB 4.34Å; W292-S339 WeakPolarHBondContact O-CB 3.45Å |
| 293 | E | 85.1 | Confident | 85.5 | Confident | 68 Ų | 68 | 44.6 Ų | 44.6 | 32% | 0.318 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 6.1 | 175.1 | -56 | -66.7 | 175 | 0 | 0 | 113.4 | D291 E295 S339 R340 I341 | D291-E293 VanDerWaalsContact C-N 3.31Å; D291-E293 WeakPolarHBondContact OD1-CB 3.44Å; D291-E293 PolarHBondContact OD1-N 3.09Å; E293-E295 PolarHBondContact O-N 2.82Å; E293-E295 VanDerWaalsContact O-N 3.14Å; E293-S339 WeakPolarHBondContact OE1-CA 3.26Å; E293-R340 PolarHBondContact OE1-N 3.22Å; E293-R340 PolarHBondContact OE2-N 3.35Å; E293-I341 WeakPolarHBondContact O-CD1 3.12Å; E293-I341 WeakPolarHBondContact O-CG2 3.33Å; E293-I341 WeakPolarHBondContact OE2-CB 3.38Å; E293-I341 PolarHBondContact OE2-N 2.96Å |
| 294 | D | 84.3 | Confident | 85.4 | Confident | 40 Ų | 40 | 45 Ų | 45 | 21% | 0.214 | 23% | 0.229 | C | C | . | . | trans | -70.3 | 106.7 | 169.6 | 172.5 | 29.9 | 0 | 0 | 0 | 111.1 | S296 L297 L298 R300 | D294-S296 VanDerWaalsContact CG-OG 3.27Å; D294-S296 PolarHBondContact O-N 3.49Å; D294-S296 VanDerWaalsContact O-N 3.14Å; D294-S296 WeakPolarHBondContact OD1-CA 3.25Å; D294-S296 WeakPolarHBondContact OD1-CB 3.42Å; D294-S296 PolarHBondContact OD1-N 2.7Å; D294-S296 PolarHBondContact OD1-OG 2.95Å; D294-S296 VanDerWaalsContact OD1-OG 3.07Å; D294-S296 PolarHBondContact OD2-OG 3.43Å; D294-L297 HydrophobicContact CB-CB 4.03Å; D294-L297 PolarHBondContact O-N 2.85Å; D294-L297 WeakPolarHBondContact OD2-CB 3.24Å; D294-L297 PolarHBondContact OD2-N 3.09Å; D294-L298 WeakPolarHBondContact O-CD1 3.44Å; D294-L298 WeakPolarHBondContact O-CG 3.2Å; D294-L298 PolarHBondContact O-N 3.31Å; D294-R300 IonicContact OD2-NH2 2.73Å | ||
| 295 | E | 83.8 | Confident | 85.5 | Confident | 79 Ų | 79 | 37.3 Ų | 37.3 | 37% | 0.369 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -53.8 | -31.4 | 172.9 | 170.6 | 162.4 | -153.8 | 0 | 0 | 112.2 | E293 N299 I341 L347 | E293-E295 PolarHBondContact O-N 2.82Å; E293-E295 VanDerWaalsContact O-N 3.14Å; E295-N299 WeakPolarHBondContact CG-ND2 3.29Å; E295-N299 VanDerWaalsContact O-CB 3.26Å; E295-N299 WeakPolarHBondContact O-CB 3.46Å; E295-N299 PolarHBondContact O-N 3.43Å; E295-N299 PolarHBondContact O-ND2 2.8Å; E295-N299 PolarHBondContact OE1-ND2 2.81Å; E295-I341 HydrophobicContact CB-CD1 4.11Å; E295-L347 HydrophobicContact CB-CD1 4.35Å; E295-L347 HydrophobicContact CG-CD1 3.99Å; E295-L347 HydrophobicContact CG-CG 4.46Å |
| 296 | S | 83 | Confident | 85.6 | Confident | 56 Ų | 56 | 36 Ų | 36 | 39% | 0.392 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -69.3 | -45.3 | -179.6 | 99.5 | 0 | 0 | 0 | 0 | 111.5 | D294 R300 | D294-S296 VanDerWaalsContact CG-OG 3.27Å; D294-S296 PolarHBondContact O-N 3.49Å; D294-S296 VanDerWaalsContact O-N 3.14Å; D294-S296 WeakPolarHBondContact OD1-CA 3.25Å; D294-S296 WeakPolarHBondContact OD1-CB 3.42Å; D294-S296 PolarHBondContact OD1-N 2.7Å; D294-S296 PolarHBondContact OD1-OG 2.95Å; D294-S296 VanDerWaalsContact OD1-OG 3.07Å; D294-S296 PolarHBondContact OD2-OG 3.43Å; S296-R300 WeakPolarHBondContact O-CG 3.43Å; S296-R300 PolarHBondContact O-N 3.49Å; S296-R300 PolarHBondContact O-NH1 3.4Å; S296-R300 PolarHBondContact OG-NH1 2.98Å |
| 297 | L | 86.3 | Confident | 85.4 | Confident | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.8 | -44.4 | 174.5 | 174.1 | 59.8 | 0 | 0 | 0 | 111.6 | I261 I262 V290 D294 N299 R300 L301 | I261-L297 HydrophobicContact CG2-CD1 3.76Å; I261-L297 HydrophobicContact CG2-CD2 4.18Å; I262-L297 HydrophobicContact CD1-CD1 3.98Å; I262-L297 HydrophobicContact CG1-CD1 4.14Å; V290-L297 HydrophobicContact CG1-CD2 3.36Å; D294-L297 HydrophobicContact CB-CB 4.03Å; D294-L297 PolarHBondContact O-N 2.85Å; D294-L297 WeakPolarHBondContact OD2-CB 3.24Å; D294-L297 PolarHBondContact OD2-N 3.09Å; L297-N299 VanDerWaalsContact C-N 3.34Å; L297-N299 PolarHBondContact O-N 3.39Å; L297-R300 WeakPolarHBondContact O-CB 3.48Å; L297-R300 PolarHBondContact O-N 2.8Å; L297-L301 WeakPolarHBondContact O-CB 3.47Å; L297-L301 PolarHBondContact O-N 2.65Å |
| 298 | L | 86.7 | Confident | 85.4 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63 | -40.4 | 177.2 | -69.8 | 162.9 | 0 | 0 | 0 | 111.7 | W292 D294 L301 L302 L336 I341 T342 L347 | W292-L298 WeakPolarHBondContact O-CD1 3.39Å; D294-L298 WeakPolarHBondContact O-CD1 3.44Å; D294-L298 WeakPolarHBondContact O-CG 3.2Å; D294-L298 PolarHBondContact O-N 3.31Å; L298-L301 PolarHBondContact O-N 3.36Å; L298-L302 WeakPolarHBondContact O-CB 3.49Å; L298-L302 PolarHBondContact O-N 3.26Å; L298-L336 HydrophobicContact CD2-CD2 3.99Å; L298-I341 HydrophobicContact CD1-CG2 3.13Å; L298-T342 HydrophobicContact CD1-CG2 4.11Å; L298-T342 HydrophobicContact CD2-CG2 4.15Å; L298-L347 HydrophobicContact CB-CD1 4.37Å; L298-L347 HydrophobicContact CD1-CD1 4.38Å |
| 299 | N | 86.2 | Confident | 84.7 | Confident | 51 Ų | 51 | 41.8 Ų | 41.8 | 27% | 0.273 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.3 | -41.5 | 172.1 | -89 | -66 | 0 | 0 | 0 | 112.1 | E295 L297 L301 A303 L347 | E295-N299 WeakPolarHBondContact CG-ND2 3.29Å; E295-N299 VanDerWaalsContact O-CB 3.26Å; E295-N299 WeakPolarHBondContact O-CB 3.46Å; E295-N299 PolarHBondContact O-N 3.43Å; E295-N299 PolarHBondContact O-ND2 2.8Å; E295-N299 PolarHBondContact OE1-ND2 2.81Å; L297-N299 VanDerWaalsContact C-N 3.34Å; L297-N299 PolarHBondContact O-N 3.39Å; N299-L301 VanDerWaalsContact C-N 3.35Å; N299-L301 PolarHBondContact O-N 3.44Å; N299-A303 VanDerWaalsContact O-CB 3.26Å; N299-A303 WeakPolarHBondContact O-CB 3.45Å; N299-A303 PolarHBondContact O-N 3.41Å; N299-L347 WeakPolarHBondContact OD1-CD2 3.48Å |
| 300 | R | 86.1 | Confident | 83.9 | Confident | 66 Ų | 66 | 38.4 Ų | 38.4 | 25% | 0.249 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.2 | -46.8 | 172 | -70.5 | -172.5 | -64.2 | -83.5 | 13.9 | 110.8 | E258 I262 D294 S296 L297 A303 W304 | E258-R300 PolarHBondContact O-NH2 2.92Å; I262-R300 HydrophobicContact CD1-CB 3.69Å; D294-R300 IonicContact OD2-NH2 2.73Å; S296-R300 WeakPolarHBondContact O-CG 3.43Å; S296-R300 PolarHBondContact O-N 3.49Å; S296-R300 PolarHBondContact O-NH1 3.4Å; S296-R300 PolarHBondContact OG-NH1 2.98Å; L297-R300 WeakPolarHBondContact O-CB 3.48Å; L297-R300 PolarHBondContact O-N 2.8Å; R300-A303 PolarHBondContact O-N 3.16Å; R300-W304 PolarHBondContact O-N 2.88Å; R300-W304 VanDerWaalsContact O-N 3.11Å |
| 301 | L | 87.8 | Confident | 83 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.6 | -39.7 | -177.5 | -163.4 | 65.7 | 0 | 0 | 0 | 112.6 | I262 L265 L297 L298 N299 W304 Y305 L332 L336 | I262-L301 HydrophobicContact CG1-CD1 4.37Å; L265-L301 HydrophobicContact CD1-CD1 4.07Å; L297-L301 WeakPolarHBondContact O-CB 3.47Å; L297-L301 PolarHBondContact O-N 2.65Å; L298-L301 PolarHBondContact O-N 3.36Å; N299-L301 VanDerWaalsContact C-N 3.35Å; N299-L301 PolarHBondContact O-N 3.44Å; L301-W304 PolarHBondContact O-N 3.01Å; L301-Y305 WeakPolarHBondContact O-CB 3.19Å; L301-Y305 PolarHBondContact O-N 3.05Å; L301-L332 HydrophobicContact CD1-CD2 3.52Å; L301-L332 HydrophobicContact CD1-CG 3.91Å; L301-L332 HydrophobicContact CG-CD2 4.23Å; L301-L336 HydrophobicContact CB-CD2 4.23Å; L301-L336 HydrophobicContact CD2-CD2 3.78Å; L301-L336 HydrophobicContact CD2-CG 4.02Å; L301-L336 HydrophobicContact CG-CD2 4.16Å |
| 302 | L | 87 | Confident | 82.3 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70.3 | -37.1 | 174.2 | -84.7 | 158.3 | 0 | 0 | 0 | 112.7 | L298 W304 Y305 L306 L336 L347 L351 A354 | L298-L302 WeakPolarHBondContact O-CB 3.49Å; L298-L302 PolarHBondContact O-N 3.26Å; L302-W304 VanDerWaalsContact C-N 3.28Å; L302-W304 PolarHBondContact O-N 2.92Å; L302-Y305 PolarHBondContact O-N 2.97Å; L302-L306 HydrophobicContact CD2-CD1 4.4Å; L302-L306 VanDerWaalsContact O-CB 3.32Å; L302-L306 WeakPolarHBondContact O-CB 3.41Å; L302-L306 WeakPolarHBondContact O-CG 3.39Å; L302-L306 PolarHBondContact O-N 3.09Å; L302-L336 HydrophobicContact CD1-CD2 4.2Å; L302-L336 HydrophobicContact CD2-CD1 3.83Å; L302-L336 HydrophobicContact CD2-CD2 4.41Å; L302-L336 HydrophobicContact CG-CD1 4.1Å; L302-L336 HydrophobicContact CG-CD2 3.81Å; L302-L347 HydrophobicContact CD1-CD2 3.71Å; L302-L351 HydrophobicContact CD2-CD2 4.42Å; L302-A354 HydrophobicContact CD2-CB 4.27Å |
| 303 | A | 86.3 | Confident | 81.5 | Confident | 26 Ų | 26 | 39.3 Ų | 39.3 | 22% | 0.215 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.7 | -41.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | N299 R300 G307 R308 | N299-A303 VanDerWaalsContact O-CB 3.26Å; N299-A303 WeakPolarHBondContact O-CB 3.45Å; N299-A303 PolarHBondContact O-N 3.41Å; R300-A303 PolarHBondContact O-N 3.16Å; A303-G307 CarbonylContact O-C 3.24Å; A303-G307 PolarHBondContact O-N 2.93Å; A303-R308 HydrophobicContact CB-CB 4.12Å; A303-R308 PolarHBondContact O-N 3.32Å |
| 304 | W | 87.3 | Confident | 80.2 | Confident | 15 Ų | 15 | 40.5 Ų | 40.5 | 6% | 0.057 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.7 | -50.3 | 171.1 | -82.3 | 116.1 | 0 | 0 | 0 | 113.5 | L192 L195 F266 R300 L301 L302 L306 G307 R321 L324 | L192-W304 HydrophobicContact CD2-CH2 4.15Å; L195-W304 HydrophobicContact CD1-CE3 3.99Å; L195-W304 HydrophobicContact CD1-CH2 3.85Å; L195-W304 HydrophobicContact CD1-CZ3 3.37Å; F266-W304 AromaticContact CE2-CD2 3.95Å; F266-W304 HydrophobicContact CE2-CD2 3.95Å; F266-W304 AromaticContact CE2-CE2 3.78Å; F266-W304 HydrophobicContact CE2-CE3 4.25Å; F266-W304 HydrophobicContact CE2-CG 4.4Å; F266-W304 HydrophobicContact CE2-CH2 4.15Å; F266-W304 AromaticContact CE2-CZ2 3.87Å; F266-W304 HydrophobicContact CE2-CZ2 3.87Å; F266-W304 HydrophobicContact CE2-CZ3 4.36Å; F266-W304 HydrophobicContact CZ-CB 4.13Å; F266-W304 AromaticContact CZ-CD2 3.63Å; F266-W304 HydrophobicContact CZ-CD2 3.63Å; F266-W304 AromaticContact CZ-CE2 3.93Å; F266-W304 AromaticContact CZ-CE3 3.94Å; F266-W304 HydrophobicContact CZ-CE3 3.94Å; F266-W304 AromaticContact CZ-CG 3.76Å; F266-W304 HydrophobicContact CZ-CG 3.76Å; F266-W304 HydrophobicContact CZ-CZ2 4.41Å; F266-W304 HydrophobicContact CZ-CZ3 4.45Å; R300-W304 PolarHBondContact O-N 2.88Å; R300-W304 VanDerWaalsContact O-N 3.11Å; L301-W304 PolarHBondContact O-N 3.01Å; L302-W304 VanDerWaalsContact C-N 3.28Å; L302-W304 PolarHBondContact O-N 2.92Å; W304-L306 VanDerWaalsContact C-N 3.3Å; W304-L306 PolarHBondContact O-N 3.4Å; W304-G307 PolarHBondContact O-N 3.4Å; W304-R321 VanDerWaalsContact CZ3-NH1 3.27Å; W304-L324 HydrophobicContact CB-CD1 4.23Å; W304-L324 WeakPolarHBondContact O-CG 3.49Å |
| 305 | Y | 89.9 | Confident | 79.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54.4 | -46.1 | -179.8 | -176.2 | -72.5 | 0 | 0 | 0 | 111.9 | L301 L302 L324 R329 L336 A354 L357 | L301-Y305 WeakPolarHBondContact O-CB 3.19Å; L301-Y305 PolarHBondContact O-N 3.05Å; L302-Y305 PolarHBondContact O-N 2.97Å; Y305-L324 PolarHBondContact O-N 3.07Å; Y305-R329 HydrophobicContact CD1-CG 4.2Å; Y305-R329 HydrophobicContact CD2-CB 4.1Å; Y305-R329 HydrophobicContact CD2-CG 3.89Å; Y305-R329 HydrophobicContact CE1-CB 4.48Å; Y305-R329 HydrophobicContact CE1-CG 4Å; Y305-R329 HydrophobicContact CE2-CB 3.52Å; Y305-R329 HydrophobicContact CE2-CG 3.7Å; Y305-R329 WeakPolarHBondContact CE2-O 3.41Å; Y305-R329 HydrophobicContact CG-CG 4.13Å; Y305-L336 HydrophobicContact CD2-CD1 4.18Å; Y305-A354 HydrophobicContact CD1-CB 3.8Å; Y305-A354 HydrophobicContact CE1-CB 3.41Å; Y305-A354 VanDerWaalsContact CE1-CB 3.41Å; Y305-A354 PolarHBondContact OH-O 3.47Å; Y305-A354 VanDerWaalsContact OH-O 3.09Å; Y305-L357 HydrophobicContact CE1-CD2 4.23Å |
| 306 | L | 87.3 | Confident | 77.9 | Confident | 27 Ų | 27 | 44.6 Ų | 44.6 | 14% | 0.141 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -87.8 | -10.7 | -174.9 | -66.7 | 169.6 | 0 | 0 | 0 | 114.3 | L302 W304 R308 E353 A354 L357 | L302-L306 HydrophobicContact CD2-CD1 4.4Å; L302-L306 VanDerWaalsContact O-CB 3.32Å; L302-L306 WeakPolarHBondContact O-CB 3.41Å; L302-L306 WeakPolarHBondContact O-CG 3.39Å; L302-L306 PolarHBondContact O-N 3.09Å; W304-L306 VanDerWaalsContact C-N 3.3Å; W304-L306 PolarHBondContact O-N 3.4Å; L306-R308 HydrophobicContact CB-CG 3.92Å; L306-E353 HydrophobicContact CD1-CB 4.19Å; L306-E353 HydrophobicContact CD2-CB 3.9Å; L306-A354 HydrophobicContact CD2-CB 4.11Å; L306-L357 HydrophobicContact CD2-CD2 4.4Å |
| 307 | G | 83.2 | Confident | 77.1 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 23.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | A303 W304 R321 | A303-G307 CarbonylContact O-C 3.24Å; A303-G307 PolarHBondContact O-N 2.93Å; W304-G307 PolarHBondContact O-N 3.4Å; G307-R321 PolarHBondContact O-N 2.82Å |
| 308 | R | 83 | Confident | 76.3 | Confident | 73 Ų | 73 | 54.2 Ų | 54.2 | 28% | 0.275 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 161.6 | 180 | -56 | -159.6 | -78.8 | -142.6 | 10.4 | 111.7 | A303 L306 S350 E353 | A303-R308 HydrophobicContact CB-CB 4.12Å; A303-R308 PolarHBondContact O-N 3.32Å; L306-R308 HydrophobicContact CB-CG 3.92Å; R308-S350 PolarHBondContact NH1-OG 2.91Å; R308-S350 PolarHBondContact NH2-OG 3.15Å; R308-E353 IonicContact NH1-OE2 3.78Å; R308-E353 PolarHBondContact NH1-OE2 3.02Å |
| 309 | R | 69.2 | Low | 75.6 | Confident | 130 Ų | 130 | 60.8 Ų | 60.8 | 49% | 0.491 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 154.8 | -175.8 | -66.2 | 174.2 | 172.9 | -81.5 | -2.3 | 111.9 | D313 G316 N318 | R309-D313 IonicContact NH1-OD2 2.97Å; R309-G316 PolarHBondContact NH1-O 3.02Å; R309-N318 PolarHBondContact NH1-O 2.85Å; R309-N318 PolarHBondContact NH2-O 3.09Å |
| 310 | R | 67.3 | Low | 75.1 | Confident | 34 Ų | 34 | 60.8 Ų | 60.8 | 13% | 0.128 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -101.3 | 161.4 | 178.7 | -102.5 | -168.8 | -172.3 | 150.2 | -23 | 112.5 | D188 D221 | D188-R310 VanDerWaalsContact C-NH2 3.35Å; D188-R310 VanDerWaalsContact CA-NH2 3.32Å; D188-R310 PolarHBondContact O-NH2 3.21Å; D188-R310 IonicContact OD1-CZ 3.04Å; D188-R310 IonicContact OD1-NE 3.49Å; D188-R310 PolarHBondContact OD1-NE 3.26Å; D188-R310 IonicContact OD1-NH2 2.85Å; D188-R310 PolarHBondContact OD1-NH2 3.01Å; D188-R310 WeakPolarHBondContact OD2-CD 3.39Å; D188-R310 IonicContact OD2-CZ 2.76Å; D188-R310 IonicContact OD2-NE 2.76Å; D188-R310 PolarHBondContact OD2-NE 2.91Å; D188-R310 IonicContact OD2-NH2 3.62Å; D221-R310 IonicContact OD1-NH1 3.52Å; D221-R310 PolarHBondContact OD1-NH1 3.07Å |
| 311 | D | 65.5 | Low | 75 | Confident | 107 Ų | 107 | 58.6 Ų | 58.6 | 57% | 0.572 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -44.7 | 169 | -42.4 | -71.9 | 0 | 0 | 0 | 111.9 | R184 D313 | R184-D311 IonicContact CZ-OD2 3.6Å; R184-D311 IonicContact NE-OD2 3.75Å; R184-D311 PolarHBondContact NE-OD2 3.09Å; R184-D311 VanDerWaalsContact NH2-CG 3.3Å; R184-D311 IonicContact NH2-OD1 2.78Å; R184-D311 PolarHBondContact NH2-OD1 3.43Å; R184-D311 IonicContact NH2-OD2 3.59Å; R184-D311 PolarHBondContact NH2-OD2 3.39Å; D311-D313 PolarHBondContact O-N 3.29Å |
| 312 | F | 68.5 | Low | 74.8 | Confident | 20 Ų | 20 | 63 Ų | 63 | 9% | 0.088 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 35 | -178.5 | -53.1 | -64.7 | 0 | 0 | 0 | 114.6 | Y181 R184 Y185 D188 P314 | Y181-F312 HydrophobicContact CD2-CE1 4.49Å; Y181-F312 HydrophobicContact CE1-CE1 4.27Å; Y181-F312 AromaticContact CE2-CE1 3.84Å; Y181-F312 HydrophobicContact CE2-CE1 3.84Å; Y181-F312 AromaticContact CZ-CE1 3.67Å; R184-F312 HydrophobicContact CB-CE2 4.35Å; R184-F312 HydrophobicContact CB-CZ 4.08Å; R184-F312 HydrophobicContact CG-CE2 3.94Å; R184-F312 HydrophobicContact CG-CZ 4Å; Y185-F312 AromaticContact CD2-CD1 3.87Å; Y185-F312 HydrophobicContact CD2-CD1 3.87Å; Y185-F312 HydrophobicContact CD2-CD2 4.14Å; Y185-F312 HydrophobicContact CD2-CE1 4.02Å; Y185-F312 HydrophobicContact CD2-CE2 4.28Å; Y185-F312 AromaticContact CD2-CG 3.93Å; Y185-F312 HydrophobicContact CD2-CG 3.93Å; Y185-F312 HydrophobicContact CD2-CZ 4.22Å; D188-F312 HydrophobicContact CB-CD2 4.13Å; D188-F312 HydrophobicContact CB-CE2 4.24Å; D188-F312 VanDerWaalsContact OD2-CD2 3.3Å; D188-F312 WeakPolarHBondContact OD2-CD2 3.33Å; F312-P314 WeakPolarHBondContact O-CD 3.42Å |
| 313 | D | 68.3 | Low | 74.8 | Confident | 24 Ų | 24 | 64.6 Ų | 64.6 | 13% | 0.128 | 31% | 0.313 | C | S | . | . | trans | -102.9 | 85.7 | 159.9 | 177.4 | 8.3 | 0 | 0 | 0 | 108.7 | R309 D311 K315 G316 N318 | R309-D313 IonicContact NH1-OD2 2.97Å; D311-D313 PolarHBondContact O-N 3.29Å; D313-K315 PolarHBondContact O-N 3.18Å; D313-G316 PolarHBondContact O-N 3.4Å; D313-G316 PolarHBondContact OD1-N 3.07Å; D313-G316 VanDerWaalsContact OD2-CA 3.31Å; D313-G316 WeakPolarHBondContact OD2-CA 3.5Å; D313-N318 PolarHBondContact OD1-ND2 3.36Å; D313-N318 PolarHBondContact OD2-N 3.05Å | ||
| 314 | P | 57.3 | Low | 75 | Confident | 93 Ų | 93 | 63.5 Ų | 63.5 | 60% | 0.604 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | 6.7 | -164.5 | 28.7 | -37.6 | 0 | 0 | 0 | 115.3 | F312 | F312-P314 WeakPolarHBondContact O-CD 3.42Š|
| 315 | K | 60.8 | Low | 74.9 | Confident | 161 Ų | 161 | 64.2 Ų | 64.2 | 70% | 0.7 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.9 | -10.5 | 172.4 | -64.5 | -177.5 | -179.1 | 174.2 | 0 | 113.5 | D313 R317 | D313-K315 PolarHBondContact O-N 3.18Å; K315-R317 HydrophobicContact CB-CB 4.26Å; K315-R317 HydrophobicContact CB-CG 4.02Å; K315-R317 WeakPolarHBondContact O-CG 3.5Å; K315-R317 PolarHBondContact O-N 2.89Å; K315-R317 VanDerWaalsContact O-N 3.09Å |
| 316 | G | 59.4 | Low | 74.6 | Confident | 45 Ų | 45 | 65 Ų | 65 | 46% | 0.464 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 60.7 | 11 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115 | R309 D313 | R309-G316 PolarHBondContact NH1-O 3.02Å; D313-G316 PolarHBondContact O-N 3.4Å; D313-G316 PolarHBondContact OD1-N 3.07Å; D313-G316 VanDerWaalsContact OD2-CA 3.31Å; D313-G316 WeakPolarHBondContact OD2-CA 3.5Å |
| 317 | R | 65 | Low | 74.5 | Confident | 213 Ų | 213 | 66.7 Ų | 66.7 | 80% | 0.804 | 33% | 0.326 | S | S | * | . | trans | -91.6 | -7.6 | -170.1 | -72.1 | -177.8 | -168.3 | -165.7 | 0.9 | 114.1 | K315 | K315-R317 HydrophobicContact CB-CB 4.26Å; K315-R317 HydrophobicContact CB-CG 4.02Å; K315-R317 WeakPolarHBondContact O-CG 3.5Å; K315-R317 PolarHBondContact O-N 2.89Å; K315-R317 VanDerWaalsContact O-N 3.09Å | ||
| 318 | N | 70.5 | Confident | 74.8 | Confident | 48 Ų | 48 | 67.3 Ų | 67.3 | 26% | 0.257 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -79.5 | 175.2 | -180 | -67.9 | -66.1 | 0 | 0 | 0 | 111.1 | F220 R309 D313 | F220-N318 HydrophobicContact CB-CB 4.3Å; F220-N318 WeakPolarHBondContact CB-OD1 3.41Å; R309-N318 PolarHBondContact NH1-O 2.85Å; R309-N318 PolarHBondContact NH2-O 3.09Å; D313-N318 PolarHBondContact OD1-ND2 3.36Å; D313-N318 PolarHBondContact OD2-N 3.05Å |
| 319 | E | 71.6 | Confident | 75.2 | Confident | 140 Ų | 140 | 64.3 Ų | 64.3 | 65% | 0.654 | 32% | 0.316 | S | S | * | . | P | Polyproline II helix | trans | -79.9 | 150.2 | 171.4 | -164.2 | 58.9 | -159.6 | 0 | 0 | 110.4 | N218 | N218-E319 PolarHBondContact ND2-O 2.95Š|
| 320 | P | 76.8 | Confident | 76 | Confident | 50 Ų | 50 | 59.6 Ų | 59.6 | 33% | 0.325 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 166.1 | 160.9 | 25.2 | -37.7 | 0 | 0 | 0 | 112.4 | N218 | N218-P320 WeakPolarHBondContact CB-O 3.49Š|
| 321 | R | 82.2 | Confident | 77 | Confident | 21 Ų | 21 | 61.3 Ų | 61.3 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -76 | 152.4 | 174.8 | -69.4 | 177.7 | 174.5 | 117.3 | 44.7 | 110.5 | G216 F217 N218 D221 W304 G307 | G216-R321 VanDerWaalsContact O-CD 3.29Å; G216-R321 WeakPolarHBondContact O-CD 3.15Å; F217-R321 WeakPolarHBondContact O-CA 3.37Å; N218-R321 HydrophobicContact CB-CG 4.45Å; D221-R321 IonicContact OD1-NH2 3.08Å; D221-R321 PolarHBondContact OD1-NH2 2.74Å; D221-R321 IonicContact OD2-CZ 2.76Å; D221-R321 IonicContact OD2-NE 3.35Å; D221-R321 PolarHBondContact OD2-NE 3.35Å; D221-R321 IonicContact OD2-NH2 2.7Å; D221-R321 PolarHBondContact OD2-NH2 3.33Å; W304-R321 VanDerWaalsContact CZ3-NH1 3.27Å; G307-R321 PolarHBondContact O-N 2.82Å |
| 322 | R | 85.3 | Confident | 78.1 | Confident | 93 Ų | 93 | 56.3 Ų | 56.3 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 136.6 | 153.6 | -70.1 | -179.9 | 168.7 | -153.9 | -16.3 | 108.1 | I213 G216 F217 | I213-R322 VanDerWaalsContact O-CD 3.28Å; I213-R322 WeakPolarHBondContact O-CD 3.45Å; I213-R322 PolarHBondContact O-NH1 3.48Å; G216-R322 VanDerWaalsContact CA-O 3.23Å; G216-R322 WeakPolarHBondContact CA-O 3.48Å; G216-R322 PolarHBondContact N-O 3.34Å; F217-R322 PolarHBondContact O-N 2.81Å |
| 323 | P | 86.8 | Confident | 78.9 | Confident | 34 Ų | 34 | 55.3 Ų | 55.3 | 22% | 0.221 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 164.1 | 175.1 | -24.4 | 33.3 | 0 | 0 | 0 | 112.3 | G216 L357 | G216-P323 PolarHBondContact N-O 3.38Å; P323-L357 HydrophobicContact CB-CD2 3.62Å; P323-L357 HydrophobicContact CG-CD1 4.04Å; P323-L357 HydrophobicContact CG-CD2 3.89Å |
| 324 | L | 89.5 | Confident | 79.8 | Confident | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 152.7 | 176.4 | -77.4 | 173.3 | 0 | 0 | 0 | 111.9 | L195 F266 W304 Y305 M328 R329 L332 | L195-L324 HydrophobicContact CD1-CD2 3.99Å; L195-L324 HydrophobicContact CD2-CD2 3.61Å; L195-L324 HydrophobicContact CG-CD2 4.48Å; F266-L324 HydrophobicContact CE1-CD1 3.82Å; F266-L324 HydrophobicContact CZ-CD1 4.33Å; W304-L324 HydrophobicContact CB-CD1 4.23Å; W304-L324 WeakPolarHBondContact O-CG 3.49Å; Y305-L324 PolarHBondContact O-N 3.07Å; L324-M328 HydrophobicContact CB-CB 4.03Å; L324-M328 HydrophobicContact CD2-CB 4.49Å; L324-R329 HydrophobicContact CB-CG 4.02Å; L324-R329 WeakPolarHBondContact O-CD 3.34Å; L324-R329 WeakPolarHBondContact O-CG 3.4Å; L324-R329 PolarHBondContact O-NE 3.38Å; L324-L332 HydrophobicContact CD1-CD2 3.77Å |
| 325 | S | 85.5 | Confident | 81.1 | Confident | 31 Ų | 31 | 55.9 Ų | 55.9 | 22% | 0.217 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 153.6 | -178.6 | 73.5 | 0 | 0 | 0 | 0 | 111.5 | D215 N327 M328 R329 | D215-S325 WeakPolarHBondContact OD2-CA 3.19Å; D215-S325 WeakPolarHBondContact OD2-CB 3.19Å; S325-N327 VanDerWaalsContact C-N 3.25Å; S325-N327 PolarHBondContact O-N 2.91Å; S325-N327 VanDerWaalsContact O-N 3.13Å; S325-M328 WeakPolarHBondContact O-CA 3.23Å; S325-M328 WeakPolarHBondContact O-CB 3.46Å; S325-M328 PolarHBondContact O-N 2.82Å; S325-M328 WeakPolarHBondContact OG-CG 3.44Å; S325-R329 PolarHBondContact O-N 2.83Å |
| 326 | P | 83 | Confident | 82.3 | Confident | 17 Ų | 17 | 48.3 Ų | 48.3 | 11% | 0.11 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -51.2 | -41.9 | -176.4 | -30.9 | 36.6 | 0 | 0 | 0 | 114.1 | M328 R329 I330 L364 L433 | P326-M328 PolarHBondContact O-N 3.46Å; P326-R329 PolarHBondContact O-N 3.23Å; P326-I330 WeakPolarHBondContact O-CD1 3.45Å; P326-I330 VanDerWaalsContact O-CG1 3.24Å; P326-I330 WeakPolarHBondContact O-CG1 3.13Å; P326-I330 PolarHBondContact O-N 2.99Å; P326-L364 HydrophobicContact CG-CD2 3.8Å; P326-L433 HydrophobicContact CB-CD1 4.17Å; P326-L433 HydrophobicContact CB-CD2 4.17Å; P326-L433 HydrophobicContact CG-CD2 4.35Å |
| 327 | N | 85.9 | Confident | 83.4 | Confident | 62 Ų | 62 | 48.6 Ų | 48.6 | 33% | 0.332 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.8 | -35.3 | 177.5 | -66.4 | -60.6 | 0 | 0 | 0 | 112.6 | S325 K331 | S325-N327 VanDerWaalsContact C-N 3.25Å; S325-N327 PolarHBondContact O-N 2.91Å; S325-N327 VanDerWaalsContact O-N 3.13Å; N327-K331 WeakPolarHBondContact O-CB 3.42Å; N327-K331 WeakPolarHBondContact O-CG 3.35Å; N327-K331 PolarHBondContact O-N 3.45Å; N327-K331 VanDerWaalsContact O-N 3.07Å |
| 328 | M | 88.9 | Confident | 84.4 | Confident | 14 Ų | 14 | 41.8 Ų | 41.8 | 7% | 0.069 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -72.7 | -41.4 | 175.4 | -70 | -52.7 | -65.2 | 0 | 0 | 111.8 | F266 G269 L324 S325 P326 K331 L332 | F266-M328 HydrophobicContact CD1-CE 3.68Å; F266-M328 HydrophobicContact CE1-CE 4.43Å; G269-M328 WeakPolarHBondContact CA-SD 3.43Å; L324-M328 HydrophobicContact CB-CB 4.03Å; L324-M328 HydrophobicContact CD2-CB 4.49Å; S325-M328 WeakPolarHBondContact O-CA 3.23Å; S325-M328 WeakPolarHBondContact O-CB 3.46Å; S325-M328 PolarHBondContact O-N 2.82Å; S325-M328 WeakPolarHBondContact OG-CG 3.44Å; P326-M328 PolarHBondContact O-N 3.46Å; M328-K331 PolarHBondContact O-N 2.97Å; M328-K331 HydrophobicContact SD-CD 4.28Å; M328-L332 HydrophobicContact CE-CD1 3.88Å; M328-L332 WeakPolarHBondContact O-CB 3.48Å; M328-L332 WeakPolarHBondContact O-CD1 3.15Å; M328-L332 PolarHBondContact O-N 3.15Å |
| 329 | R | 91 | Very high | 84.8 | Confident | 10 Ų | 10 | 39.5 Ų | 39.5 | 4% | 0.038 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.4 | -49.7 | 173.3 | -77.8 | -170.4 | -80.3 | 144 | -10.6 | 111.4 | Y305 L324 S325 P326 K331 L332 G333 L357 | Y305-R329 HydrophobicContact CD1-CG 4.2Å; Y305-R329 HydrophobicContact CD2-CB 4.1Å; Y305-R329 HydrophobicContact CD2-CG 3.89Å; Y305-R329 HydrophobicContact CE1-CB 4.48Å; Y305-R329 HydrophobicContact CE1-CG 4Å; Y305-R329 HydrophobicContact CE2-CB 3.52Å; Y305-R329 HydrophobicContact CE2-CG 3.7Å; Y305-R329 WeakPolarHBondContact CE2-O 3.41Å; Y305-R329 HydrophobicContact CG-CG 4.13Å; L324-R329 HydrophobicContact CB-CG 4.02Å; L324-R329 WeakPolarHBondContact O-CD 3.34Å; L324-R329 WeakPolarHBondContact O-CG 3.4Å; L324-R329 PolarHBondContact O-NE 3.38Å; S325-R329 PolarHBondContact O-N 2.83Å; P326-R329 PolarHBondContact O-N 3.23Å; R329-K331 PolarHBondContact O-N 3.31Å; R329-L332 PolarHBondContact O-N 3.08Å; R329-G333 PolarHBondContact O-N 2.98Å; R329-L357 PolarHBondContact NH1-O 3.43Å |
| 330 | I | 88 | Confident | 84.9 | Confident | 32 Ų | 32 | 39.8 Ų | 39.8 | 16% | 0.164 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.2 | -41.4 | 176.6 | -62.9 | 159.2 | 0 | 0 | 0 | 111.9 | P326 H334 R432 L433 H436 | P326-I330 WeakPolarHBondContact O-CD1 3.45Å; P326-I330 VanDerWaalsContact O-CG1 3.24Å; P326-I330 WeakPolarHBondContact O-CG1 3.13Å; P326-I330 PolarHBondContact O-N 2.99Å; I330-H334 PolarHBondContact O-N 3.3Å; I330-R432 HydrophobicContact CD1-CB 4Å; I330-L433 HydrophobicContact CD1-CB 4.42Å; I330-L433 HydrophobicContact CD1-CD1 4.35Å; I330-L433 HydrophobicContact CG1-CD1 4.16Å; I330-H436 HydrophobicContact CG1-CB 4.08Å |
| 331 | K | 87.2 | Confident | 84.5 | Confident | 70 Ų | 70 | 40 Ų | 40 | 30% | 0.304 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.1 | -46.3 | 176.5 | -80 | 179.1 | -179.2 | -176.5 | 0 | 112.3 | Y268 G269 N327 M328 R329 Y335 | Y268-K331 PolarHBondContact O-NZ 2.95Å; G269-K331 VanDerWaalsContact C-NZ 3.28Å; G269-K331 VanDerWaalsContact CA-NZ 3.33Å; G269-K331 PolarHBondContact O-NZ 3.33Å; N327-K331 WeakPolarHBondContact O-CB 3.42Å; N327-K331 WeakPolarHBondContact O-CG 3.35Å; N327-K331 PolarHBondContact O-N 3.45Å; N327-K331 VanDerWaalsContact O-N 3.07Å; M328-K331 PolarHBondContact O-N 2.97Å; M328-K331 HydrophobicContact SD-CD 4.28Å; R329-K331 PolarHBondContact O-N 3.31Å; K331-Y335 VanDerWaalsContact O-CD2 3.27Å; K331-Y335 WeakPolarHBondContact O-CD2 3.12Å |
| 332 | L | 88.6 | Confident | 83.6 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -74.7 | -36.6 | -178.9 | -92.1 | 66.9 | 0 | 0 | 0 | 112.6 | L265 F266 L301 L324 M328 R329 H334 Y335 L336 | L265-L332 HydrophobicContact CB-CD1 4.42Å; F266-L332 HydrophobicContact CD1-CD1 4.43Å; F266-L332 HydrophobicContact CE1-CD1 4.37Å; F266-L332 HydrophobicContact CE1-CD2 3.88Å; L301-L332 HydrophobicContact CD1-CD2 3.52Å; L301-L332 HydrophobicContact CD1-CG 3.91Å; L301-L332 HydrophobicContact CG-CD2 4.23Å; L324-L332 HydrophobicContact CD1-CD2 3.77Å; M328-L332 HydrophobicContact CE-CD1 3.88Å; M328-L332 WeakPolarHBondContact O-CB 3.48Å; M328-L332 WeakPolarHBondContact O-CD1 3.15Å; M328-L332 PolarHBondContact O-N 3.15Å; R329-L332 PolarHBondContact O-N 3.08Å; L332-H334 PolarHBondContact O-N 2.94Å; L332-Y335 WeakPolarHBondContact O-CA 3.41Å; L332-Y335 WeakPolarHBondContact O-CB 3.45Å; L332-Y335 PolarHBondContact O-N 3.36Å; L332-L336 PolarHBondContact O-N 2.82Å; L332-L336 VanDerWaalsContact O-N 3.17Å |
| 333 | G | 85.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.7 | -30.1 | 180 | 0 | 0 | 0 | 0 | 0 | 113.3 | R329 Y335 L336 M337 | R329-G333 PolarHBondContact O-N 2.98Å; G333-Y335 PolarHBondContact O-N 3.45Å; G333-L336 PolarHBondContact O-N 3.48Å; G333-M337 WeakPolarHBondContact O-CB 3.46Å; G333-M337 WeakPolarHBondContact O-CG 3.38Å; G333-M337 PolarHBondContact O-N 3.18Å |
| 334 | H | 85.7 | Confident | 81.3 | Confident | 109 Ų | 109 | 37.2 Ų | 37.2 | 51% | 0.505 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -57.5 | -29.8 | 169.5 | 176.5 | 76.4 | 0 | 0 | 0 | 113.4 | I330 L332 R338 | I330-H334 PolarHBondContact O-N 3.3Å; L332-H334 PolarHBondContact O-N 2.94Å; H334-R338 PolarHBondContact NE2-NH2 2.99Å |
| 335 | Y | 85.5 | Confident | 80.3 | Confident | 20 Ų | 20 | 39.1 Ų | 39.1 | 8% | 0.078 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -88.6 | -36.4 | 178.7 | -65.7 | -85.7 | 0 | 0 | 0 | 112.5 | L265 L283 W292 K331 L332 G333 M337 R338 | L265-Y335 HydrophobicContact CD2-CD1 4.47Å; L265-Y335 HydrophobicContact CD2-CD2 3.61Å; L265-Y335 HydrophobicContact CD2-CE1 4.34Å; L265-Y335 HydrophobicContact CD2-CE2 3.47Å; L265-Y335 VanDerWaalsContact CD2-CE2 3.47Å; L265-Y335 HydrophobicContact CD2-CG 4.14Å; L283-Y335 HydrophobicContact CD1-CE1 4.5Å; L283-Y335 WeakPolarHBondContact CD2-OH 3.27Å; W292-Y335 AromaticContact CH2-CD1 3.42Å; W292-Y335 HydrophobicContact CH2-CD1 3.42Å; W292-Y335 VanDerWaalsContact CH2-CD1 3.42Å; W292-Y335 HydrophobicContact CH2-CE1 4.26Å; W292-Y335 AromaticContact CH2-CG 3.94Å; W292-Y335 HydrophobicContact CH2-CG 3.94Å; W292-Y335 AromaticContact CZ2-CD1 3.59Å; W292-Y335 HydrophobicContact CZ2-CD1 3.59Å; W292-Y335 HydrophobicContact CZ2-CE1 4.18Å; W292-Y335 HydrophobicContact CZ3-CD1 4.01Å; W292-Y335 HydrophobicContact CZ3-CG 4.19Å; K331-Y335 VanDerWaalsContact O-CD2 3.27Å; K331-Y335 WeakPolarHBondContact O-CD2 3.12Å; L332-Y335 WeakPolarHBondContact O-CA 3.41Å; L332-Y335 WeakPolarHBondContact O-CB 3.45Å; L332-Y335 PolarHBondContact O-N 3.36Å; G333-Y335 PolarHBondContact O-N 3.45Å; Y335-M337 PolarHBondContact O-N 3.15Å; Y335-R338 WeakPolarHBondContact O-CB 3.4Å; Y335-R338 PolarHBondContact O-N 3.35Å; Y335-R338 VanDerWaalsContact O-N 3.07Å |
| 336 | L | 85.4 | Confident | 79.4 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55 | -40.5 | 168.5 | -69.5 | 173.3 | 0 | 0 | 0 | 111.3 | L298 L301 L302 Y305 L332 G333 R338 S339 | L298-L336 HydrophobicContact CD2-CD2 3.99Å; L301-L336 HydrophobicContact CB-CD2 4.23Å; L301-L336 HydrophobicContact CD2-CD2 3.78Å; L301-L336 HydrophobicContact CD2-CG 4.02Å; L301-L336 HydrophobicContact CG-CD2 4.16Å; L302-L336 HydrophobicContact CD1-CD2 4.2Å; L302-L336 HydrophobicContact CD2-CD1 3.83Å; L302-L336 HydrophobicContact CD2-CD2 4.41Å; L302-L336 HydrophobicContact CG-CD1 4.1Å; L302-L336 HydrophobicContact CG-CD2 3.81Å; Y305-L336 HydrophobicContact CD2-CD1 4.18Å; L332-L336 PolarHBondContact O-N 2.82Å; L332-L336 VanDerWaalsContact O-N 3.17Å; G333-L336 PolarHBondContact O-N 3.48Å; L336-R338 PolarHBondContact O-N 2.89Å; L336-R338 VanDerWaalsContact O-N 3.09Å; L336-S339 PolarHBondContact O-N 2.65Å; L336-S339 PolarHBondContact O-OG 3.47Å |
| 337 | M | 84 | Confident | 78.9 | Confident | 52 Ų | 52 | 40.6 Ų | 40.6 | 26% | 0.256 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 5.9 | 179 | -62.3 | -95.9 | -64.2 | 0 | 0 | 114.8 | G333 Y335 D439 L440 H443 | G333-M337 WeakPolarHBondContact O-CB 3.46Å; G333-M337 WeakPolarHBondContact O-CG 3.38Å; G333-M337 PolarHBondContact O-N 3.18Å; Y335-M337 PolarHBondContact O-N 3.15Å; M337-D439 HydrophobicContact CE-CB 3.91Å; M337-L440 HydrophobicContact CG-CD2 4.15Å; M337-L440 HydrophobicContact SD-CD2 3.85Å; M337-L440 HydrophobicContact SD-CG 4.38Å; M337-H443 WeakPolarHBondContact CA-NE2 3.41Å; M337-H443 HydrophobicContact CE-CB 3.63Å; M337-H443 PolarHBondContact O-CE1 3.47Å; M337-H443 HydrophobicContact SD-CB 3.45Å; M337-H443 WeakPolarHBondContact SD-CB 3.38Å; M337-H443 PolarHBondContact SD-CD2 2.85Å |
| 338 | R | 85.2 | Confident | 78.5 | Confident | 70 Ų | 70 | 37.8 Ų | 37.8 | 26% | 0.264 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -35 | 171.8 | -64.3 | -176.7 | 178.7 | -158.3 | -1.4 | 112.5 | W292 H334 Y335 L336 | W292-R338 HydrophobicContact CB-CB 4.32Å; W292-R338 HydrophobicContact CG-CB 4.34Å; H334-R338 PolarHBondContact NE2-NH2 2.99Å; Y335-R338 WeakPolarHBondContact O-CB 3.4Å; Y335-R338 PolarHBondContact O-N 3.35Å; Y335-R338 VanDerWaalsContact O-N 3.07Å; L336-R338 PolarHBondContact O-N 2.89Å; L336-R338 VanDerWaalsContact O-N 3.09Å |
| 339 | S | 79.3 | Confident | 78 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -77.3 | 156.4 | -176.2 | 78.2 | 0 | 0 | 0 | 0 | 112.6 | W292 E293 L336 T342 | W292-S339 WeakPolarHBondContact O-CB 3.45Å; E293-S339 WeakPolarHBondContact OE1-CA 3.26Å; L336-S339 PolarHBondContact O-N 2.65Å; L336-S339 PolarHBondContact O-OG 3.47Å; S339-T342 VanDerWaalsContact OG-CG2 3.27Å; S339-T342 WeakPolarHBondContact OG-CG2 3.48Å; S339-T342 PolarHBondContact OG-OG1 2.75Å; S339-T342 VanDerWaalsContact OG-OG1 3.12Å | ||
| 340 | R | 73.5 | Confident | 77.6 | Confident | 145 Ų | 145 | 39 Ų | 39 | 55% | 0.547 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -108.3 | -21 | 167.9 | -59.8 | -174.5 | 179.7 | 173.3 | 1.8 | 112.4 | E293 T342 F343 P344 S2103 | E293-R340 PolarHBondContact OE1-N 3.22Å; E293-R340 PolarHBondContact OE2-N 3.35Å; R340-T342 PolarHBondContact O-N 3.13Å; R340-F343 HydrophobicContact CB-CD2 4.04Å; R340-F343 HydrophobicContact CB-CE2 4.08Å; R340-F343 HydrophobicContact CG-CE2 4.18Å; R340-F343 WeakPolarHBondContact O-CB 3.47Å; R340-F343 WeakPolarHBondContact O-CD2 3.48Å; R340-F343 WeakPolarHBondContact O-CG 3.42Å; R340-F343 PolarHBondContact O-N 2.88Å; R340-F343 VanDerWaalsContact O-N 3.08Å; R340-P344 WeakPolarHBondContact O-CD 3.12Å; R340-S2103 PolarHBondContact NH1-OG 3.12Å |
| 341 | I | 68.9 | Low | 77.4 | Confident | 54 Ų | 54 | 37.7 Ų | 37.7 | 28% | 0.277 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -15.9 | 177.2 | -157.3 | 166.8 | 0 | 0 | 0 | 112.9 | E293 E295 L298 F343 P344 L347 | E293-I341 WeakPolarHBondContact O-CD1 3.12Å; E293-I341 WeakPolarHBondContact O-CG2 3.33Å; E293-I341 WeakPolarHBondContact OE2-CB 3.38Å; E293-I341 PolarHBondContact OE2-N 2.96Å; E295-I341 HydrophobicContact CB-CD1 4.11Å; L298-I341 HydrophobicContact CD1-CG2 3.13Å; I341-F343 PolarHBondContact O-N 3.25Å; I341-P344 HydrophobicContact CG1-CG 4.34Å; I341-P344 VanDerWaalsContact O-CD 3.24Å; I341-P344 WeakPolarHBondContact O-CD 3.25Å; I341-P344 WeakPolarHBondContact O-CG 3.27Å; I341-L347 HydrophobicContact CG2-CD1 4.23Å |
| 342 | T | 62.6 | Low | 77.2 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -10.1 | 170.1 | 49.9 | 0 | 0 | 0 | 0 | 114.9 | L298 S339 R340 L347 A348 L351 | L298-T342 HydrophobicContact CD1-CG2 4.11Å; L298-T342 HydrophobicContact CD2-CG2 4.15Å; S339-T342 VanDerWaalsContact OG-CG2 3.27Å; S339-T342 WeakPolarHBondContact OG-CG2 3.48Å; S339-T342 PolarHBondContact OG-OG1 2.75Å; S339-T342 VanDerWaalsContact OG-OG1 3.12Å; R340-T342 PolarHBondContact O-N 3.13Å; T342-L347 HydrophobicContact CG2-CB 4.3Å; T342-L347 HydrophobicContact CG2-CD1 4.06Å; T342-L347 CarbonylContact O-C 3.5Å; T342-A348 WeakPolarHBondContact O-CA 3.45Å; T342-A348 PolarHBondContact O-N 2.88Å; T342-L351 HydrophobicContact CG2-CD1 4.5Å |
| 343 | F | 64 | Low | 77.1 | Confident | 13 Ų | 13 | 38.5 Ų | 38.5 | 6% | 0.057 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -86.2 | -42.5 | 179.8 | -56.4 | -46.6 | 0 | 0 | 0 | 115.2 | R340 I341 A348 L351 H443 L444 N447 V448 | R340-F343 HydrophobicContact CB-CD2 4.04Å; R340-F343 HydrophobicContact CB-CE2 4.08Å; R340-F343 HydrophobicContact CG-CE2 4.18Å; R340-F343 WeakPolarHBondContact O-CB 3.47Å; R340-F343 WeakPolarHBondContact O-CD2 3.48Å; R340-F343 WeakPolarHBondContact O-CG 3.42Å; R340-F343 PolarHBondContact O-N 2.88Å; R340-F343 VanDerWaalsContact O-N 3.08Å; I341-F343 PolarHBondContact O-N 3.25Å; F343-A348 WeakPolarHBondContact O-CB 3.24Å; F343-L351 HydrophobicContact CD1-CD1 4.49Å; F343-L351 HydrophobicContact CE1-CD1 4.43Å; F343-H443 AromaticContact CE1-CD2 3.51Å; F343-H443 AromaticContact CE1-NE2 3.84Å; F343-H443 WeakPolarHBondContact CE1-O 3.24Å; F343-H443 AromaticContact CZ-CD2 3.4Å; F343-H443 VanDerWaalsContact CZ-CD2 3.4Å; F343-H443 WeakPolarHBondContact CZ-CD2 3.3Å; F343-H443 AromaticContact CZ-CE1 3.64Å; F343-H443 AromaticContact CZ-CG 3.81Å; F343-H443 AromaticContact CZ-ND1 3.95Å; F343-H443 AromaticContact CZ-NE2 3.28Å; F343-H443 VanDerWaalsContact CZ-NE2 3.28Å; F343-H443 WeakPolarHBondContact CZ-NE2 3.42Å; F343-L444 HydrophobicContact CD1-CD1 4.39Å; F343-N447 HydrophobicContact CD1-CB 4.2Å; F343-N447 HydrophobicContact CD2-CB 3.41Å; F343-N447 VanDerWaalsContact CD2-CB 3.41Å; F343-N447 HydrophobicContact CE1-CB 3.94Å; F343-N447 HydrophobicContact CE2-CB 3.11Å; F343-N447 HydrophobicContact CG-CB 3.96Å; F343-N447 HydrophobicContact CZ-CB 3.39Å; F343-N447 WeakPolarHBondContact CZ-ND2 3.37Å; F343-V448 HydrophobicContact CB-CG2 3.71Å; F343-V448 HydrophobicContact CD1-CG2 3.77Å; F343-V448 HydrophobicContact CG-CG2 4.05Å |
| 344 | P | 60.3 | Low | 77.1 | Confident | 77 Ų | 77 | 38.5 Ų | 38.5 | 50% | 0.5 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -71.4 | 159.2 | 166.5 | 27.5 | -35.7 | 0 | 0 | 0 | 112.9 | R340 I341 | R340-P344 WeakPolarHBondContact O-CD 3.12Å; I341-P344 HydrophobicContact CG1-CG 4.34Å; I341-P344 VanDerWaalsContact O-CD 3.24Å; I341-P344 WeakPolarHBondContact O-CD 3.25Å; I341-P344 WeakPolarHBondContact O-CG 3.27Å |
| 345 | G | 68 | Low | 77.2 | Confident | 44 Ų | 44 | 33.3 Ų | 33.3 | 45% | 0.454 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | 67.8 | -152.4 | 161.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | L347 | G345-L347 VanDerWaalsContact C-N 3.32Å; G345-L347 PolarHBondContact O-N 3.01Å |
| 346 | P | 66.9 | Low | 77.2 | Confident | 77 Ų | 77 | 35.7 Ų | 35.7 | 50% | 0.5 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -76.5 | -17 | -172.1 | 31.7 | -35.6 | 0 | 0 | 0 | 113.8 | A348 S349 S350 | P346-A348 VanDerWaalsContact C-N 3.3Å; P346-A348 PolarHBondContact O-N 2.87Å; P346-S349 PolarHBondContact O-N 3.45Å; P346-S349 PolarHBondContact O-OG 2.84Å; P346-S350 PolarHBondContact O-N 3.46Å; P346-S350 PolarHBondContact O-OG 3.21Å |
| 347 | L | 73 | Confident | 77.2 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.9 | -36 | 173.9 | -70.1 | 178.5 | 0 | 0 | 0 | 111.7 | E295 L298 N299 L302 I341 T342 G345 S349 S350 L351 | E295-L347 HydrophobicContact CB-CD1 4.35Å; E295-L347 HydrophobicContact CG-CD1 3.99Å; E295-L347 HydrophobicContact CG-CG 4.46Å; L298-L347 HydrophobicContact CB-CD1 4.37Å; L298-L347 HydrophobicContact CD1-CD1 4.38Å; N299-L347 WeakPolarHBondContact OD1-CD2 3.48Å; L302-L347 HydrophobicContact CD1-CD2 3.71Å; I341-L347 HydrophobicContact CG2-CD1 4.23Å; T342-L347 HydrophobicContact CG2-CB 4.3Å; T342-L347 HydrophobicContact CG2-CD1 4.06Å; T342-L347 CarbonylContact O-C 3.5Å; G345-L347 VanDerWaalsContact C-N 3.32Å; G345-L347 PolarHBondContact O-N 3.01Å; L347-S349 PolarHBondContact O-N 2.96Å; L347-S350 CarbonylContact O-C 3.49Å; L347-S350 WeakPolarHBondContact O-CA 3.36Å; L347-S350 VanDerWaalsContact O-CB 3.29Å; L347-S350 WeakPolarHBondContact O-CB 3.49Å; L347-S350 PolarHBondContact O-N 3.33Å; L347-L351 PolarHBondContact O-N 3.26Å |
| 348 | A | 76.6 | Confident | 77.3 | Confident | 4 Ų | 4 | 35.3 Ų | 35.3 | 3% | 0.033 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.4 | -39.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | T342 F343 P346 S350 L351 V352 L444 L451 | T342-A348 WeakPolarHBondContact O-CA 3.45Å; T342-A348 PolarHBondContact O-N 2.88Å; F343-A348 WeakPolarHBondContact O-CB 3.24Å; P346-A348 VanDerWaalsContact C-N 3.3Å; P346-A348 PolarHBondContact O-N 2.87Å; A348-S350 VanDerWaalsContact C-N 3.32Å; A348-L351 PolarHBondContact O-N 2.71Å; A348-V352 WeakPolarHBondContact O-CG2 3.43Å; A348-V352 PolarHBondContact O-N 3.49Å; A348-L444 HydrophobicContact CB-CD1 4.35Å; A348-L451 HydrophobicContact CB-CD1 4.04Å |
| 349 | S | 79.2 | Confident | 77.2 | Confident | 43 Ų | 43 | 32.1 Ų | 32.1 | 30% | 0.301 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.4 | -37.7 | 170.6 | 21.8 | 0 | 0 | 0 | 0 | 112.3 | P346 L347 V352 E353 | P346-S349 PolarHBondContact O-N 3.45Å; P346-S349 PolarHBondContact O-OG 2.84Å; L347-S349 PolarHBondContact O-N 2.96Å; S349-V352 PolarHBondContact O-N 3.04Å; S349-E353 WeakPolarHBondContact O-CG 3.45Å; S349-E353 PolarHBondContact O-N 3.14Å |
| 350 | S | 82.1 | Confident | 77 | Confident | 7 Ų | 7 | 35.5 Ų | 35.5 | 5% | 0.049 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.2 | -34.2 | 176.8 | -54.7 | 0 | 0 | 0 | 0 | 112.3 | R308 P346 L347 A348 A354 | R308-S350 PolarHBondContact NH1-OG 2.91Å; R308-S350 PolarHBondContact NH2-OG 3.15Å; P346-S350 PolarHBondContact O-N 3.46Å; P346-S350 PolarHBondContact O-OG 3.21Å; L347-S350 CarbonylContact O-C 3.49Å; L347-S350 WeakPolarHBondContact O-CA 3.36Å; L347-S350 VanDerWaalsContact O-CB 3.29Å; L347-S350 WeakPolarHBondContact O-CB 3.49Å; L347-S350 PolarHBondContact O-N 3.33Å; A348-S350 VanDerWaalsContact C-N 3.32Å; S350-A354 VanDerWaalsContact O-CB 3.3Å; S350-A354 WeakPolarHBondContact O-CB 3.31Å; S350-A354 PolarHBondContact O-N 3.07Å |
| 351 | L | 83.8 | Confident | 76.4 | Confident | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.9 | -39.1 | 170.5 | -75.5 | -173 | 0 | 0 | 0 | 112.2 | L302 T342 F343 L347 A348 A354 A355 L440 L444 | L302-L351 HydrophobicContact CD2-CD2 4.42Å; T342-L351 HydrophobicContact CG2-CD1 4.5Å; F343-L351 HydrophobicContact CD1-CD1 4.49Å; F343-L351 HydrophobicContact CE1-CD1 4.43Å; L347-L351 PolarHBondContact O-N 3.26Å; A348-L351 PolarHBondContact O-N 2.71Å; L351-A354 PolarHBondContact O-N 2.65Å; L351-A355 WeakPolarHBondContact O-CB 3.41Å; L351-A355 PolarHBondContact O-N 2.88Å; L351-L440 HydrophobicContact CD2-CD2 4.21Å; L351-L444 HydrophobicContact CB-CD1 4.48Å; L351-L444 HydrophobicContact CD1-CD1 4.24Å |
| 352 | V | 83.7 | Confident | 75.6 | Confident | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.024 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.4 | -45.2 | 174.4 | 173 | 0 | 0 | 0 | 0 | 110.6 | A348 S349 A354 A355 M356 L444 A455 A458 A459 | A348-V352 WeakPolarHBondContact O-CG2 3.43Å; A348-V352 PolarHBondContact O-N 3.49Å; S349-V352 PolarHBondContact O-N 3.04Å; V352-A354 VanDerWaalsContact C-N 3.3Å; V352-A354 PolarHBondContact O-N 3.47Å; V352-A355 PolarHBondContact O-N 3.02Å; V352-M356 HydrophobicContact CG1-CG 4.37Å; V352-M356 VanDerWaalsContact O-CG 3.32Å; V352-M356 WeakPolarHBondContact O-CG 3.26Å; V352-M356 PolarHBondContact O-N 2.94Å; V352-L444 HydrophobicContact CG2-CD2 3.56Å; V352-A455 HydrophobicContact CG2-CB 4.33Å; V352-A458 HydrophobicContact CG1-CB 3.96Å; V352-A459 HydrophobicContact CG1-CB 4.03Å; V352-A459 HydrophobicContact CG2-CB 4.14Å |
| 353 | E | 85.7 | Confident | 75.1 | Confident | 84 Ų | 84 | 32.5 Ų | 32.5 | 39% | 0.393 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -54.8 | -45 | 170.9 | -72.7 | 168.6 | -169.4 | 0 | 0 | 111.6 | L306 R308 S349 A355 M356 L357 | L306-E353 HydrophobicContact CD1-CB 4.19Å; L306-E353 HydrophobicContact CD2-CB 3.9Å; R308-E353 IonicContact NH1-OE2 3.78Å; R308-E353 PolarHBondContact NH1-OE2 3.02Å; S349-E353 WeakPolarHBondContact O-CG 3.45Å; S349-E353 PolarHBondContact O-N 3.14Å; E353-A355 VanDerWaalsContact C-N 3.34Å; E353-A355 PolarHBondContact O-N 3.2Å; E353-M356 PolarHBondContact O-N 2.89Å; E353-L357 WeakPolarHBondContact O-CB 3.33Å; E353-L357 PolarHBondContact O-N 2.78Å |
| 354 | A | 86.4 | Confident | 74.1 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.1 | -33.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L302 Y305 L306 S350 L351 V352 A358 L440 | L302-A354 HydrophobicContact CD2-CB 4.27Å; Y305-A354 HydrophobicContact CD1-CB 3.8Å; Y305-A354 HydrophobicContact CE1-CB 3.41Å; Y305-A354 VanDerWaalsContact CE1-CB 3.41Å; Y305-A354 PolarHBondContact OH-O 3.47Å; Y305-A354 VanDerWaalsContact OH-O 3.09Å; L306-A354 HydrophobicContact CD2-CB 4.11Å; S350-A354 VanDerWaalsContact O-CB 3.3Å; S350-A354 WeakPolarHBondContact O-CB 3.31Å; S350-A354 PolarHBondContact O-N 3.07Å; L351-A354 PolarHBondContact O-N 2.65Å; V352-A354 VanDerWaalsContact C-N 3.3Å; V352-A354 PolarHBondContact O-N 3.47Å; A354-A358 PolarHBondContact O-N 2.89Å; A354-L440 HydrophobicContact CB-CD1 4.4Å |
| 355 | A | 87.1 | Confident | 72.9 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -75.7 | -42.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L351 V352 E353 L357 A358 L359 L440 L441 | L351-A355 WeakPolarHBondContact O-CB 3.41Å; L351-A355 PolarHBondContact O-N 2.88Å; V352-A355 PolarHBondContact O-N 3.02Å; E353-A355 VanDerWaalsContact C-N 3.34Å; E353-A355 PolarHBondContact O-N 3.2Å; A355-L357 VanDerWaalsContact C-N 3.31Å; A355-L357 PolarHBondContact O-N 3.18Å; A355-A358 PolarHBondContact O-N 2.84Å; A355-L359 WeakPolarHBondContact O-CG 3.45Å; A355-L359 PolarHBondContact O-N 3.42Å; A355-L440 HydrophobicContact CB-CB 3.94Å; A355-L440 HydrophobicContact CB-CD1 4.28Å; A355-L441 HydrophobicContact CB-CD2 3.78Å; A355-L441 HydrophobicContact CB-CG 3.84Å |
| 356 | M | 85.6 | Confident | 71.2 | Confident | 69 Ų | 69 | 37.2 Ų | 37.2 | 34% | 0.34 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -57.4 | -47 | 174.1 | -68.6 | -160.7 | -55 | 0 | 0 | 110.7 | V352 E353 A358 L359 D360 A458 C462 | V352-M356 HydrophobicContact CG1-CG 4.37Å; V352-M356 VanDerWaalsContact O-CG 3.32Å; V352-M356 WeakPolarHBondContact O-CG 3.26Å; V352-M356 PolarHBondContact O-N 2.94Å; E353-M356 PolarHBondContact O-N 2.89Å; M356-A358 PolarHBondContact O-N 2.85Å; M356-A358 VanDerWaalsContact O-N 3.12Å; M356-L359 PolarHBondContact O-N 3.18Å; M356-L359 VanDerWaalsContact O-N 3.09Å; M356-D360 WeakPolarHBondContact O-CB 3.24Å; M356-D360 PolarHBondContact O-N 3.01Å; M356-A458 HydrophobicContact SD-CB 4.22Å; M356-C462 HydrophobicContact CG-CB 3.77Å; M356-C462 HydrophobicContact SD-CB 4.23Å |
| 357 | L | 84.9 | Confident | 69.5 | Low | 45 Ų | 45 | 37.1 Ų | 37.1 | 24% | 0.236 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61 | -20.9 | 177.1 | -164.5 | 81 | 0 | 0 | 0 | 113.8 | Y305 L306 P323 R329 E353 A355 S363 | Y305-L357 HydrophobicContact CE1-CD2 4.23Å; L306-L357 HydrophobicContact CD2-CD2 4.4Å; P323-L357 HydrophobicContact CB-CD2 3.62Å; P323-L357 HydrophobicContact CG-CD1 4.04Å; P323-L357 HydrophobicContact CG-CD2 3.89Å; R329-L357 PolarHBondContact NH1-O 3.43Å; E353-L357 WeakPolarHBondContact O-CB 3.33Å; E353-L357 PolarHBondContact O-N 2.78Å; A355-L357 VanDerWaalsContact C-N 3.31Å; A355-L357 PolarHBondContact O-N 3.18Å; L357-S363 PolarHBondContact O-OG 3.16Å |
| 358 | A | 86.2 | Confident | 67.2 | Low | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -95.4 | -17.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A354 A355 M356 L433 | A354-A358 PolarHBondContact O-N 2.89Å; A355-A358 PolarHBondContact O-N 2.84Å; M356-A358 PolarHBondContact O-N 2.85Å; M356-A358 VanDerWaalsContact O-N 3.12Å; A358-L433 HydrophobicContact CB-CD1 4.09Å; A358-L433 HydrophobicContact CB-CG 4.11Å; A358-L433 CarbonylContact O-C 3.37Å |
| 359 | L | 83.4 | Confident | 64.7 | Low | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -99.8 | -22 | 177 | -67.5 | 171.1 | 0 | 0 | 0 | 113 | A355 M356 P361 T434 L438 L441 F466 | A355-L359 WeakPolarHBondContact O-CG 3.45Å; A355-L359 PolarHBondContact O-N 3.42Å; M356-L359 PolarHBondContact O-N 3.18Å; M356-L359 VanDerWaalsContact O-N 3.09Å; L359-P361 WeakPolarHBondContact O-CD 3.25Å; L359-T434 HydrophobicContact CD2-CG2 4.36Å; L359-L438 HydrophobicContact CD1-CD2 4.36Å; L359-L438 HydrophobicContact CD2-CD2 4.03Å; L359-L438 HydrophobicContact CD2-CG 4.14Å; L359-L441 HydrophobicContact CD1-CD1 3.73Å; L359-F466 HydrophobicContact CD2-CD1 4.19Å; L359-F466 HydrophobicContact CD2-CD2 4.17Å; L359-F466 HydrophobicContact CD2-CE1 4.34Å; L359-F466 HydrophobicContact CD2-CE2 4.31Å; L359-F466 HydrophobicContact CD2-CG 4.11Å; L359-F466 HydrophobicContact CD2-CZ 4.39Å |
| 360 | D | 75.5 | Confident | 62 | Low | 72 Ų | 72 | 57.4 Ų | 57.4 | 39% | 0.385 | 31% | 0.313 | S | S | . | . | trans | -67.9 | 118.4 | -178.9 | -167.3 | -41.6 | 0 | 0 | 0 | 111.9 | M356 S362 S363 | M356-D360 WeakPolarHBondContact O-CB 3.24Å; M356-D360 PolarHBondContact O-N 3.01Å; D360-S362 VanDerWaalsContact CG-OG 3.31Å; D360-S362 PolarHBondContact O-N 3.24Å; D360-S362 VanDerWaalsContact OD1-CB 3.23Å; D360-S362 WeakPolarHBondContact OD1-CB 3.44Å; D360-S362 PolarHBondContact OD1-N 3.16Å; D360-S362 PolarHBondContact OD1-OG 2.94Å; D360-S363 VanDerWaalsContact O-CB 3.3Å; D360-S363 WeakPolarHBondContact O-CB 3.41Å; D360-S363 PolarHBondContact O-N 3.38Å; D360-S363 VanDerWaalsContact O-N 3.15Å; D360-S363 PolarHBondContact O-OG 3.29Å | ||
| 361 | P | 59.9 | Low | 59.1 | Low | 61 Ų | 61 | 61.8 Ų | 61.8 | 40% | 0.396 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -23.6 | -178.9 | 28.2 | -36 | 0 | 0 | 0 | 113 | L359 S363 | L359-P361 WeakPolarHBondContact O-CD 3.25Å; P361-S363 PolarHBondContact O-N 3.12Å |
| 362 | S | 52.8 | Low | 56.1 | Low | 50 Ų | 50 | 69.9 Ų | 69.9 | 35% | 0.35 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.5 | -18.2 | 176.6 | 74.7 | 0 | 0 | 0 | 0 | 113 | D360 L364 A365 Q366 | D360-S362 VanDerWaalsContact CG-OG 3.31Å; D360-S362 PolarHBondContact O-N 3.24Å; D360-S362 VanDerWaalsContact OD1-CB 3.23Å; D360-S362 WeakPolarHBondContact OD1-CB 3.44Å; D360-S362 PolarHBondContact OD1-N 3.16Å; D360-S362 PolarHBondContact OD1-OG 2.94Å; S362-L364 PolarHBondContact O-N 2.87Å; S362-L364 VanDerWaalsContact O-N 3.16Å; S362-A365 PolarHBondContact O-N 2.8Å; S362-Q366 PolarHBondContact O-N 3.27Å; S362-Q366 VanDerWaalsContact O-N 3.16Å |
| 363 | S | 51.8 | Low | 53.2 | Low | 25 Ų | 25 | 75.1 Ų | 75.1 | 18% | 0.175 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -66.7 | -14.3 | -177.3 | 72.1 | 0 | 0 | 0 | 0 | 114.9 | L357 D360 P361 | L357-S363 PolarHBondContact O-OG 3.16Å; D360-S363 VanDerWaalsContact O-CB 3.3Å; D360-S363 WeakPolarHBondContact O-CB 3.41Å; D360-S363 PolarHBondContact O-N 3.38Å; D360-S363 VanDerWaalsContact O-N 3.15Å; D360-S363 PolarHBondContact O-OG 3.29Å; P361-S363 PolarHBondContact O-N 3.12Å |
| 364 | L | 43.7 | Very low | 50.1 | Low | 34 Ų | 34 | 74.6 Ų | 74.6 | 18% | 0.178 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -98.2 | -30.8 | 166.2 | -67.3 | -178.2 | 0 | 0 | 0 | 112.9 | P326 S362 Q366 S367 T425 Q430 | P326-L364 HydrophobicContact CG-CD2 3.8Å; S362-L364 PolarHBondContact O-N 2.87Å; S362-L364 VanDerWaalsContact O-N 3.16Å; L364-Q366 VanDerWaalsContact C-N 3.31Å; L364-Q366 PolarHBondContact O-N 3.19Å; L364-S367 WeakPolarHBondContact O-CB 3.48Å; L364-S367 PolarHBondContact O-N 2.96Å; L364-S367 PolarHBondContact O-OG 2.97Å; L364-T425 HydrophobicContact CD1-CG2 4.11Å; L364-T425 HydrophobicContact CD2-CG2 4.27Å; L364-Q430 HydrophobicContact CD1-CB 3.81Å; L364-Q430 HydrophobicContact CD1-CG 4.29Å |
| 365 | A | 34.1 | Very low | 47 | Very low | 63 Ų | 63 | 84.1 Ų | 84.1 | 52% | 0.521 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65 | -32 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S362 S367 N368 | S362-A365 PolarHBondContact O-N 2.8Å; A365-S367 PolarHBondContact O-N 3.46Å; A365-N368 PolarHBondContact O-N 3.32Å; A365-N368 VanDerWaalsContact O-N 3.13Å |
| 366 | Q | 32.9 | Very low | 43.9 | Very low | 135 Ų | 135 | 93.4 Ų | 93.4 | 63% | 0.631 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -5.2 | 176.1 | -68.8 | -172.8 | 9.3 | 0 | 0 | 115.2 | S362 L364 | S362-Q366 PolarHBondContact O-N 3.27Å; S362-Q366 VanDerWaalsContact O-N 3.16Å; L364-Q366 VanDerWaalsContact C-N 3.31Å; L364-Q366 PolarHBondContact O-N 3.19Å |
| 367 | S | 31.4 | Very low | 40.7 | Very low | 76 Ų | 76 | 96.1 Ų | 96.1 | 53% | 0.531 | 55% | 0.55 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.5 | -26.4 | 171.4 | 60.2 | 0 | 0 | 0 | 0 | 114 | L364 A365 | L364-S367 WeakPolarHBondContact O-CB 3.48Å; L364-S367 PolarHBondContact O-N 2.96Å; L364-S367 PolarHBondContact O-OG 2.97Å; A365-S367 PolarHBondContact O-N 3.46Å |
| 368 | N | 24.3 | Very low | 37.6 | Very low | 104 Ų | 104 | 98.7 Ų | 98.7 | 56% | 0.556 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -150.2 | 154 | 174.5 | -76.4 | -77.3 | 0 | 0 | 0 | 112.2 | A365 | A365-N368 PolarHBondContact O-N 3.32Å; A365-N368 VanDerWaalsContact O-N 3.13Å |
| 369 | F | 24 | Very low | 34.5 | Very low | 189 Ų | 189 | 104.7 Ų | 104.7 | 83% | 0.829 | 62% | 0.615 | S | S | * | * | trans | 69.1 | 89.2 | -179.6 | -57.5 | -81.9 | 0 | 0 | 0 | 116.9 | ||||
| 370 | L | 22.7 | Very low | 31.5 | Very low | 180 Ų | 180 | 112.1 Ų | 112.1 | 94% | 0.942 | 65% | 0.654 | S | S | * | * | trans | -112.2 | 99 | 141.6 | -83.6 | 172.9 | 0 | 0 | 0 | 108.3 | ||||
| 371 | S | 22 | Very low | 28.8 | Very low | 100 Ų | 100 | 114.2 Ų | 114.2 | 70% | 0.699 | 67% | 0.673 | S | S | * | * | trans | -106.5 | 115.5 | 170.6 | 53 | 0 | 0 | 0 | 0 | 109.4 | S373 | S371-S373 PolarHBondContact O-N 3.43Š| ||
| 372 | N | 20.1 | Very low | 26.9 | Very low | 173 Ų | 173 | 118.3 Ų | 118.3 | 93% | 0.925 | 69% | 0.691 | S | S | * | * | trans | -32 | 115.9 | -178.8 | -101.1 | -35.3 | 0 | 0 | 0 | 116 | ||||
| 373 | S | 22.2 | Very low | 25.5 | Very low | 114 Ų | 114 | 125.1 Ų | 125.1 | 80% | 0.797 | 72% | 0.716 | S | S | * | * | trans | -146.9 | 115.4 | 143.4 | 64.6 | 0 | 0 | 0 | 0 | 109.8 | S371 Q375 | S371-S373 PolarHBondContact O-N 3.43Å; S373-Q375 PolarHBondContact O-N 3.49Å | ||
| 374 | G | 22.2 | Very low | 24 | Very low | 73 Ų | 73 | 127.9 Ų | 127.9 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | trans | -87.3 | 104.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K376 | G374-K376 PolarHBondContact O-N 2.7Š| ||
| 375 | Q | 21 | Very low | 23 | Very low | 200 Ų | 200 | 132.3 Ų | 132.3 | 94% | 0.935 | 77% | 0.77 | S | S | * | * | trans | -73.3 | 91.8 | 164.8 | -76.9 | -176.4 | -34.7 | 0 | 0 | 110.2 | S373 | S373-Q375 PolarHBondContact O-N 3.49Š| ||
| 376 | K | 21.8 | Very low | 22.5 | Very low | 196 Ų | 196 | 135.9 Ų | 135.9 | 85% | 0.852 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 144.1 | 167 | -72.6 | 179.5 | 175.3 | 177.2 | 0 | 110.1 | G374 | G374-K376 PolarHBondContact O-N 2.7Š|
| 377 | C | 18.8 | Very low | 22 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 143.2 | 171 | -62.9 | 0 | 0 | 0 | 0 | 111.5 | ||
| 378 | A | 19.3 | Very low | 21.7 | Very low | 99 Ų | 99 | 140.8 Ų | 140.8 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 116.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 379 | T | 20.4 | Very low | 21.7 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 77% | 0.767 | 81% | 0.807 | S | S | * | * | trans | -156 | 104 | 157 | 3.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 380 | N | 21.8 | Very low | 21.6 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | 160.4 | 104.5 | 136.9 | -81.4 | -10.7 | 0 | 0 | 0 | 112.4 | ||||
| 381 | C | 17.5 | Very low | 21.7 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | trans | 16.9 | 125.2 | 134 | -128.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 382 | I | 20.8 | Very low | 21.7 | Very low | 148 Ų | 148 | 132 Ų | 132 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | 166.7 | 137.1 | 108.4 | -90.5 | 158.5 | 0 | 0 | 0 | 114.2 | |||||
| 383 | H | 23.9 | Very low | 21.9 | Very low | 192 Ų | 192 | 131 Ų | 131 | 89% | 0.889 | 78% | 0.784 | S | S | * | * | trans | 52 | 140.7 | 163.5 | -87.2 | -75.1 | 0 | 0 | 0 | 123 | ||||
| 384 | A | 19.2 | Very low | 21.9 | Very low | 83 Ų | 83 | 131.7 Ų | 131.7 | 69% | 0.686 | 78% | 0.784 | S | S | * | * | trans | -112 | 169.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 385 | T | 21.9 | Very low | 22 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -171.4 | 140.1 | 134.4 | 23.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 386 | I | 24.6 | Very low | 22.1 | Very low | 137 Ų | 137 | 130.9 Ų | 130.9 | 70% | 0.703 | 78% | 0.777 | S | S | * | * | trans | 69.1 | 100.3 | 140.7 | -58.5 | 163.8 | 0 | 0 | 0 | 121.6 | ||||
| 387 | E | 21.4 | Very low | 22.1 | Very low | 163 Ų | 163 | 125 Ų | 125 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | 30.1 | 132.5 | 122.3 | -51.9 | 171.4 | 157.5 | 0 | 0 | 123.4 | |||||
| 388 | N | 26.8 | Very low | 22.1 | Very low | 152 Ų | 152 | 125 Ų | 125 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | 178.7 | 167.2 | 100.4 | -95.8 | -73.7 | 0 | 0 | 0 | 114.2 | |||||
| 389 | G | 22.8 | Very low | 22.1 | Very low | 73 Ų | 73 | 130.3 Ų | 130.3 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | trans | -99.4 | -159.1 | -176 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 390 | S | 23.2 | Very low | 22.3 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | cis | -164.5 | -177.6 | -0.6 | 61.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 391 | T | 23.5 | Very low | 22.2 | Very low | 118 Ų | 118 | 133 Ų | 133 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | trans | 53.5 | 112.2 | 153.7 | 46.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 392 | S | 22.4 | Very low | 22.2 | Very low | 95 Ų | 95 | 133.1 Ų | 133.1 | 66% | 0.664 | 77% | 0.768 | S | S | * | * | 86.8 | 134.3 | 61.7 | 77 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 393 | D | 24.8 | Very low | 22.2 | Very low | 154 Ų | 154 | 132.7 Ų | 132.7 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | 165.8 | 173.1 | 130.4 | -80.3 | 8.9 | 0 | 0 | 0 | 111.6 | ||||
| 394 | T | 22.3 | Very low | 22.1 | Very low | 127 Ų | 127 | 129.4 Ų | 129.4 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | trans | -131.6 | -169.7 | -160.7 | 58.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 395 | D | 23.2 | Very low | 22.1 | Very low | 148 Ų | 148 | 135 Ų | 135 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | trans | 84.4 | 153.7 | 164.8 | -57.4 | 8.4 | 0 | 0 | 0 | 117.3 | ||||
| 396 | S | 22.9 | Very low | 22 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | cis | -166.2 | 146.6 | -30.6 | 58.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 397 | G | 22 | Very low | 21.8 | Very low | 72 Ų | 72 | 137.9 Ų | 137.9 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | 60 | 176.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 398 | T | 20.3 | Very low | 21.8 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | cis | -159.6 | 154.7 | -32.7 | -22.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 399 | Y | 18.6 | Very low | 21.5 | Very low | 212 Ų | 212 | 137 Ų | 137 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | trans | 61.1 | 130.4 | 162.9 | -76.5 | -75.3 | 0 | 0 | 0 | 121.6 | ||||
| 400 | I | 24.1 | Very low | 21.4 | Very low | 172 Ų | 172 | 141.4 Ų | 141.4 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | -171.6 | 154.6 | 115.5 | -96.6 | 161.4 | 0 | 0 | 0 | 109.6 | |||||
| 401 | Q | 19.4 | Very low | 21.3 | Very low | 168 Ų | 168 | 142 Ų | 142 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -144 | 173.4 | -175.3 | -160 | -179.4 | 10.9 | 0 | 0 | 110.6 | ||||
| 402 | T | 19.1 | Very low | 21.2 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 73% | 0.73 | 80% | 0.795 | S | S | * | * | trans | 76.3 | 104.9 | 177.4 | 70.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 403 | T | 19.7 | Very low | 21.4 | Very low | 138 Ų | 138 | 145.5 Ų | 145.5 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | 80.4 | 107.3 | 65.5 | 61.5 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 404 | S | 21.6 | Very low | 21.3 | Very low | 123 Ų | 123 | 142.6 Ų | 142.6 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -150.9 | 163.2 | 155.3 | 59.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 405 | K | 18.8 | Very low | 21.2 | Very low | 200 Ų | 200 | 142.2 Ų | 142.2 | 87% | 0.87 | 80% | 0.803 | S | S | * | * | trans | -126.2 | 143 | -177 | -62.1 | 175.4 | 179.9 | 176.3 | 0 | 110.6 | ||||
| 406 | T | 20.9 | Very low | 21.2 | Very low | 147 Ų | 147 | 141.3 Ų | 141.3 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -152.9 | 164.8 | 157.4 | 14 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 407 | Q | 19.5 | Very low | 21.2 | Very low | 179 Ų | 179 | 141.5 Ų | 141.5 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | trans | -94.7 | 152.2 | -174 | -59.4 | 146.6 | -37.4 | 0 | 0 | 111.6 | ||||
| 408 | T | 23.1 | Very low | 21.1 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | -176.9 | 149.4 | 116.9 | 33.7 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 409 | E | 20.2 | Very low | 21.2 | Very low | 170 Ų | 170 | 142.7 Ų | 142.7 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | -2.3 | 150.3 | 135.3 | -67.5 | 158.6 | -178.6 | 0 | 0 | 118.4 | ||||
| 410 | E | 19.8 | Very low | 21.4 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 77% | 0.771 | 80% | 0.799 | S | S | * | * | cis | -167 | -179.1 | -10.3 | -128.2 | -164.9 | -176.9 | 0 | 0 | 110.5 | ||||
| 411 | T | 22.4 | Very low | 21.2 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | 71.4 | 148.5 | 165.8 | 67 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 412 | M | 21.4 | Very low | 21.3 | Very low | 157 Ų | 157 | 134 Ų | 134 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | 62.8 | 98.6 | 167 | -60.1 | -54 | 115.7 | 0 | 0 | 118.9 | A414 | M412-A414 PolarHBondContact O-N 2.86Š| ||
| 413 | P | 24.9 | Very low | 21.6 | Very low | 129 Ų | 129 | 131.9 Ų | 131.9 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | -75.5 | 107.5 | 171.7 | 31.2 | -32.7 | 0 | 0 | 0 | 111.2 | S415 | P413-S415 PolarHBondContact O-N 3.08Š| ||
| 414 | A | 22.5 | Very low | 22.1 | Very low | 93 Ų | 93 | 131 Ų | 131 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -63.6 | 122.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | M412 T416 | M412-A414 PolarHBondContact O-N 2.86Å; A414-T416 PolarHBondContact O-N 3.12Å | ||
| 415 | S | 21.6 | Very low | 23.2 | Very low | 119 Ų | 119 | 128 Ų | 128 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | -61.8 | 108 | -178.5 | 55.2 | 0 | 0 | 0 | 0 | 111.2 | P413 | P413-S415 PolarHBondContact O-N 3.08Š| ||
| 416 | T | 22.2 | Very low | 25.1 | Very low | 129 Ų | 129 | 120.4 Ų | 120.4 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | trans | -60.9 | 137.1 | 178.2 | -35 | 0 | 0 | 0 | 0 | 109.9 | A414 G418 | A414-T416 PolarHBondContact O-N 3.12Å; T416-G418 PolarHBondContact O-N 3.28Å | ||
| 417 | P | 23.5 | Very low | 27.3 | Very low | 113 Ų | 113 | 116.1 Ų | 116.1 | 73% | 0.734 | 71% | 0.711 | S | S | * | * | trans | -57.7 | 133.2 | -176.5 | -26 | 34.9 | 0 | 0 | 0 | 111.8 | N419 | P417-N419 PolarHBondContact O-N 3.34Š| ||
| 418 | G | 20.6 | Very low | 29.9 | Very low | 78 Ų | 78 | 112.8 Ų | 112.8 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | trans | -66.8 | 83.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | T416 | T416-G418 PolarHBondContact O-N 3.28Š| ||
| 419 | N | 21 | Very low | 32.3 | Very low | 143 Ų | 143 | 109.8 Ų | 109.8 | 77% | 0.765 | 68% | 0.675 | S | S | * | * | trans | -58.9 | 117.5 | 179.5 | -159.7 | 11.1 | 0 | 0 | 0 | 108 | P417 T421 | P417-N419 PolarHBondContact O-N 3.34Å; N419-T421 PolarHBondContact O-N 2.88Å; N419-T421 VanDerWaalsContact O-N 3.07Å | ||
| 420 | P | 22.7 | Very low | 35.1 | Very low | 110 Ų | 110 | 103.2 Ų | 103.2 | 71% | 0.714 | 64% | 0.644 | S | S | * | * | trans | -62.8 | 119.5 | -169.5 | 23.7 | -33.8 | 0 | 0 | 0 | 109.3 | C422 | P420-C422 PolarHBondContact O-N 3.08Š| ||
| 421 | T | 21.3 | Very low | 38.1 | Very low | 138 Ų | 138 | 99.8 Ų | 99.8 | 85% | 0.847 | 62% | 0.624 | S | S | * | * | trans | -65.3 | 89.4 | 173.3 | 53 | 0 | 0 | 0 | 0 | 108.3 | N419 S423 | N419-T421 PolarHBondContact O-N 2.88Å; N419-T421 VanDerWaalsContact O-N 3.07Å; T421-S423 PolarHBondContact O-N 3.25Å | ||
| 422 | C | 20.9 | Very low | 41.1 | Very low | 123 Ų | 123 | 100.2 Ų | 100.2 | 83% | 0.831 | 61% | 0.613 | S | S | * | * | trans | -53 | 109.7 | 166.8 | -171.8 | 0 | 0 | 0 | 0 | 106 | P420 S424 | P420-C422 PolarHBondContact O-N 3.08Å; C422-S424 PolarHBondContact O-N 3.11Å; C422-S424 VanDerWaalsContact O-N 3.09Å | ||
| 423 | S | 25.4 | Very low | 44.1 | Very low | 74 Ų | 74 | 92.8 Ų | 92.8 | 52% | 0.517 | 58% | 0.576 | S | S | . | * | trans | -60.1 | 121.1 | -171.7 | 51.5 | 0 | 0 | 0 | 0 | 107.9 | T421 T425 | T421-S423 PolarHBondContact O-N 3.25Å; S423-T425 PolarHBondContact O-N 3.02Å; S423-T425 PolarHBondContact O-OG1 3.42Å | ||
| 424 | S | 30.2 | Very low | 47 | Very low | 118 Ų | 118 | 86.6 Ų | 86.6 | 83% | 0.825 | 54% | 0.536 | S | S | * | . | trans | -70.6 | 70.8 | 179.3 | 56.1 | 0 | 0 | 0 | 0 | 110.2 | C422 S426 | C422-S424 PolarHBondContact O-N 3.11Å; C422-S424 VanDerWaalsContact O-N 3.09Å; S424-S426 WeakPolarHBondContact O-CA 3.31Å; S424-S426 PolarHBondContact O-N 3.48Å | ||
| 425 | T | 43.6 | Very low | 50.3 | Low | 60 Ų | 60 | 84 Ų | 84 | 37% | 0.368 | 51% | 0.508 | S | S | . | . | trans | -58.2 | 93.8 | 168.2 | -55.5 | 0 | 0 | 0 | 0 | 105.9 | L364 S423 V427 | L364-T425 HydrophobicContact CD1-CG2 4.11Å; L364-T425 HydrophobicContact CD2-CG2 4.27Å; S423-T425 PolarHBondContact O-N 3.02Å; S423-T425 PolarHBondContact O-OG1 3.42Å; T425-V427 PolarHBondContact O-N 2.73Å | ||
| 426 | S | 60.2 | Low | 53.6 | Low | 41 Ų | 41 | 78.9 Ų | 78.9 | 29% | 0.287 | 47% | 0.471 | S | S | . | . | trans | -51.7 | 137.8 | -154.5 | 57.9 | 0 | 0 | 0 | 0 | 111.8 | S424 I428 Q429 Q430 | S424-S426 WeakPolarHBondContact O-CA 3.31Å; S424-S426 PolarHBondContact O-N 3.48Å; S426-I428 PolarHBondContact O-N 2.8Å; S426-Q429 WeakPolarHBondContact O-CA 3.21Å; S426-Q429 WeakPolarHBondContact O-CB 3.42Å; S426-Q429 PolarHBondContact O-N 3.4Å; S426-Q429 WeakPolarHBondContact OG-CG 3.45Å; S426-Q429 PolarHBondContact OG-N 2.96Å; S426-Q430 PolarHBondContact O-N 3.5Å | ||
| 427 | V | 67 | Low | 56.8 | Low | 57 Ų | 57 | 72.8 Ų | 72.8 | 35% | 0.345 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -55.1 | -30.5 | 175.6 | -172.8 | 0 | 0 | 0 | 0 | 110.4 | T425 Q429 Q430 R431 E474 | T425-V427 PolarHBondContact O-N 2.73Å; V427-Q429 VanDerWaalsContact C-N 3.31Å; V427-Q429 PolarHBondContact O-N 3.22Å; V427-Q430 PolarHBondContact O-N 2.99Å; V427-R431 VanDerWaalsContact O-CB 3.22Å; V427-R431 WeakPolarHBondContact O-CB 3.39Å; V427-R431 PolarHBondContact O-N 2.78Å; V427-E474 VanDerWaalsContact CB-OE2 3.29Å; V427-E474 WeakPolarHBondContact CB-OE2 3.38Å; V427-E474 HydrophobicContact CG1-CB 3.92Å; V427-E474 WeakPolarHBondContact CG1-OE2 3.1Å |
| 428 | I | 74 | Confident | 60.1 | Low | 110 Ų | 110 | 67.4 Ų | 67.4 | 56% | 0.564 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -49.2 | -43 | 167.6 | -56.6 | 169 | 0 | 0 | 0 | 113.3 | S426 R432 | S426-I428 PolarHBondContact O-N 2.8Å; I428-R432 WeakPolarHBondContact O-CB 3.44Å; I428-R432 WeakPolarHBondContact O-CG 3.3Å; I428-R432 PolarHBondContact O-N 2.64Å |
| 429 | Q | 73.9 | Confident | 63.4 | Low | 65 Ų | 65 | 66.3 Ų | 66.3 | 30% | 0.304 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -71.9 | -44.4 | 177.7 | -79.2 | 178.3 | -7 | 0 | 0 | 112.1 | S426 V427 R431 R432 L433 | S426-Q429 WeakPolarHBondContact O-CA 3.21Å; S426-Q429 WeakPolarHBondContact O-CB 3.42Å; S426-Q429 PolarHBondContact O-N 3.4Å; S426-Q429 WeakPolarHBondContact OG-CG 3.45Å; S426-Q429 PolarHBondContact OG-N 2.96Å; V427-Q429 VanDerWaalsContact C-N 3.31Å; V427-Q429 PolarHBondContact O-N 3.22Å; Q429-R431 VanDerWaalsContact C-N 3.33Å; Q429-R431 PolarHBondContact O-N 2.79Å; Q429-R432 PolarHBondContact O-N 3.04Å; Q429-L433 WeakPolarHBondContact O-CB 3.49Å; Q429-L433 PolarHBondContact O-N 3.03Å |
| 430 | Q | 78.4 | Confident | 66.6 | Low | 32 Ų | 32 | 59.6 Ų | 59.6 | 15% | 0.15 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 175.8 | -179.8 | 60.2 | -2.6 | 0 | 0 | 111.2 | L364 S426 V427 L433 T434 | L364-Q430 HydrophobicContact CD1-CB 3.81Å; L364-Q430 HydrophobicContact CD1-CG 4.29Å; S426-Q430 PolarHBondContact O-N 3.5Å; V427-Q430 PolarHBondContact O-N 2.99Å; Q430-L433 PolarHBondContact O-N 3.01Å; Q430-T434 HydrophobicContact CG-CG2 4.45Å; Q430-T434 WeakPolarHBondContact O-CB 3.11Å; Q430-T434 WeakPolarHBondContact O-CG2 3.23Å; Q430-T434 PolarHBondContact O-N 3Å; Q430-T434 PolarHBondContact O-OG1 3.2Å |
| 431 | R | 83 | Confident | 69.7 | Low | 93 Ų | 93 | 54.5 Ų | 54.5 | 35% | 0.351 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.2 | -48.3 | 172.6 | 176.2 | 173 | 172.5 | 159.6 | 5.3 | 111.7 | V427 Q429 L433 T434 E435 L475 V478 | V427-R431 VanDerWaalsContact O-CB 3.22Å; V427-R431 WeakPolarHBondContact O-CB 3.39Å; V427-R431 PolarHBondContact O-N 2.78Å; Q429-R431 VanDerWaalsContact C-N 3.33Å; Q429-R431 PolarHBondContact O-N 2.79Å; R431-L433 VanDerWaalsContact C-N 3.34Å; R431-L433 PolarHBondContact O-N 2.84Å; R431-T434 WeakPolarHBondContact CA-OG1 3.21Å; R431-T434 PolarHBondContact O-N 3.19Å; R431-T434 PolarHBondContact O-OG1 2.96Å; R431-T434 VanDerWaalsContact O-OG1 3.08Å; R431-E435 HydrophobicContact CG-CG 4.34Å; R431-E435 IonicContact CZ-OE1 2.67Å; R431-E435 IonicContact NE-OE1 3.54Å; R431-E435 PolarHBondContact NE-OE1 3.47Å; R431-E435 IonicContact NH2-OE1 2.82Å; R431-E435 PolarHBondContact NH2-OE1 3.35Å; R431-E435 VanDerWaalsContact O-CB 3.27Å; R431-E435 WeakPolarHBondContact O-CB 3.49Å; R431-E435 VanDerWaalsContact O-CG 3.26Å; R431-E435 WeakPolarHBondContact O-CG 3.42Å; R431-E435 PolarHBondContact O-N 2.96Å; R431-L475 HydrophobicContact CB-CD1 4.42Å; R431-V478 HydrophobicContact CG-CG2 4.04Å |
| 432 | R | 83.9 | Confident | 72.9 | Confident | 123 Ų | 123 | 48.6 Ų | 48.6 | 46% | 0.464 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -67 | -32.8 | 179 | -75.3 | 174.8 | 65.7 | -178.1 | 0.5 | 113.3 | I330 I428 Q429 H436 | I330-R432 HydrophobicContact CD1-CB 4Å; I428-R432 WeakPolarHBondContact O-CB 3.44Å; I428-R432 WeakPolarHBondContact O-CG 3.3Å; I428-R432 PolarHBondContact O-N 2.64Å; Q429-R432 PolarHBondContact O-N 3.04Å; R432-H436 WeakPolarHBondContact O-CB 3.34Å; R432-H436 PolarHBondContact O-N 3.49Å |
| 433 | L | 85 | Confident | 76 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72.3 | -43.7 | 176.4 | -171.6 | 65.8 | 0 | 0 | 0 | 111.2 | P326 I330 A358 Q429 Q430 R431 H436 G437 | P326-L433 HydrophobicContact CB-CD1 4.17Å; P326-L433 HydrophobicContact CB-CD2 4.17Å; P326-L433 HydrophobicContact CG-CD2 4.35Å; I330-L433 HydrophobicContact CD1-CB 4.42Å; I330-L433 HydrophobicContact CD1-CD1 4.35Å; I330-L433 HydrophobicContact CG1-CD1 4.16Å; A358-L433 HydrophobicContact CB-CD1 4.09Å; A358-L433 HydrophobicContact CB-CG 4.11Å; A358-L433 CarbonylContact O-C 3.37Å; Q429-L433 WeakPolarHBondContact O-CB 3.49Å; Q429-L433 PolarHBondContact O-N 3.03Å; Q430-L433 PolarHBondContact O-N 3.01Å; R431-L433 VanDerWaalsContact C-N 3.34Å; R431-L433 PolarHBondContact O-N 2.84Å; L433-H436 WeakPolarHBondContact O-CB 3.49Å; L433-H436 PolarHBondContact O-N 3.14Å; L433-G437 PolarHBondContact O-N 3.05Å |
| 434 | T | 86.7 | Confident | 78.7 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.9 | -38.1 | 177.7 | 51.5 | 0 | 0 | 0 | 0 | 112.6 | L359 Q430 R431 H436 G437 L438 F466 | L359-T434 HydrophobicContact CD2-CG2 4.36Å; Q430-T434 HydrophobicContact CG-CG2 4.45Å; Q430-T434 WeakPolarHBondContact O-CB 3.11Å; Q430-T434 WeakPolarHBondContact O-CG2 3.23Å; Q430-T434 PolarHBondContact O-N 3Å; Q430-T434 PolarHBondContact O-OG1 3.2Å; R431-T434 WeakPolarHBondContact CA-OG1 3.21Å; R431-T434 PolarHBondContact O-N 3.19Å; R431-T434 PolarHBondContact O-OG1 2.96Å; R431-T434 VanDerWaalsContact O-OG1 3.08Å; T434-H436 VanDerWaalsContact C-N 3.29Å; T434-H436 PolarHBondContact O-N 3.45Å; T434-G437 PolarHBondContact O-N 3.3Å; T434-L438 WeakPolarHBondContact O-CG 3.35Å; T434-L438 PolarHBondContact O-N 3.04Å; T434-F466 HydrophobicContact CG2-CD2 4.46Å; T434-F466 HydrophobicContact CG2-CE2 3.57Å; T434-F466 HydrophobicContact CG2-CZ 4.02Å |
| 435 | E | 90.3 | Very high | 81.1 | Confident | 37 Ų | 37 | 36 Ų | 36 | 17% | 0.173 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -54.8 | -45.1 | 167.9 | -79.4 | 176 | 178.5 | 0 | 0 | 110.8 | R431 L438 D439 V478 | R431-E435 HydrophobicContact CG-CG 4.34Å; R431-E435 IonicContact CZ-OE1 2.67Å; R431-E435 IonicContact NE-OE1 3.54Å; R431-E435 PolarHBondContact NE-OE1 3.47Å; R431-E435 IonicContact NH2-OE1 2.82Å; R431-E435 PolarHBondContact NH2-OE1 3.35Å; R431-E435 VanDerWaalsContact O-CB 3.27Å; R431-E435 WeakPolarHBondContact O-CB 3.49Å; R431-E435 VanDerWaalsContact O-CG 3.26Å; R431-E435 WeakPolarHBondContact O-CG 3.42Å; R431-E435 PolarHBondContact O-N 2.96Å; E435-L438 PolarHBondContact O-N 2.93Å; E435-D439 VanDerWaalsContact O-CG 3.29Å; E435-D439 PolarHBondContact O-N 3.23Å; E435-V478 HydrophobicContact CG-CG1 4.29Å; E435-V478 HydrophobicContact CG-CG2 3.91Å |
| 436 | H | 91.2 | Very high | 82.8 | Confident | 13 Ų | 13 | 38 Ų | 38 | 6% | 0.06 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.6 | -39.1 | 176.3 | 178 | 41.4 | 0 | 0 | 0 | 113.3 | I330 R432 L433 T434 L438 D439 L440 | I330-H436 HydrophobicContact CG1-CB 4.08Å; R432-H436 WeakPolarHBondContact O-CB 3.34Å; R432-H436 PolarHBondContact O-N 3.49Å; L433-H436 WeakPolarHBondContact O-CB 3.49Å; L433-H436 PolarHBondContact O-N 3.14Å; T434-H436 VanDerWaalsContact C-N 3.29Å; T434-H436 PolarHBondContact O-N 3.45Å; H436-L438 VanDerWaalsContact C-N 3.32Å; H436-L438 PolarHBondContact O-N 3.11Å; H436-D439 WeakPolarHBondContact O-CB 3.49Å; H436-D439 PolarHBondContact O-N 2.92Å; H436-L440 WeakPolarHBondContact O-CG 3.46Å; H436-L440 PolarHBondContact O-N 3.43Å |
| 437 | G | 90.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.6 | -39.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L433 T434 L441 | L433-G437 PolarHBondContact O-N 3.05Å; T434-G437 PolarHBondContact O-N 3.3Å; G437-L441 PolarHBondContact O-N 3.01Å |
| 438 | L | 91.8 | Very high | 83.8 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.9 | -33.4 | 172.6 | -67.6 | -173 | 0 | 0 | 0 | 113 | L359 T434 E435 H436 L441 S442 L463 F466 V478 R481 A482 I485 | L359-L438 HydrophobicContact CD1-CD2 4.36Å; L359-L438 HydrophobicContact CD2-CD2 4.03Å; L359-L438 HydrophobicContact CD2-CG 4.14Å; T434-L438 WeakPolarHBondContact O-CG 3.35Å; T434-L438 PolarHBondContact O-N 3.04Å; E435-L438 PolarHBondContact O-N 2.93Å; H436-L438 VanDerWaalsContact C-N 3.32Å; H436-L438 PolarHBondContact O-N 3.11Å; L438-L441 PolarHBondContact O-N 2.97Å; L438-S442 WeakPolarHBondContact O-CB 3.45Å; L438-S442 PolarHBondContact O-N 3.36Å; L438-L463 HydrophobicContact CD2-CD1 3.51Å; L438-F466 HydrophobicContact CD1-CE1 4.32Å; L438-V478 HydrophobicContact CD1-CG1 3.63Å; L438-V478 VanDerWaalsContact CD1-O 3.29Å; L438-V478 WeakPolarHBondContact CD1-O 3.42Å; L438-R481 HydrophobicContact CD1-CB 4.19Å; L438-R481 HydrophobicContact CD1-CG 4.32Å; L438-A482 HydrophobicContact CD1-CB 4.13Å; L438-A482 HydrophobicContact CD2-CB 4.05Å; L438-I485 HydrophobicContact CB-CD1 3.8Å; L438-I485 HydrophobicContact CD1-CD1 4.34Å; L438-I485 HydrophobicContact CD2-CD1 4.13Å; L438-I485 HydrophobicContact CG-CD1 4.31Å |
| 439 | D | 90.5 | Very high | 83.4 | Confident | 55 Ų | 55 | 37.7 Ų | 37.7 | 29% | 0.294 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.2 | -45.7 | 173.7 | -70.6 | -27.9 | 0 | 0 | 0 | 111.3 | M337 E435 H436 L441 S442 H443 R481 | M337-D439 HydrophobicContact CE-CB 3.91Å; E435-D439 VanDerWaalsContact O-CG 3.29Å; E435-D439 PolarHBondContact O-N 3.23Å; H436-D439 WeakPolarHBondContact O-CB 3.49Å; H436-D439 PolarHBondContact O-N 2.92Å; D439-L441 VanDerWaalsContact C-N 3.35Å; D439-L441 PolarHBondContact O-N 3.23Å; D439-S442 PolarHBondContact O-N 2.85Å; D439-H443 VanDerWaalsContact O-CB 3.26Å; D439-H443 WeakPolarHBondContact O-CB 3.2Å; D439-H443 PolarHBondContact O-N 3.25Å; D439-R481 IonicContact OD1-CZ 3.38Å; D439-R481 IonicContact OD1-NH1 2.94Å; D439-R481 PolarHBondContact OD1-NH1 3.32Å; D439-R481 IonicContact OD1-NH2 2.79Å; D439-R481 PolarHBondContact OD1-NH2 2.57Å |
| 440 | L | 89.3 | Confident | 82.9 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.2 | -46.4 | 174.3 | -72.3 | 166 | 0 | 0 | 0 | 111.5 | M337 L351 A354 A355 H436 H443 L444 | M337-L440 HydrophobicContact CG-CD2 4.15Å; M337-L440 HydrophobicContact SD-CD2 3.85Å; M337-L440 HydrophobicContact SD-CG 4.38Å; L351-L440 HydrophobicContact CD2-CD2 4.21Å; A354-L440 HydrophobicContact CB-CD1 4.4Å; A355-L440 HydrophobicContact CB-CB 3.94Å; A355-L440 HydrophobicContact CB-CD1 4.28Å; H436-L440 WeakPolarHBondContact O-CG 3.46Å; H436-L440 PolarHBondContact O-N 3.43Å; L440-H443 PolarHBondContact O-N 3.18Å; L440-L444 WeakPolarHBondContact O-CB 3.27Å; L440-L444 PolarHBondContact O-N 3.11Å |
| 441 | L | 87.6 | Confident | 82.3 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.3 | -40.5 | 176.7 | -68.3 | -178.9 | 0 | 0 | 0 | 112.7 | A355 L359 G437 L438 D439 H443 L444 I445 A459 L463 | A355-L441 HydrophobicContact CB-CD2 3.78Å; A355-L441 HydrophobicContact CB-CG 3.84Å; L359-L441 HydrophobicContact CD1-CD1 3.73Å; G437-L441 PolarHBondContact O-N 3.01Å; L438-L441 PolarHBondContact O-N 2.97Å; D439-L441 VanDerWaalsContact C-N 3.35Å; D439-L441 PolarHBondContact O-N 3.23Å; L441-H443 VanDerWaalsContact C-N 3.31Å; L441-H443 PolarHBondContact O-N 2.95Å; L441-L444 WeakPolarHBondContact O-CB 3.42Å; L441-L444 PolarHBondContact O-N 2.69Å; L441-I445 WeakPolarHBondContact O-CD1 3.5Å; L441-I445 VanDerWaalsContact O-CG1 3.22Å; L441-I445 WeakPolarHBondContact O-CG1 3.49Å; L441-I445 PolarHBondContact O-N 3.07Å; L441-A459 HydrophobicContact CD2-CB 3.99Å; L441-L463 HydrophobicContact CD1-CB 4.34Å; L441-L463 HydrophobicContact CD1-CD1 4Å |
| 442 | S | 87.7 | Confident | 81.5 | Confident | 13 Ų | 13 | 41 Ų | 41 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.6 | -35 | 177.3 | -170.4 | 0 | 0 | 0 | 0 | 112 | L438 D439 N446 R488 | L438-S442 WeakPolarHBondContact O-CB 3.45Å; L438-S442 PolarHBondContact O-N 3.36Å; D439-S442 PolarHBondContact O-N 2.85Å; S442-N446 VanDerWaalsContact O-CB 3.25Å; S442-N446 WeakPolarHBondContact O-CB 3.48Å; S442-N446 PolarHBondContact O-N 3.46Å; S442-N446 PolarHBondContact O-ND2 2.97Å; S442-N446 PolarHBondContact O-OD1 3.46Å; S442-R488 PolarHBondContact OG-NH1 2.93Å |
| 443 | H | 85.9 | Confident | 80.8 | Confident | 31 Ų | 31 | 37.3 Ų | 37.3 | 14% | 0.144 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.6 | -41.4 | 175.3 | -175.9 | 76.7 | 0 | 0 | 0 | 111.2 | M337 F343 D439 L440 L441 N447 | M337-H443 WeakPolarHBondContact CA-NE2 3.41Å; M337-H443 HydrophobicContact CE-CB 3.63Å; M337-H443 PolarHBondContact O-CE1 3.47Å; M337-H443 HydrophobicContact SD-CB 3.45Å; M337-H443 WeakPolarHBondContact SD-CB 3.38Å; M337-H443 PolarHBondContact SD-CD2 2.85Å; F343-H443 AromaticContact CE1-CD2 3.51Å; F343-H443 AromaticContact CE1-NE2 3.84Å; F343-H443 WeakPolarHBondContact CE1-O 3.24Å; F343-H443 AromaticContact CZ-CD2 3.4Å; F343-H443 VanDerWaalsContact CZ-CD2 3.4Å; F343-H443 WeakPolarHBondContact CZ-CD2 3.3Å; F343-H443 AromaticContact CZ-CE1 3.64Å; F343-H443 AromaticContact CZ-CG 3.81Å; F343-H443 AromaticContact CZ-ND1 3.95Å; F343-H443 AromaticContact CZ-NE2 3.28Å; F343-H443 VanDerWaalsContact CZ-NE2 3.28Å; F343-H443 WeakPolarHBondContact CZ-NE2 3.42Å; D439-H443 VanDerWaalsContact O-CB 3.26Å; D439-H443 WeakPolarHBondContact O-CB 3.2Å; D439-H443 PolarHBondContact O-N 3.25Å; L440-H443 PolarHBondContact O-N 3.18Å; L441-H443 VanDerWaalsContact C-N 3.31Å; L441-H443 PolarHBondContact O-N 2.95Å; H443-N447 PolarHBondContact O-N 3.33Å; H443-N447 PolarHBondContact O-ND2 3.47Å |
| 444 | L | 82.8 | Confident | 80.1 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.7 | -51.1 | 171.8 | -168.2 | 78.6 | 0 | 0 | 0 | 111.9 | F343 A348 L351 V352 L440 L441 N446 V448 L451 | F343-L444 HydrophobicContact CD1-CD1 4.39Å; A348-L444 HydrophobicContact CB-CD1 4.35Å; L351-L444 HydrophobicContact CB-CD1 4.48Å; L351-L444 HydrophobicContact CD1-CD1 4.24Å; V352-L444 HydrophobicContact CG2-CD2 3.56Å; L440-L444 WeakPolarHBondContact O-CB 3.27Å; L440-L444 PolarHBondContact O-N 3.11Å; L441-L444 WeakPolarHBondContact O-CB 3.42Å; L441-L444 PolarHBondContact O-N 2.69Å; L444-N446 VanDerWaalsContact C-N 3.34Å; L444-N446 PolarHBondContact O-N 3.33Å; L444-V448 HydrophobicContact CD1-CG2 3.58Å; L444-V448 HydrophobicContact CG-CG2 3.9Å; L444-V448 VanDerWaalsContact O-CB 3.27Å; L444-V448 WeakPolarHBondContact O-CB 3.37Å; L444-V448 VanDerWaalsContact O-CG2 3.22Å; L444-V448 WeakPolarHBondContact O-CG2 3.49Å; L444-V448 PolarHBondContact O-N 2.97Å; L444-L451 HydrophobicContact CD1-CD1 4.37Å; L444-L451 HydrophobicContact CD2-CD1 4.34Å; L444-L451 HydrophobicContact CD2-CD2 3.91Å |
| 445 | I | 79.6 | Confident | 79.5 | Confident | 17 Ų | 17 | 42.3 Ų | 42.3 | 9% | 0.087 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.4 | -44.3 | -179.8 | -66.2 | 161.3 | 0 | 0 | 0 | 111.7 | L441 N447 I485 R488 F489 R492 | L441-I445 WeakPolarHBondContact O-CD1 3.5Å; L441-I445 VanDerWaalsContact O-CG1 3.22Å; L441-I445 WeakPolarHBondContact O-CG1 3.49Å; L441-I445 PolarHBondContact O-N 3.07Å; I445-N447 VanDerWaalsContact C-N 3.34Å; I445-N447 PolarHBondContact O-N 3.25Å; I445-I485 HydrophobicContact CD1-CG2 3.51Å; I445-R488 HydrophobicContact CG2-CB 4.36Å; I445-F489 HydrophobicContact CD1-CD2 3.33Å; I445-F489 HydrophobicContact CD1-CE2 3.51Å; I445-F489 HydrophobicContact CD1-CG 3.94Å; I445-F489 HydrophobicContact CD1-CZ 4.24Å; I445-F489 HydrophobicContact CG1-CD1 4.26Å; I445-F489 HydrophobicContact CG1-CD2 3.69Å; I445-F489 HydrophobicContact CG1-CE1 4.09Å; I445-F489 HydrophobicContact CG1-CE2 3.5Å; I445-F489 VanDerWaalsContact CG1-CE2 3.5Å; I445-F489 HydrophobicContact CG1-CG 4.06Å; I445-F489 HydrophobicContact CG1-CZ 3.71Å; I445-R492 PolarHBondContact O-NH1 3.38Å |
| 446 | N | 80.6 | Confident | 78.8 | Confident | 104 Ų | 104 | 41 Ų | 41 | 56% | 0.556 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -74.5 | -21.6 | -170.3 | -70.9 | 2.5 | 0 | 0 | 0 | 113.4 | S442 L444 R488 | S442-N446 VanDerWaalsContact O-CB 3.25Å; S442-N446 WeakPolarHBondContact O-CB 3.48Å; S442-N446 PolarHBondContact O-N 3.46Å; S442-N446 PolarHBondContact O-ND2 2.97Å; S442-N446 PolarHBondContact O-OD1 3.46Å; L444-N446 VanDerWaalsContact C-N 3.34Å; L444-N446 PolarHBondContact O-N 3.33Å; N446-R488 PolarHBondContact OD1-NH1 3.34Å |
| 447 | N | 74.7 | Confident | 78.1 | Confident | 70 Ų | 70 | 43.4 Ų | 43.4 | 37% | 0.374 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -122.5 | -27.8 | -171.8 | -60.8 | -79.7 | 0 | 0 | 0 | 115 | F343 H443 I445 T449 | F343-N447 HydrophobicContact CD1-CB 4.2Å; F343-N447 HydrophobicContact CD2-CB 3.41Å; F343-N447 VanDerWaalsContact CD2-CB 3.41Å; F343-N447 HydrophobicContact CE1-CB 3.94Å; F343-N447 HydrophobicContact CE2-CB 3.11Å; F343-N447 HydrophobicContact CG-CB 3.96Å; F343-N447 HydrophobicContact CZ-CB 3.39Å; F343-N447 WeakPolarHBondContact CZ-ND2 3.37Å; H443-N447 PolarHBondContact O-N 3.33Å; H443-N447 PolarHBondContact O-ND2 3.47Å; I445-N447 VanDerWaalsContact C-N 3.34Å; I445-N447 PolarHBondContact O-N 3.25Å; N447-T449 PolarHBondContact O-N 3.04Å |
| 448 | V | 71.8 | Confident | 77.6 | Confident | 8 Ų | 8 | 44.8 Ų | 44.8 | 5% | 0.048 | 27% | 0.271 | C | S | . | . | trans | -65.7 | 135 | 175.6 | 173.4 | 0 | 0 | 0 | 0 | 109.6 | F343 L444 T450 L451 R492 | F343-V448 HydrophobicContact CB-CG2 3.71Å; F343-V448 HydrophobicContact CD1-CG2 3.77Å; F343-V448 HydrophobicContact CG-CG2 4.05Å; L444-V448 HydrophobicContact CD1-CG2 3.58Å; L444-V448 HydrophobicContact CG-CG2 3.9Å; L444-V448 VanDerWaalsContact O-CB 3.27Å; L444-V448 WeakPolarHBondContact O-CB 3.37Å; L444-V448 VanDerWaalsContact O-CG2 3.22Å; L444-V448 WeakPolarHBondContact O-CG2 3.49Å; L444-V448 PolarHBondContact O-N 2.97Å; V448-T450 VanDerWaalsContact CG1-C 3.4Å; V448-T450 WeakPolarHBondContact CG1-O 3.19Å; V448-L451 HydrophobicContact CG1-CB 3.93Å; V448-L451 HydrophobicContact CG1-CD1 4.33Å; V448-R492 VanDerWaalsContact O-CZ 3.25Å; V448-R492 PolarHBondContact O-NH1 3.21Å; V448-R492 PolarHBondContact O-NH2 2.86Å | ||
| 449 | T | 65.8 | Low | 77.1 | Confident | 123 Ų | 123 | 44.8 Ų | 44.8 | 76% | 0.755 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -89.4 | -40 | 172.9 | 50.3 | 0 | 0 | 0 | 0 | 112.6 | N447 R492 | N447-T449 PolarHBondContact O-N 3.04Å; T449-R492 PolarHBondContact O-NH2 3.05Å |
| 450 | T | 63.3 | Low | 76.6 | Confident | 119 Ų | 119 | 42.2 Ų | 42.2 | 73% | 0.73 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -138.8 | 121.5 | 174.9 | 52.3 | 0 | 0 | 0 | 0 | 110.4 | V448 | V448-T450 VanDerWaalsContact CG1-C 3.4Å; V448-T450 WeakPolarHBondContact CG1-O 3.19Å |
| 451 | L | 65.8 | Low | 76.2 | Confident | 39 Ų | 39 | 49.2 Ų | 49.2 | 20% | 0.204 | 28% | 0.284 | C | S | . | . | trans | -104.8 | 136.5 | 178.6 | -169.4 | 61.9 | 0 | 0 | 0 | 110.5 | A348 L444 V448 G453 A455 F489 | A348-L451 HydrophobicContact CB-CD1 4.04Å; L444-L451 HydrophobicContact CD1-CD1 4.37Å; L444-L451 HydrophobicContact CD2-CD1 4.34Å; L444-L451 HydrophobicContact CD2-CD2 3.91Å; V448-L451 HydrophobicContact CG1-CB 3.93Å; V448-L451 HydrophobicContact CG1-CD1 4.33Å; L451-G453 PolarHBondContact O-N 3.26Å; L451-A455 HydrophobicContact CD1-CB 4.27Å; L451-A455 HydrophobicContact CG-CB 4.35Å; L451-F489 HydrophobicContact CD2-CE1 4.42Å | ||
| 452 | N | 67.8 | Low | 76 | Confident | 102 Ų | 102 | 49.9 Ų | 49.9 | 55% | 0.545 | 29% | 0.289 | S | S | . | . | trans | -60.4 | 133.7 | 177.5 | -75.3 | -27.5 | 0 | 0 | 0 | 111.4 | S454 A455 S456 | N452-S454 PolarHBondContact O-N 3.44Å; N452-S454 VanDerWaalsContact O-N 3.1Å; N452-A455 WeakPolarHBondContact O-CA 3.44Å; N452-A455 WeakPolarHBondContact O-CB 3.29Å; N452-A455 PolarHBondContact O-N 2.9Å; N452-S456 PolarHBondContact O-N 3.36Å | ||
| 453 | G | 67.4 | Low | 75.9 | Confident | 45 Ų | 45 | 49.3 Ų | 49.3 | 46% | 0.464 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.7 | -26.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L451 S456 I457 | L451-G453 PolarHBondContact O-N 3.26Å; G453-S456 WeakPolarHBondContact CA-OG 3.36Å; G453-S456 PolarHBondContact O-OG 3.33Å; G453-I457 WeakPolarHBondContact O-CB 3.41Å; G453-I457 VanDerWaalsContact O-CD1 3.3Å; G453-I457 WeakPolarHBondContact O-CD1 3.37Å; G453-I457 WeakPolarHBondContact O-CG1 3.29Å; G453-I457 PolarHBondContact O-N 3.25Å |
| 454 | S | 72 | Confident | 75.7 | Confident | 97 Ų | 97 | 48.2 Ų | 48.2 | 68% | 0.678 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -70.3 | -42.8 | 171.8 | 48.4 | 0 | 0 | 0 | 0 | 112.2 | N452 A458 | N452-S454 PolarHBondContact O-N 3.44Å; N452-S454 VanDerWaalsContact O-N 3.1Å; S454-A458 WeakPolarHBondContact O-CB 3.29Å; S454-A458 PolarHBondContact O-N 3.35Å |
| 455 | A | 73.8 | Confident | 75.7 | Confident | 7 Ų | 7 | 52.8 Ų | 52.8 | 6% | 0.058 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.8 | -38.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | V352 L451 N452 A458 A459 | V352-A455 HydrophobicContact CG2-CB 4.33Å; L451-A455 HydrophobicContact CD1-CB 4.27Å; L451-A455 HydrophobicContact CG-CB 4.35Å; N452-A455 WeakPolarHBondContact O-CA 3.44Å; N452-A455 WeakPolarHBondContact O-CB 3.29Å; N452-A455 PolarHBondContact O-N 2.9Å; A455-A458 PolarHBondContact O-N 3.34Å; A455-A459 WeakPolarHBondContact O-CB 3.43Å; A455-A459 PolarHBondContact O-N 2.97Å |
| 456 | S | 74.9 | Confident | 76.1 | Confident | 10 Ų | 10 | 52.2 Ų | 52.2 | 7% | 0.07 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.4 | -42.1 | 174.6 | 67.4 | 0 | 0 | 0 | 0 | 111.9 | N452 G453 A458 A459 L460 | N452-S456 PolarHBondContact O-N 3.36Å; G453-S456 WeakPolarHBondContact CA-OG 3.36Å; G453-S456 PolarHBondContact O-OG 3.33Å; S456-A458 PolarHBondContact O-N 2.9Å; S456-A459 PolarHBondContact O-N 2.84Å; S456-L460 VanDerWaalsContact O-CB 3.29Å; S456-L460 WeakPolarHBondContact O-CB 3.49Å; S456-L460 VanDerWaalsContact O-CG 3.29Å; S456-L460 WeakPolarHBondContact O-CG 3.1Å; S456-L460 PolarHBondContact O-N 2.93Å |
| 457 | I | 76.9 | Confident | 76.2 | Confident | 64 Ų | 64 | 47.3 Ų | 47.3 | 33% | 0.328 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 174.4 | -70.6 | 169.2 | 0 | 0 | 0 | 111.6 | G453 R461 Y496 | G453-I457 WeakPolarHBondContact O-CB 3.41Å; G453-I457 VanDerWaalsContact O-CD1 3.3Å; G453-I457 WeakPolarHBondContact O-CD1 3.37Å; G453-I457 WeakPolarHBondContact O-CG1 3.29Å; G453-I457 PolarHBondContact O-N 3.25Å; I457-R461 VanDerWaalsContact O-CB 3.26Å; I457-R461 WeakPolarHBondContact O-CB 3.45Å; I457-R461 PolarHBondContact O-N 3.36Å; I457-Y496 HydrophobicContact CG1-CD2 4.42Å; I457-Y496 HydrophobicContact CG1-CE2 4.24Å |
| 458 | A | 78.8 | Confident | 76.4 | Confident | 28 Ų | 28 | 45 Ų | 45 | 23% | 0.231 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.3 | -47.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V352 M356 S454 A455 S456 R461 C462 | V352-A458 HydrophobicContact CG1-CB 3.96Å; M356-A458 HydrophobicContact SD-CB 4.22Å; S454-A458 WeakPolarHBondContact O-CB 3.29Å; S454-A458 PolarHBondContact O-N 3.35Å; A455-A458 PolarHBondContact O-N 3.34Å; S456-A458 PolarHBondContact O-N 2.9Å; A458-R461 PolarHBondContact O-N 3.16Å; A458-C462 WeakPolarHBondContact O-CB 3.45Å; A458-C462 PolarHBondContact O-N 3.25Å |
| 459 | A | 81.3 | Confident | 76.6 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V352 L441 A455 S456 C462 L463 F489 | V352-A459 HydrophobicContact CG1-CB 4.03Å; V352-A459 HydrophobicContact CG2-CB 4.14Å; L441-A459 HydrophobicContact CD2-CB 3.99Å; A455-A459 WeakPolarHBondContact O-CB 3.43Å; A455-A459 PolarHBondContact O-N 2.97Å; S456-A459 PolarHBondContact O-N 2.84Å; A459-C462 PolarHBondContact O-N 3.11Å; A459-L463 WeakPolarHBondContact O-CB 3.49Å; A459-L463 PolarHBondContact O-N 3.48Å; A459-F489 HydrophobicContact CB-CE2 4.17Å; A459-F489 HydrophobicContact CB-CZ 3.82Å |
| 460 | L | 81.2 | Confident | 76.6 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.6 | -48.6 | 175.8 | -79.4 | 166.8 | 0 | 0 | 0 | 111.8 | S456 C462 L463 I464 L486 F489 L490 Y496 | S456-L460 VanDerWaalsContact O-CB 3.29Å; S456-L460 WeakPolarHBondContact O-CB 3.49Å; S456-L460 VanDerWaalsContact O-CG 3.29Å; S456-L460 WeakPolarHBondContact O-CG 3.1Å; S456-L460 PolarHBondContact O-N 2.93Å; L460-C462 PolarHBondContact O-N 3.43Å; L460-L463 PolarHBondContact O-N 3.29Å; L460-I464 VanDerWaalsContact O-CB 3.23Å; L460-I464 WeakPolarHBondContact O-CB 3.03Å; L460-I464 WeakPolarHBondContact O-CD1 3.44Å; L460-I464 WeakPolarHBondContact O-CG1 3.33Å; L460-I464 PolarHBondContact O-N 2.96Å; L460-L486 HydrophobicContact CD2-CD1 4.28Å; L460-F489 HydrophobicContact CD2-CB 3.79Å; L460-F489 HydrophobicContact CD2-CD1 4.22Å; L460-F489 HydrophobicContact CD2-CG 3.97Å; L460-F489 HydrophobicContact CG-CD1 4.36Å; L460-L490 HydrophobicContact CD2-CD2 3.79Å; L460-L490 HydrophobicContact CD2-CG 4.39Å; L460-Y496 HydrophobicContact CB-CE2 4.21Å; L460-Y496 HydrophobicContact CD1-CD1 4.38Å; L460-Y496 HydrophobicContact CD1-CD2 3.53Å; L460-Y496 HydrophobicContact CD1-CE2 4.01Å; L460-Y496 HydrophobicContact CD1-CG 3.74Å |
| 461 | R | 81.5 | Confident | 76.6 | Confident | 148 Ų | 148 | 48.1 Ų | 48.1 | 56% | 0.558 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -60.2 | -43.6 | 179.2 | -178.2 | 179.4 | -65.7 | 166.3 | -0.1 | 112.1 | I457 A458 N465 | I457-R461 VanDerWaalsContact O-CB 3.26Å; I457-R461 WeakPolarHBondContact O-CB 3.45Å; I457-R461 PolarHBondContact O-N 3.36Å; A458-R461 PolarHBondContact O-N 3.16Å; R461-N465 WeakPolarHBondContact O-CB 3.44Å; R461-N465 VanDerWaalsContact O-CG 3.23Å; R461-N465 PolarHBondContact O-N 3.3Å; R461-N465 PolarHBondContact O-OD1 3.47Å |
| 462 | C | 81.8 | Confident | 76.6 | Confident | 19 Ų | 19 | 49.9 Ų | 49.9 | 13% | 0.128 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.7 | -49.3 | 177.8 | -179 | 0 | 0 | 0 | 0 | 111.7 | M356 A458 A459 L460 I464 N465 F466 | M356-C462 HydrophobicContact CG-CB 3.77Å; M356-C462 HydrophobicContact SD-CB 4.23Å; A458-C462 WeakPolarHBondContact O-CB 3.45Å; A458-C462 PolarHBondContact O-N 3.25Å; A459-C462 PolarHBondContact O-N 3.11Å; L460-C462 PolarHBondContact O-N 3.43Å; C462-I464 PolarHBondContact O-N 3.39Å; C462-N465 PolarHBondContact O-N 2.95Å; C462-F466 PolarHBondContact O-N 2.99Å |
| 463 | L | 85.6 | Confident | 76.2 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63 | -39.8 | 179.2 | -170.9 | 73.7 | 0 | 0 | 0 | 112.5 | L438 L441 A459 L460 A467 A482 I485 L486 F489 | L438-L463 HydrophobicContact CD2-CD1 3.51Å; L441-L463 HydrophobicContact CD1-CB 4.34Å; L441-L463 HydrophobicContact CD1-CD1 4Å; A459-L463 WeakPolarHBondContact O-CB 3.49Å; A459-L463 PolarHBondContact O-N 3.48Å; L460-L463 PolarHBondContact O-N 3.29Å; L463-A467 VanDerWaalsContact O-CB 3.31Å; L463-A467 WeakPolarHBondContact O-CB 3.4Å; L463-A467 PolarHBondContact O-N 3.01Å; L463-A482 HydrophobicContact CD1-CB 4.07Å; L463-I485 HydrophobicContact CD1-CG2 4.11Å; L463-I485 HydrophobicContact CD2-CB 4.37Å; L463-I485 HydrophobicContact CD2-CG2 3.77Å; L463-L486 HydrophobicContact CD2-CB 3.81Å; L463-L486 HydrophobicContact CD2-CD1 4.04Å; L463-L486 HydrophobicContact CG-CB 4.43Å; L463-F489 HydrophobicContact CD2-CD2 3.98Å |
| 464 | I | 82.9 | Confident | 76.3 | Confident | 9 Ų | 9 | 55.1 Ų | 55.1 | 5% | 0.046 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.4 | -48.3 | 174.1 | -76.9 | 168 | 0 | 0 | 0 | 110.7 | L460 C462 F466 A467 Y468 L486 Y496 | L460-I464 VanDerWaalsContact O-CB 3.23Å; L460-I464 WeakPolarHBondContact O-CB 3.03Å; L460-I464 WeakPolarHBondContact O-CD1 3.44Å; L460-I464 WeakPolarHBondContact O-CG1 3.33Å; L460-I464 PolarHBondContact O-N 2.96Å; C462-I464 PolarHBondContact O-N 3.39Å; I464-F466 PolarHBondContact O-N 3.33Å; I464-A467 PolarHBondContact O-N 3.31Å; I464-Y468 HydrophobicContact CG2-CD2 3.86Å; I464-Y468 HydrophobicContact CG2-CE2 3.97Å; I464-Y468 WeakPolarHBondContact O-CD2 3.04Å; I464-Y468 PolarHBondContact O-N 2.82Å; I464-L486 HydrophobicContact CD1-CD1 4.44Å; I464-L486 HydrophobicContact CG1-CD1 3.8Å; I464-L486 HydrophobicContact CG1-CD2 4.44Å; I464-Y496 HydrophobicContact CD1-CE1 3.69Å |
| 465 | N | 82.9 | Confident | 76.5 | Confident | 97 Ų | 97 | 51 Ų | 51 | 52% | 0.519 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.3 | -49.5 | 178.9 | -74.7 | -3.7 | 0 | 0 | 0 | 111 | R461 C462 Y468 E469 | R461-N465 WeakPolarHBondContact O-CB 3.44Å; R461-N465 VanDerWaalsContact O-CG 3.23Å; R461-N465 PolarHBondContact O-N 3.3Å; R461-N465 PolarHBondContact O-OD1 3.47Å; C462-N465 PolarHBondContact O-N 2.95Å; N465-Y468 PolarHBondContact O-N 2.81Å; N465-E469 PolarHBondContact O-N 2.85Å; N465-E469 VanDerWaalsContact O-N 3.11Å |
| 466 | F | 86.9 | Confident | 76.8 | Confident | 6 Ų | 6 | 51.3 Ų | 51.3 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.4 | -43.2 | -179.9 | 179.9 | -99.7 | 0 | 0 | 0 | 113.4 | L359 T434 L438 C462 I464 Y468 E469 L475 V478 R479 A482 | L359-F466 HydrophobicContact CD2-CD1 4.19Å; L359-F466 HydrophobicContact CD2-CD2 4.17Å; L359-F466 HydrophobicContact CD2-CE1 4.34Å; L359-F466 HydrophobicContact CD2-CE2 4.31Å; L359-F466 HydrophobicContact CD2-CG 4.11Å; L359-F466 HydrophobicContact CD2-CZ 4.39Å; T434-F466 HydrophobicContact CG2-CD2 4.46Å; T434-F466 HydrophobicContact CG2-CE2 3.57Å; T434-F466 HydrophobicContact CG2-CZ 4.02Å; L438-F466 HydrophobicContact CD1-CE1 4.32Å; C462-F466 PolarHBondContact O-N 2.99Å; I464-F466 PolarHBondContact O-N 3.33Å; F466-Y468 VanDerWaalsContact C-N 3.35Å; F466-Y468 PolarHBondContact O-N 3.04Å; F466-E469 PolarHBondContact O-N 2.87Å; F466-L475 HydrophobicContact CE2-CD2 3.92Å; F466-L475 HydrophobicContact CZ-CD2 3.99Å; F466-L475 HydrophobicContact CZ-CG 4.32Å; F466-V478 HydrophobicContact CE1-CG1 4.02Å; F466-V478 HydrophobicContact CZ-CB 4.49Å; F466-V478 HydrophobicContact CZ-CG1 3.86Å; F466-R479 HydrophobicContact CE1-CG 4.02Å; F466-R479 HydrophobicContact CZ-CG 4.24Å; F466-A482 HydrophobicContact CD1-CB 3.75Å; F466-A482 HydrophobicContact CE1-CB 3.99Å |
| 467 | A | 83.9 | Confident | 77.3 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 180 | 0 | 0 | 0 | 0 | 0 | 112.2 | L463 I464 R479 A482 F483 | L463-A467 VanDerWaalsContact O-CB 3.31Å; L463-A467 WeakPolarHBondContact O-CB 3.4Å; L463-A467 PolarHBondContact O-N 3.01Å; I464-A467 PolarHBondContact O-N 3.31Å; A467-R479 PolarHBondContact O-NE 3.12Å; A467-R479 PolarHBondContact O-NH2 2.86Å; A467-A482 HydrophobicContact CB-CB 4.17Å; A467-F483 HydrophobicContact CB-CD1 4.42Å; A467-F483 HydrophobicContact CB-CD2 4.3Å; A467-F483 HydrophobicContact CB-CE1 4.2Å; A467-F483 HydrophobicContact CB-CE2 4.07Å; A467-F483 HydrophobicContact CB-CG 4.46Å; A467-F483 HydrophobicContact CB-CZ 4.01Å |
| 468 | Y | 78.8 | Confident | 77.7 | Confident | 22 Ų | 22 | 54.5 Ų | 54.5 | 9% | 0.086 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -0.6 | 179.4 | -66.8 | -61 | 0 | 0 | 0 | 114.9 | I464 N465 F466 R470 F483 Q503 R506 L507 V510 | I464-Y468 HydrophobicContact CG2-CD2 3.86Å; I464-Y468 HydrophobicContact CG2-CE2 3.97Å; I464-Y468 WeakPolarHBondContact O-CD2 3.04Å; I464-Y468 PolarHBondContact O-N 2.82Å; N465-Y468 PolarHBondContact O-N 2.81Å; F466-Y468 VanDerWaalsContact C-N 3.35Å; F466-Y468 PolarHBondContact O-N 3.04Å; Y468-R470 PolarHBondContact O-N 2.69Å; Y468-F483 HydrophobicContact CD1-CE1 4.49Å; Y468-F483 HydrophobicContact CD1-CZ 4.03Å; Y468-F483 HydrophobicContact CE1-CE1 4.08Å; Y468-F483 HydrophobicContact CE1-CZ 4.01Å; Y468-Q503 PolarHBondContact OH-O 2.69Å; Y468-R506 HydrophobicContact CD1-CG 4.05Å; Y468-R506 VanDerWaalsContact CD2-CZ 3.46Å; Y468-R506 HydrophobicContact CE1-CB 4.21Å; Y468-R506 HydrophobicContact CE1-CG 3.63Å; Y468-R506 HydrophobicContact CE2-CG 4.18Å; Y468-R506 HydrophobicContact CG-CG 4.49Å; Y468-L507 WeakPolarHBondContact OH-CG 3.35Å; Y468-L507 PolarHBondContact OH-N 3.46Å; Y468-V510 HydrophobicContact CD1-CG2 3.98Å; Y468-V510 HydrophobicContact CE1-CG2 3.85Å |
| 469 | E | 76.4 | Confident | 78 | Confident | 66 Ų | 66 | 54 Ų | 54 | 31% | 0.308 | 25% | 0.253 | S | S | . | . | trans | -71.5 | 118.1 | -177.1 | -162.1 | -178 | 160.2 | 0 | 0 | 111.6 | N465 F466 T471 R479 | N465-E469 PolarHBondContact O-N 2.85Å; N465-E469 VanDerWaalsContact O-N 3.11Å; F466-E469 PolarHBondContact O-N 2.87Å; E469-T471 HydrophobicContact CB-CG2 4.22Å; E469-T471 HydrophobicContact CG-CG2 3.95Å; E469-T471 PolarHBondContact O-N 2.8Å; E469-T471 PolarHBondContact O-OG1 3.34Å; E469-R479 PolarHBondContact O-NE 2.84Å; E469-R479 VanDerWaalsContact O-NE 3.14Å; E469-R479 PolarHBondContact O-NH1 2.99Å; E469-R479 VanDerWaalsContact O-NH1 3.16Å; E469-R479 PolarHBondContact O-NH2 3.19Å | ||
| 470 | R | 64.4 | Low | 78.3 | Confident | 210 Ų | 210 | 54.7 Ų | 54.7 | 79% | 0.792 | 26% | 0.258 | S | S | * | . | trans | -68.9 | 92.7 | 177.3 | -72.8 | -174.1 | 179.3 | 164.6 | -1 | 110.3 | Y468 E513 | Y468-R470 PolarHBondContact O-N 2.69Å; R470-E513 IonicContact CZ-OE1 3.08Å; R470-E513 IonicContact NE-OE1 2.62Å; R470-E513 IonicContact NH2-OE1 3.96Å; R470-E513 PolarHBondContact NH2-OE1 3.24Å | ||
| 471 | T | 63.8 | Low | 78.7 | Confident | 39 Ų | 39 | 57.8 Ų | 57.8 | 24% | 0.239 | 27% | 0.27 | C | S | . | . | trans | -116.2 | 160.8 | -174.3 | 38.8 | 0 | 0 | 0 | 0 | 110.9 | E469 L475 R479 | E469-T471 HydrophobicContact CB-CG2 4.22Å; E469-T471 HydrophobicContact CG-CG2 3.95Å; E469-T471 PolarHBondContact O-N 2.8Å; E469-T471 PolarHBondContact O-OG1 3.34Å; T471-L475 HydrophobicContact CG2-CD2 4.14Å; T471-R479 WeakPolarHBondContact OG1-CD 3.31Å; T471-R479 PolarHBondContact OG1-NH1 3.45Å | ||
| 472 | S | 64.9 | Low | 79.1 | Confident | 77 Ų | 77 | 50.7 Ų | 50.7 | 54% | 0.538 | 24% | 0.243 | S | C | . | . | trans | -59.8 | 148.9 | 176.8 | 53.1 | 0 | 0 | 0 | 0 | 113.4 | E474 L475 | S472-E474 PolarHBondContact O-N 3.05Å; S472-L475 PolarHBondContact O-N 3.07Å | ||
| 473 | D | 61.1 | Low | 79.4 | Confident | 134 Ų | 134 | 49.8 Ų | 49.8 | 72% | 0.717 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -49.8 | -32.7 | -172.9 | -58.8 | -40.2 | 0 | 0 | 0 | 115 | L475 T476 | D473-L475 PolarHBondContact O-N 3.37Å; D473-T476 VanDerWaalsContact O-CB 3.23Å; D473-T476 WeakPolarHBondContact O-CB 3.11Å; D473-T476 PolarHBondContact O-N 3.32Å; D473-T476 PolarHBondContact O-OG1 3.11Å |
| 474 | E | 68.6 | Low | 79.4 | Confident | 122 Ų | 122 | 53.3 Ų | 53.3 | 57% | 0.57 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -54.9 | -23.4 | 177.7 | -69.3 | -169.8 | -141.7 | 0 | 0 | 114.7 | V427 S472 | V427-E474 VanDerWaalsContact CB-OE2 3.29Å; V427-E474 WeakPolarHBondContact CB-OE2 3.38Å; V427-E474 HydrophobicContact CG1-CB 3.92Å; V427-E474 WeakPolarHBondContact CG1-OE2 3.1Å; S472-E474 PolarHBondContact O-N 3.05Å |
| 475 | L | 76.1 | Confident | 79.7 | Confident | 10 Ų | 10 | 52.9 Ų | 52.9 | 5% | 0.052 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -95.6 | -1.7 | -179.8 | -157.3 | 63.5 | 0 | 0 | 0 | 113.7 | R431 F466 T471 S472 D473 Y477 V478 R479 | R431-L475 HydrophobicContact CB-CD1 4.42Å; F466-L475 HydrophobicContact CE2-CD2 3.92Å; F466-L475 HydrophobicContact CZ-CD2 3.99Å; F466-L475 HydrophobicContact CZ-CG 4.32Å; T471-L475 HydrophobicContact CG2-CD2 4.14Å; S472-L475 PolarHBondContact O-N 3.07Å; D473-L475 PolarHBondContact O-N 3.37Å; L475-Y477 PolarHBondContact O-N 2.96Å; L475-V478 HydrophobicContact CD1-CB 3.87Å; L475-V478 HydrophobicContact CD1-CG1 4.37Å; L475-V478 HydrophobicContact CD1-CG2 3.86Å; L475-V478 HydrophobicContact CG-CB 4.24Å; L475-V478 PolarHBondContact O-N 3.44Å; L475-R479 PolarHBondContact O-N 3.09Å |
| 476 | T | 81.3 | Confident | 79.9 | Confident | 15 Ų | 15 | 48.4 Ų | 48.4 | 9% | 0.092 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -48.8 | -50.7 | -175.9 | -64.9 | 0 | 0 | 0 | 0 | 113.1 | D473 V478 R479 A480 P516 E518 | D473-T476 VanDerWaalsContact O-CB 3.23Å; D473-T476 WeakPolarHBondContact O-CB 3.11Å; D473-T476 PolarHBondContact O-N 3.32Å; D473-T476 PolarHBondContact O-OG1 3.11Å; T476-V478 VanDerWaalsContact C-N 3.32Å; T476-V478 PolarHBondContact O-N 2.88Å; T476-R479 PolarHBondContact O-N 2.87Å; T476-A480 PolarHBondContact O-N 2.99Å; T476-P516 HydrophobicContact CG2-CB 4.05Å; T476-P516 HydrophobicContact CG2-CG 3.48Å; T476-P516 VanDerWaalsContact CG2-CG 3.48Å; T476-E518 HydrophobicContact CG2-CB 4.39Å |
| 477 | Y | 83.5 | Confident | 79.8 | Confident | 139 Ų | 139 | 48.2 Ų | 48.2 | 55% | 0.545 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.6 | -39.5 | -179.1 | -178.7 | -96.4 | 0 | 0 | 0 | 112.8 | L475 A480 R481 | L475-Y477 PolarHBondContact O-N 2.96Å; Y477-A480 PolarHBondContact O-N 2.96Å; Y477-R481 PolarHBondContact O-N 3.42Å |
| 478 | V | 86.4 | Confident | 79.9 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.6 | -35.8 | 179.6 | -170.2 | 0 | 0 | 0 | 0 | 110.4 | R431 E435 L438 F466 L475 T476 R481 A482 | R431-V478 HydrophobicContact CG-CG2 4.04Å; E435-V478 HydrophobicContact CG-CG1 4.29Å; E435-V478 HydrophobicContact CG-CG2 3.91Å; L438-V478 HydrophobicContact CD1-CG1 3.63Å; L438-V478 VanDerWaalsContact CD1-O 3.29Å; L438-V478 WeakPolarHBondContact CD1-O 3.42Å; F466-V478 HydrophobicContact CE1-CG1 4.02Å; F466-V478 HydrophobicContact CZ-CB 4.49Å; F466-V478 HydrophobicContact CZ-CG1 3.86Å; L475-V478 HydrophobicContact CD1-CB 3.87Å; L475-V478 HydrophobicContact CD1-CG1 4.37Å; L475-V478 HydrophobicContact CD1-CG2 3.86Å; L475-V478 HydrophobicContact CG-CB 4.24Å; L475-V478 PolarHBondContact O-N 3.44Å; T476-V478 VanDerWaalsContact C-N 3.32Å; T476-V478 PolarHBondContact O-N 2.88Å; V478-R481 WeakPolarHBondContact O-CB 3.5Å; V478-R481 PolarHBondContact O-N 2.96Å; V478-A482 PolarHBondContact O-N 3.44Å |
| 479 | R | 85.9 | Confident | 80.1 | Confident | 18 Ų | 18 | 50.3 Ų | 50.3 | 7% | 0.068 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -72.1 | -35.3 | 173.8 | -72.7 | 176.8 | 57.3 | -140.6 | -4.7 | 113.1 | F466 A467 E469 T471 L475 T476 R481 A482 F483 L519 | F466-R479 HydrophobicContact CE1-CG 4.02Å; F466-R479 HydrophobicContact CZ-CG 4.24Å; A467-R479 PolarHBondContact O-NE 3.12Å; A467-R479 PolarHBondContact O-NH2 2.86Å; E469-R479 PolarHBondContact O-NE 2.84Å; E469-R479 VanDerWaalsContact O-NE 3.14Å; E469-R479 PolarHBondContact O-NH1 2.99Å; E469-R479 VanDerWaalsContact O-NH1 3.16Å; E469-R479 PolarHBondContact O-NH2 3.19Å; T471-R479 WeakPolarHBondContact OG1-CD 3.31Å; T471-R479 PolarHBondContact OG1-NH1 3.45Å; L475-R479 PolarHBondContact O-N 3.09Å; T476-R479 PolarHBondContact O-N 2.87Å; R479-R481 VanDerWaalsContact C-N 3.34Å; R479-A482 WeakPolarHBondContact O-CB 3.4Å; R479-A482 PolarHBondContact O-N 3.15Å; R479-A482 VanDerWaalsContact O-N 3.15Å; R479-F483 WeakPolarHBondContact O-CD2 3.31Å; R479-F483 PolarHBondContact O-N 3.13Å; R479-L519 HydrophobicContact CB-CD1 3.8Å |
| 480 | A | 87 | Confident | 80.1 | Confident | 14 Ų | 14 | 47.4 Ų | 47.4 | 12% | 0.116 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.8 | -43.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T476 Y477 A482 F483 E484 L519 A522 | T476-A480 PolarHBondContact O-N 2.99Å; Y477-A480 PolarHBondContact O-N 2.96Å; A480-A482 VanDerWaalsContact C-N 3.32Å; A480-A482 PolarHBondContact O-N 3Å; A480-F483 PolarHBondContact O-N 3.03Å; A480-E484 PolarHBondContact O-N 3.14Å; A480-E484 VanDerWaalsContact O-N 3.08Å; A480-L519 HydrophobicContact CB-CD1 4.37Å; A480-A522 HydrophobicContact CB-CB 3.92Å |
| 481 | R | 89.1 | Confident | 80.6 | Confident | 67 Ų | 67 | 39.2 Ų | 39.2 | 25% | 0.253 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.1 | -35.9 | 171.7 | -166.1 | -178.9 | -174.2 | -138.5 | 0.7 | 112.5 | L438 D439 Y477 V478 R479 E484 I485 | L438-R481 HydrophobicContact CD1-CB 4.19Å; L438-R481 HydrophobicContact CD1-CG 4.32Å; D439-R481 IonicContact OD1-CZ 3.38Å; D439-R481 IonicContact OD1-NH1 2.94Å; D439-R481 PolarHBondContact OD1-NH1 3.32Å; D439-R481 IonicContact OD1-NH2 2.79Å; D439-R481 PolarHBondContact OD1-NH2 2.57Å; Y477-R481 PolarHBondContact O-N 3.42Å; V478-R481 WeakPolarHBondContact O-CB 3.5Å; V478-R481 PolarHBondContact O-N 2.96Å; R479-R481 VanDerWaalsContact C-N 3.34Å; R481-E484 PolarHBondContact O-N 2.7Å; R481-I485 HydrophobicContact CG-CD1 4.18Å; R481-I485 VanDerWaalsContact O-CG1 3.31Å; R481-I485 WeakPolarHBondContact O-CG1 3.38Å; R481-I485 PolarHBondContact O-N 2.7Å |
| 482 | A | 89.5 | Confident | 81.2 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.9 | -40.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L438 L463 F466 A467 V478 R479 A480 E484 I485 L486 | L438-A482 HydrophobicContact CD1-CB 4.13Å; L438-A482 HydrophobicContact CD2-CB 4.05Å; L463-A482 HydrophobicContact CD1-CB 4.07Å; F466-A482 HydrophobicContact CD1-CB 3.75Å; F466-A482 HydrophobicContact CE1-CB 3.99Å; A467-A482 HydrophobicContact CB-CB 4.17Å; V478-A482 PolarHBondContact O-N 3.44Å; R479-A482 WeakPolarHBondContact O-CB 3.4Å; R479-A482 PolarHBondContact O-N 3.15Å; R479-A482 VanDerWaalsContact O-N 3.15Å; A480-A482 VanDerWaalsContact C-N 3.32Å; A480-A482 PolarHBondContact O-N 3Å; A482-E484 VanDerWaalsContact C-N 3.34Å; A482-I485 PolarHBondContact O-N 3.15Å; A482-L486 VanDerWaalsContact O-CB 3.26Å; A482-L486 WeakPolarHBondContact O-CB 3.2Å; A482-L486 PolarHBondContact O-N 2.85Å |
| 483 | F | 88.7 | Confident | 81.5 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.9 | -36.6 | 172.1 | -82.8 | -69.7 | 0 | 0 | 0 | 112.8 | A467 Y468 R479 A480 L486 S487 L507 V510 L519 A522 | A467-F483 HydrophobicContact CB-CD1 4.42Å; A467-F483 HydrophobicContact CB-CD2 4.3Å; A467-F483 HydrophobicContact CB-CE1 4.2Å; A467-F483 HydrophobicContact CB-CE2 4.07Å; A467-F483 HydrophobicContact CB-CG 4.46Å; A467-F483 HydrophobicContact CB-CZ 4.01Å; Y468-F483 HydrophobicContact CD1-CE1 4.49Å; Y468-F483 HydrophobicContact CD1-CZ 4.03Å; Y468-F483 HydrophobicContact CE1-CE1 4.08Å; Y468-F483 HydrophobicContact CE1-CZ 4.01Å; R479-F483 WeakPolarHBondContact O-CD2 3.31Å; R479-F483 PolarHBondContact O-N 3.13Å; A480-F483 PolarHBondContact O-N 3.03Å; F483-L486 HydrophobicContact CD1-CD2 4.21Å; F483-L486 HydrophobicContact CE1-CD2 4.49Å; F483-L486 PolarHBondContact O-N 3.37Å; F483-S487 PolarHBondContact O-N 3.44Å; F483-L507 HydrophobicContact CD1-CD2 3.92Å; F483-L507 HydrophobicContact CE1-CD2 3.73Å; F483-V510 HydrophobicContact CZ-CG1 4.47Å; F483-V510 HydrophobicContact CZ-CG2 4.27Å; F483-L519 HydrophobicContact CD2-CD1 3.73Å; F483-L519 HydrophobicContact CD2-CG 4.4Å; F483-L519 HydrophobicContact CE2-CD1 3.79Å; F483-L519 HydrophobicContact CE2-CG 4.15Å; F483-A522 HydrophobicContact CB-CB 4.02Å |
| 484 | E | 86.3 | Confident | 81.7 | Confident | 74 Ų | 74 | 36.4 Ų | 36.4 | 35% | 0.346 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.9 | -46.4 | 175.6 | -165.8 | -115.3 | 114.5 | 0 | 0 | 111.4 | A480 R481 A482 L486 S487 R488 | A480-E484 PolarHBondContact O-N 3.14Å; A480-E484 VanDerWaalsContact O-N 3.08Å; R481-E484 PolarHBondContact O-N 2.7Å; A482-E484 VanDerWaalsContact C-N 3.34Å; E484-L486 PolarHBondContact O-N 3.01Å; E484-S487 WeakPolarHBondContact O-CB 3.24Å; E484-S487 PolarHBondContact O-N 3.4Å; E484-S487 PolarHBondContact O-OG 3.1Å; E484-R488 PolarHBondContact O-N 2.87Å; E484-R488 IonicContact OE1-CZ 2.72Å; E484-R488 IonicContact OE1-NE 3.24Å; E484-R488 PolarHBondContact OE1-NE 3.19Å; E484-R488 IonicContact OE1-NH2 3.34Å; E484-R488 PolarHBondContact OE1-NH2 3.41Å; E484-R488 IonicContact OE2-NH2 3.44Å |
| 485 | I | 89 | Confident | 81.7 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.8 | -39.5 | 173.3 | -68.3 | 169 | 0 | 0 | 0 | 111.3 | L438 I445 L463 R481 A482 S487 R488 F489 | L438-I485 HydrophobicContact CB-CD1 3.8Å; L438-I485 HydrophobicContact CD1-CD1 4.34Å; L438-I485 HydrophobicContact CD2-CD1 4.13Å; L438-I485 HydrophobicContact CG-CD1 4.31Å; I445-I485 HydrophobicContact CD1-CG2 3.51Å; L463-I485 HydrophobicContact CD1-CG2 4.11Å; L463-I485 HydrophobicContact CD2-CB 4.37Å; L463-I485 HydrophobicContact CD2-CG2 3.77Å; R481-I485 HydrophobicContact CG-CD1 4.18Å; R481-I485 VanDerWaalsContact O-CG1 3.31Å; R481-I485 WeakPolarHBondContact O-CG1 3.38Å; R481-I485 PolarHBondContact O-N 2.7Å; A482-I485 PolarHBondContact O-N 3.15Å; I485-S487 VanDerWaalsContact C-N 3.33Å; I485-S487 PolarHBondContact O-N 3.48Å; I485-R488 WeakPolarHBondContact O-CB 3.35Å; I485-R488 PolarHBondContact O-N 3.21Å; I485-R488 VanDerWaalsContact O-N 3.13Å; I485-F489 PolarHBondContact O-N 2.94Å |
| 486 | L | 86.5 | Confident | 81.3 | Confident | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.2 | -40.9 | 176.4 | -178.8 | 64.9 | 0 | 0 | 0 | 111 | L460 L463 I464 A482 F483 E484 R488 F489 L490 | L460-L486 HydrophobicContact CD2-CD1 4.28Å; L463-L486 HydrophobicContact CD2-CB 3.81Å; L463-L486 HydrophobicContact CD2-CD1 4.04Å; L463-L486 HydrophobicContact CG-CB 4.43Å; I464-L486 HydrophobicContact CD1-CD1 4.44Å; I464-L486 HydrophobicContact CG1-CD1 3.8Å; I464-L486 HydrophobicContact CG1-CD2 4.44Å; A482-L486 VanDerWaalsContact O-CB 3.26Å; A482-L486 WeakPolarHBondContact O-CB 3.2Å; A482-L486 PolarHBondContact O-N 2.85Å; F483-L486 HydrophobicContact CD1-CD2 4.21Å; F483-L486 HydrophobicContact CE1-CD2 4.49Å; F483-L486 PolarHBondContact O-N 3.37Å; E484-L486 PolarHBondContact O-N 3.01Å; L486-R488 VanDerWaalsContact C-N 3.27Å; L486-R488 PolarHBondContact O-N 2.64Å; L486-F489 PolarHBondContact O-N 3.03Å; L486-L490 HydrophobicContact CD1-CD1 3.81Å; L486-L490 HydrophobicContact CD1-CD2 4.46Å; L486-L490 HydrophobicContact CD1-CG 3.88Å; L486-L490 HydrophobicContact CD2-CD1 4.39Å; L486-L490 HydrophobicContact CG-CD1 3.78Å; L486-L490 HydrophobicContact CG-CG 4.21Å; L486-L490 WeakPolarHBondContact O-CB 3.34Å; L486-L490 WeakPolarHBondContact O-CG 3.21Å; L486-L490 PolarHBondContact O-N 2.92Å |
| 487 | S | 84.1 | Confident | 80.3 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.007 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.1 | -33.6 | 175.1 | 85.1 | 0 | 0 | 0 | 0 | 112.8 | F483 E484 I485 A491 | F483-S487 PolarHBondContact O-N 3.44Å; E484-S487 WeakPolarHBondContact O-CB 3.24Å; E484-S487 PolarHBondContact O-N 3.4Å; E484-S487 PolarHBondContact O-OG 3.1Å; I485-S487 VanDerWaalsContact C-N 3.33Å; I485-S487 PolarHBondContact O-N 3.48Å; S487-A491 WeakPolarHBondContact O-CB 3.38Å; S487-A491 PolarHBondContact O-N 3.06Å |
| 488 | R | 85.8 | Confident | 79.3 | Confident | 57 Ų | 57 | 30.3 Ų | 30.3 | 22% | 0.215 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -72.8 | -41.3 | 175.1 | -68.9 | -169.6 | -100.2 | 135.6 | -7.3 | 111.8 | S442 I445 N446 E484 I485 L486 R492 | S442-R488 PolarHBondContact OG-NH1 2.93Å; I445-R488 HydrophobicContact CG2-CB 4.36Å; N446-R488 PolarHBondContact OD1-NH1 3.34Å; E484-R488 PolarHBondContact O-N 2.87Å; E484-R488 IonicContact OE1-CZ 2.72Å; E484-R488 IonicContact OE1-NE 3.24Å; E484-R488 PolarHBondContact OE1-NE 3.19Å; E484-R488 IonicContact OE1-NH2 3.34Å; E484-R488 PolarHBondContact OE1-NH2 3.41Å; E484-R488 IonicContact OE2-NH2 3.44Å; I485-R488 WeakPolarHBondContact O-CB 3.35Å; I485-R488 PolarHBondContact O-N 3.21Å; I485-R488 VanDerWaalsContact O-N 3.13Å; L486-R488 VanDerWaalsContact C-N 3.27Å; L486-R488 PolarHBondContact O-N 2.64Å; R488-R492 PolarHBondContact O-N 3.22Å |
| 489 | F | 83.5 | Confident | 78.3 | Confident | 10 Ų | 10 | 38.4 Ų | 38.4 | 4% | 0.044 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.5 | -50.4 | 176.2 | -115.1 | -51.7 | 0 | 0 | 0 | 112.4 | I445 L451 A459 L460 L463 I485 L486 R492 D493 | I445-F489 HydrophobicContact CD1-CD2 3.33Å; I445-F489 HydrophobicContact CD1-CE2 3.51Å; I445-F489 HydrophobicContact CD1-CG 3.94Å; I445-F489 HydrophobicContact CD1-CZ 4.24Å; I445-F489 HydrophobicContact CG1-CD1 4.26Å; I445-F489 HydrophobicContact CG1-CD2 3.69Å; I445-F489 HydrophobicContact CG1-CE1 4.09Å; I445-F489 HydrophobicContact CG1-CE2 3.5Å; I445-F489 VanDerWaalsContact CG1-CE2 3.5Å; I445-F489 HydrophobicContact CG1-CG 4.06Å; I445-F489 HydrophobicContact CG1-CZ 3.71Å; L451-F489 HydrophobicContact CD2-CE1 4.42Å; A459-F489 HydrophobicContact CB-CE2 4.17Å; A459-F489 HydrophobicContact CB-CZ 3.82Å; L460-F489 HydrophobicContact CD2-CB 3.79Å; L460-F489 HydrophobicContact CD2-CD1 4.22Å; L460-F489 HydrophobicContact CD2-CG 3.97Å; L460-F489 HydrophobicContact CG-CD1 4.36Å; L463-F489 HydrophobicContact CD2-CD2 3.98Å; I485-F489 PolarHBondContact O-N 2.94Å; L486-F489 PolarHBondContact O-N 3.03Å; F489-R492 WeakPolarHBondContact O-CB 3.49Å; F489-R492 PolarHBondContact O-N 3.27Å; F489-R492 VanDerWaalsContact O-N 3.16Å; F489-D493 PolarHBondContact O-N 3.05Å; F489-D493 VanDerWaalsContact O-N 3.11Å |
| 490 | L | 77.7 | Confident | 77.3 | Confident | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -72.7 | -28.2 | -176.5 | -66.2 | 178.1 | 0 | 0 | 0 | 113.4 | L460 L486 R492 D493 P494 Y496 L497 L530 | L460-L490 HydrophobicContact CD2-CD2 3.79Å; L460-L490 HydrophobicContact CD2-CG 4.39Å; L486-L490 HydrophobicContact CD1-CD1 3.81Å; L486-L490 HydrophobicContact CD1-CD2 4.46Å; L486-L490 HydrophobicContact CD1-CG 3.88Å; L486-L490 HydrophobicContact CD2-CD1 4.39Å; L486-L490 HydrophobicContact CG-CD1 3.78Å; L486-L490 HydrophobicContact CG-CG 4.21Å; L486-L490 WeakPolarHBondContact O-CB 3.34Å; L486-L490 WeakPolarHBondContact O-CG 3.21Å; L486-L490 PolarHBondContact O-N 2.92Å; L490-R492 PolarHBondContact O-N 3.26Å; L490-D493 CarbonylContact O-C 3.59Å; L490-P494 WeakPolarHBondContact O-CA 3.21Å; L490-Y496 HydrophobicContact CD2-CD1 4.06Å; L490-L497 HydrophobicContact CB-CD1 4.33Å; L490-L497 HydrophobicContact CD1-CD1 4.28Å; L490-L497 HydrophobicContact CD1-CD2 4.3Å; L490-L497 HydrophobicContact CD1-CG 4.38Å; L490-L497 HydrophobicContact CD2-CG 4.28Å; L490-L530 HydrophobicContact CB-CD2 3.61Å; L490-L530 HydrophobicContact CD1-CD1 4.28Å; L490-L530 HydrophobicContact CD1-CD2 4.26Å |
| 491 | A | 74.8 | Confident | 76.3 | Confident | 37 Ų | 37 | 41.5 Ų | 41.5 | 31% | 0.306 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -69.7 | -19.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113 | S487 R529 | S487-A491 WeakPolarHBondContact O-CB 3.38Å; S487-A491 PolarHBondContact O-N 3.06Å; A491-R529 HydrophobicContact CB-CG 4.43Å |
| 492 | R | 75 | Confident | 75.5 | Confident | 103 Ų | 103 | 41.5 Ų | 41.5 | 39% | 0.389 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -88.7 | -38.9 | 176.5 | -176.3 | 176.9 | 178.5 | 161.7 | 2.1 | 112.5 | I445 V448 T449 R488 F489 L490 P494 | I445-R492 PolarHBondContact O-NH1 3.38Å; V448-R492 VanDerWaalsContact O-CZ 3.25Å; V448-R492 PolarHBondContact O-NH1 3.21Å; V448-R492 PolarHBondContact O-NH2 2.86Å; T449-R492 PolarHBondContact O-NH2 3.05Å; R488-R492 PolarHBondContact O-N 3.22Å; F489-R492 WeakPolarHBondContact O-CB 3.49Å; F489-R492 PolarHBondContact O-N 3.27Å; F489-R492 VanDerWaalsContact O-N 3.16Å; L490-R492 PolarHBondContact O-N 3.26Å; R492-P494 VanDerWaalsContact C-CD 3.43Å; R492-P494 WeakPolarHBondContact O-CD 3.43Å |
| 493 | D | 71.6 | Confident | 74.7 | Confident | 64 Ų | 64 | 42.5 Ų | 42.5 | 34% | 0.342 | 22% | 0.215 | S | C | . | . | trans | -121.9 | 66.9 | 178.7 | -113.6 | -44.2 | 0 | 0 | 0 | 111.6 | F489 L490 N495 Y496 | F489-D493 PolarHBondContact O-N 3.05Å; F489-D493 VanDerWaalsContact O-N 3.11Å; L490-D493 CarbonylContact O-C 3.59Å; D493-N495 PolarHBondContact O-N 2.88Å; D493-Y496 PolarHBondContact O-N 3.42Å | ||
| 494 | P | 66.2 | Low | 74.2 | Confident | 25 Ų | 25 | 43.5 Ų | 43.5 | 16% | 0.162 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -60.9 | -20.9 | -179.3 | 25.6 | -35 | 0 | 0 | 0 | 112.6 | L490 R492 Y496 L497 L498 | L490-P494 WeakPolarHBondContact O-CA 3.21Å; R492-P494 VanDerWaalsContact C-CD 3.43Å; R492-P494 WeakPolarHBondContact O-CD 3.43Å; P494-Y496 PolarHBondContact O-N 2.86Å; P494-Y496 VanDerWaalsContact O-N 3.09Å; P494-L497 PolarHBondContact O-N 3.24Å; P494-L497 VanDerWaalsContact O-N 3.14Å; P494-L498 PolarHBondContact O-N 3.28Å |
| 495 | N | 67.5 | Low | 73.9 | Confident | 82 Ų | 82 | 42.5 Ų | 42.5 | 44% | 0.439 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -55.1 | -20.9 | 171.6 | -69.9 | -46.4 | 0 | 0 | 0 | 114.2 | D493 K499 | D493-N495 PolarHBondContact O-N 2.88Å; N495-K499 WeakPolarHBondContact O-CG 3.44Å; N495-K499 PolarHBondContact O-N 2.82Å |
| 496 | Y | 67.8 | Low | 73.4 | Confident | 38 Ų | 38 | 47.6 Ų | 47.6 | 15% | 0.149 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -70.8 | -46 | 174.8 | -168.9 | -89.3 | 0 | 0 | 0 | 112 | I457 L460 I464 L490 D493 P494 L498 K499 D500 | I457-Y496 HydrophobicContact CG1-CD2 4.42Å; I457-Y496 HydrophobicContact CG1-CE2 4.24Å; L460-Y496 HydrophobicContact CB-CE2 4.21Å; L460-Y496 HydrophobicContact CD1-CD1 4.38Å; L460-Y496 HydrophobicContact CD1-CD2 3.53Å; L460-Y496 HydrophobicContact CD1-CE2 4.01Å; L460-Y496 HydrophobicContact CD1-CG 3.74Å; I464-Y496 HydrophobicContact CD1-CE1 3.69Å; L490-Y496 HydrophobicContact CD2-CD1 4.06Å; D493-Y496 PolarHBondContact O-N 3.42Å; P494-Y496 PolarHBondContact O-N 2.86Å; P494-Y496 VanDerWaalsContact O-N 3.09Å; Y496-L498 PolarHBondContact O-N 3.31Å; Y496-K499 PolarHBondContact O-N 3.28Å; Y496-D500 PolarHBondContact O-N 3.46Å |
| 497 | L | 60.9 | Low | 73.2 | Confident | 15 Ų | 15 | 47.6 Ų | 47.6 | 8% | 0.079 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -28.4 | 175.8 | -73.1 | 165.3 | 0 | 0 | 0 | 112.6 | L490 P494 K499 D500 Q503 L530 | L490-L497 HydrophobicContact CB-CD1 4.33Å; L490-L497 HydrophobicContact CD1-CD1 4.28Å; L490-L497 HydrophobicContact CD1-CD2 4.3Å; L490-L497 HydrophobicContact CD1-CG 4.38Å; L490-L497 HydrophobicContact CD2-CG 4.28Å; P494-L497 PolarHBondContact O-N 3.24Å; P494-L497 VanDerWaalsContact O-N 3.14Å; L497-K499 VanDerWaalsContact C-N 3.29Å; L497-D500 CarbonylContact O-C 3.58Å; L497-Q503 HydrophobicContact CD2-CB 4.24Å; L497-L530 HydrophobicContact CD1-CD1 3.85Å; L497-L530 HydrophobicContact CD1-CD2 3.61Å; L497-L530 HydrophobicContact CD1-CG 4.25Å |
| 498 | L | 61.3 | Low | 73.1 | Confident | 23 Ų | 23 | 47.5 Ų | 47.5 | 12% | 0.12 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -12.7 | 176.8 | -58.4 | 173.9 | 0 | 0 | 0 | 113.2 | P494 Y496 I545 | P494-L498 PolarHBondContact O-N 3.28Å; Y496-L498 PolarHBondContact O-N 3.31Å; L498-I545 HydrophobicContact CD1-CG1 3.93Å; L498-I545 HydrophobicContact CD2-CG1 3.66Å; L498-I545 HydrophobicContact CG-CG1 4.47Å |
| 499 | K | 66.5 | Low | 72.9 | Confident | 171 Ų | 171 | 48.3 Ų | 48.3 | 74% | 0.743 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -36.6 | 171 | -72.2 | 175.7 | -178.4 | 178.2 | 0 | 112.4 | N495 Y496 L497 | N495-K499 WeakPolarHBondContact O-CG 3.44Å; N495-K499 PolarHBondContact O-N 2.82Å; Y496-K499 PolarHBondContact O-N 3.28Å; L497-K499 VanDerWaalsContact C-N 3.29Å |
| 500 | D | 65.6 | Low | 72.9 | Confident | 48 Ų | 48 | 48.1 Ų | 48.1 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | trans | -125.9 | 86.2 | 174.9 | -177 | 10.4 | 0 | 0 | 0 | 111.8 | Y496 L497 S502 Q503 | Y496-D500 PolarHBondContact O-N 3.46Å; L497-D500 CarbonylContact O-C 3.58Å; D500-S502 PolarHBondContact O-N 3.15Å; D500-S502 VanDerWaalsContact OD1-CB 3.26Å; D500-S502 WeakPolarHBondContact OD1-CB 3.25Å; D500-S502 PolarHBondContact OD1-N 3.44Å; D500-S502 PolarHBondContact OD1-OG 3.45Å; D500-S502 PolarHBondContact OD2-OG 3.06Å; D500-Q503 WeakPolarHBondContact OD2-CG 3.47Å; D500-Q503 PolarHBondContact OD2-NE2 3.37Å | ||
| 501 | P | 65.5 | Low | 73.1 | Confident | 49 Ų | 49 | 47.9 Ų | 47.9 | 32% | 0.318 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -7.3 | 177.4 | 31.3 | -37.8 | 0 | 0 | 0 | 113.5 | Q503 L504 P505 | P501-Q503 PolarHBondContact O-N 3.17Å; P501-L504 PolarHBondContact O-N 2.77Å; P501-P505 WeakPolarHBondContact O-CD 3.34Å |
| 502 | S | 71.2 | Confident | 73 | Confident | 66 Ų | 66 | 48.5 Ų | 48.5 | 46% | 0.462 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -18.6 | 179.8 | 75.9 | 0 | 0 | 0 | 0 | 113.2 | D500 L504 P505 | D500-S502 PolarHBondContact O-N 3.15Å; D500-S502 VanDerWaalsContact OD1-CB 3.26Å; D500-S502 WeakPolarHBondContact OD1-CB 3.25Å; D500-S502 PolarHBondContact OD1-N 3.44Å; D500-S502 PolarHBondContact OD1-OG 3.45Å; D500-S502 PolarHBondContact OD2-OG 3.06Å; S502-L504 VanDerWaalsContact C-N 3.31Å; S502-L504 PolarHBondContact O-N 3.05Å; S502-P505 WeakPolarHBondContact O-CD 3.41Å |
| 503 | Q | 74.2 | Confident | 72.8 | Confident | 22 Ų | 22 | 47 Ų | 47 | 10% | 0.103 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.7 | -22.1 | 177.2 | -55.3 | -54.4 | -35.3 | 0 | 0 | 113.4 | Y468 L497 D500 P501 L507 | Y468-Q503 PolarHBondContact OH-O 2.69Å; L497-Q503 HydrophobicContact CD2-CB 4.24Å; D500-Q503 WeakPolarHBondContact OD2-CG 3.47Å; D500-Q503 PolarHBondContact OD2-NE2 3.37Å; P501-Q503 PolarHBondContact O-N 3.17Å; Q503-L507 PolarHBondContact O-N 2.67Å; Q503-L507 VanDerWaalsContact O-N 3.08Å |
| 504 | L | 76.8 | Confident | 72.7 | Confident | 21 Ų | 21 | 53.6 Ų | 53.6 | 11% | 0.11 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -74.5 | -48.9 | -180 | -157.6 | 80.1 | 0 | 0 | 0 | 112.7 | P501 S502 R506 L507 F508 L527 L530 L552 F574 | P501-L504 PolarHBondContact O-N 2.77Å; S502-L504 VanDerWaalsContact C-N 3.31Å; S502-L504 PolarHBondContact O-N 3.05Å; L504-R506 VanDerWaalsContact C-N 3.25Å; L504-R506 PolarHBondContact O-N 3.11Å; L504-L507 PolarHBondContact O-N 3.31Å; L504-F508 HydrophobicContact CG-CD2 4.35Å; L504-F508 HydrophobicContact CG-CE2 4.3Å; L504-F508 WeakPolarHBondContact O-CD2 3.37Å; L504-F508 PolarHBondContact O-N 3.01Å; L504-L527 HydrophobicContact CD1-CD2 3.75Å; L504-L527 HydrophobicContact CG-CD2 4.39Å; L504-L530 HydrophobicContact CD1-CD1 4.22Å; L504-L552 HydrophobicContact CD2-CD1 3.61Å; L504-F574 HydrophobicContact CD2-CE1 4.44Å |
| 505 | P | 79.6 | Confident | 73.3 | Confident | 53 Ų | 53 | 53.9 Ų | 53.9 | 34% | 0.344 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -48.3 | -49.2 | 166.9 | -24.3 | 28.5 | 0 | 0 | 0 | 112.1 | P501 S502 L507 F508 D509 L555 | P501-P505 WeakPolarHBondContact O-CD 3.34Å; S502-P505 WeakPolarHBondContact O-CD 3.41Å; P505-L507 VanDerWaalsContact C-N 3.31Å; P505-L507 PolarHBondContact O-N 2.81Å; P505-F508 CarbonylContact O-C 3.51Å; P505-F508 WeakPolarHBondContact O-CA 3.39Å; P505-F508 WeakPolarHBondContact O-CB 3.36Å; P505-F508 PolarHBondContact O-N 2.97Å; P505-D509 VanDerWaalsContact O-CG 3.27Å; P505-D509 PolarHBondContact O-N 3.28Å; P505-L555 HydrophobicContact CB-CD1 4.17Å; P505-L555 HydrophobicContact CG-CD1 3.82Å |
| 506 | R | 80.1 | Confident | 73.9 | Confident | 107 Ų | 107 | 52.4 Ų | 52.4 | 40% | 0.404 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.3 | -34.5 | -177.3 | -158.8 | -178.5 | -178.2 | -168.4 | 2.8 | 113.6 | Y468 L504 D509 V510 | Y468-R506 HydrophobicContact CD1-CG 4.05Å; Y468-R506 VanDerWaalsContact CD2-CZ 3.46Å; Y468-R506 HydrophobicContact CE1-CB 4.21Å; Y468-R506 HydrophobicContact CE1-CG 3.63Å; Y468-R506 HydrophobicContact CE2-CG 4.18Å; Y468-R506 HydrophobicContact CG-CG 4.49Å; L504-R506 VanDerWaalsContact C-N 3.25Å; L504-R506 PolarHBondContact O-N 3.11Å; R506-D509 PolarHBondContact O-N 2.85Å; R506-V510 WeakPolarHBondContact O-CG2 3.17Å; R506-V510 PolarHBondContact O-N 3.03Å |
| 507 | L | 80.5 | Confident | 74.5 | Confident | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.6 | -38.7 | 172.5 | -106 | 171.4 | 0 | 0 | 0 | 112.2 | Y468 F483 Q503 L504 P505 A523 C526 L527 L530 | Y468-L507 WeakPolarHBondContact OH-CG 3.35Å; Y468-L507 PolarHBondContact OH-N 3.46Å; F483-L507 HydrophobicContact CD1-CD2 3.92Å; F483-L507 HydrophobicContact CE1-CD2 3.73Å; Q503-L507 PolarHBondContact O-N 2.67Å; Q503-L507 VanDerWaalsContact O-N 3.08Å; L504-L507 PolarHBondContact O-N 3.31Å; P505-L507 VanDerWaalsContact C-N 3.31Å; P505-L507 PolarHBondContact O-N 2.81Å; L507-A523 HydrophobicContact CD2-CB 4.19Å; L507-C526 HydrophobicContact CD2-CB 4.33Å; L507-L527 HydrophobicContact CB-CD1 4.2Å; L507-L527 HydrophobicContact CB-CD2 3.85Å; L507-L527 HydrophobicContact CB-CG 4.02Å; L507-L527 HydrophobicContact CD1-CD2 4.03Å; L507-L527 HydrophobicContact CD1-CG 4.29Å; L507-L527 HydrophobicContact CD2-CG 4.35Å; L507-L527 HydrophobicContact CG-CD2 4.46Å; L507-L527 HydrophobicContact CG-CG 4.46Å; L507-L530 HydrophobicContact CD1-CD1 3.63Å |
| 508 | F | 83.2 | Confident | 75.5 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -72.7 | -30 | 175.8 | -89.5 | -86.6 | 0 | 0 | 0 | 112.5 | L504 P505 L511 L527 L555 L556 N559 V570 F574 | L504-F508 HydrophobicContact CG-CD2 4.35Å; L504-F508 HydrophobicContact CG-CE2 4.3Å; L504-F508 WeakPolarHBondContact O-CD2 3.37Å; L504-F508 PolarHBondContact O-N 3.01Å; P505-F508 CarbonylContact O-C 3.51Å; P505-F508 WeakPolarHBondContact O-CA 3.39Å; P505-F508 WeakPolarHBondContact O-CB 3.36Å; P505-F508 PolarHBondContact O-N 2.97Å; F508-L511 HydrophobicContact CD1-CD1 4.35Å; F508-L511 WeakPolarHBondContact O-CB 3.49Å; F508-L511 PolarHBondContact O-N 2.85Å; F508-L511 VanDerWaalsContact O-N 3.16Å; F508-L527 HydrophobicContact CD1-CD1 4.1Å; F508-L527 HydrophobicContact CD2-CD1 3.79Å; F508-L527 HydrophobicContact CD2-CD2 3.67Å; F508-L527 HydrophobicContact CD2-CG 4.41Å; F508-L527 HydrophobicContact CE1-CD1 4.26Å; F508-L527 HydrophobicContact CE2-CD1 3.98Å; F508-L527 HydrophobicContact CE2-CD2 3.49Å; F508-L527 VanDerWaalsContact CE2-CD2 3.49Å; F508-L527 HydrophobicContact CE2-CG 4.34Å; F508-L527 HydrophobicContact CG-CD1 3.88Å; F508-L527 HydrophobicContact CZ-CD1 4.21Å; F508-L527 HydrophobicContact CZ-CD2 4.26Å; F508-L555 HydrophobicContact CD1-CD2 4.4Å; F508-L555 HydrophobicContact CD2-CD1 4.45Å; F508-L555 HydrophobicContact CD2-CD2 3.55Å; F508-L555 HydrophobicContact CE1-CD2 4.34Å; F508-L555 HydrophobicContact CE2-CD2 3.47Å; F508-L555 VanDerWaalsContact CE2-CD2 3.47Å; F508-L555 HydrophobicContact CG-CD2 4.01Å; F508-L555 HydrophobicContact CZ-CD2 3.89Å; F508-L556 HydrophobicContact CZ-CD2 4.3Å; F508-N559 WeakPolarHBondContact CB-OD1 3.42Å; F508-N559 HydrophobicContact CD1-CB 3.86Å; F508-N559 WeakPolarHBondContact CD1-OD1 3.36Å; F508-N559 HydrophobicContact CE1-CB 4.1Å; F508-V570 HydrophobicContact CE1-CB 4.23Å; F508-V570 HydrophobicContact CE1-CG1 3.7Å; F508-V570 HydrophobicContact CZ-CG1 3.69Å; F508-F574 HydrophobicContact CE2-CZ 4.32Å; F508-F574 HydrophobicContact CZ-CD2 4.32Å; F508-F574 HydrophobicContact CZ-CE2 4.2Å; F508-F574 HydrophobicContact CZ-CZ 4.43Å |
| 509 | D | 82.3 | Confident | 76.6 | Confident | 73 Ų | 73 | 58.1 Ų | 58.1 | 39% | 0.39 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -71.4 | -31.8 | 179.9 | -67.1 | -32 | 0 | 0 | 0 | 112.8 | P505 R506 L511 S512 E513 K562 | P505-D509 VanDerWaalsContact O-CG 3.27Å; P505-D509 PolarHBondContact O-N 3.28Å; R506-D509 PolarHBondContact O-N 2.85Å; D509-L511 PolarHBondContact O-N 3.39Å; D509-S512 WeakPolarHBondContact CA-OG 3.2Å; D509-S512 PolarHBondContact O-N 3.26Å; D509-S512 PolarHBondContact O-OG 3.23Å; D509-E513 PolarHBondContact O-N 3.37Å; D509-K562 IonicContact OD1-NZ 3.86Å; D509-K562 PolarHBondContact OD1-NZ 3.42Å |
| 510 | V | 83 | Confident | 77.6 | Confident | 7 Ų | 7 | 51.1 Ų | 51.1 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.7 | -29.7 | 169.4 | 170.7 | 0 | 0 | 0 | 0 | 112.2 | Y468 F483 R506 N515 A523 | Y468-V510 HydrophobicContact CD1-CG2 3.98Å; Y468-V510 HydrophobicContact CE1-CG2 3.85Å; F483-V510 HydrophobicContact CZ-CG1 4.47Å; F483-V510 HydrophobicContact CZ-CG2 4.27Å; R506-V510 WeakPolarHBondContact O-CG2 3.17Å; R506-V510 PolarHBondContact O-N 3.03Å; V510-N515 PolarHBondContact O-ND2 2.68Å; V510-N515 VanDerWaalsContact O-ND2 3.1Å; V510-A523 HydrophobicContact CB-CB 4.41Å; V510-A523 HydrophobicContact CG1-CB 3.84Å |
| 511 | L | 81.5 | Confident | 78.6 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -73.8 | -28.4 | 174.7 | -54 | -177 | 0 | 0 | 0 | 112.8 | F508 D509 K520 A523 A524 L527 V570 | F508-L511 HydrophobicContact CD1-CD1 4.35Å; F508-L511 WeakPolarHBondContact O-CB 3.49Å; F508-L511 PolarHBondContact O-N 2.85Å; F508-L511 VanDerWaalsContact O-N 3.16Å; D509-L511 PolarHBondContact O-N 3.39Å; L511-K520 HydrophobicContact CD2-CB 4.35Å; L511-K520 VanDerWaalsContact CD2-O 3.25Å; L511-K520 WeakPolarHBondContact CD2-O 3.45Å; L511-K520 WeakPolarHBondContact O-CE 3.41Å; L511-K520 PolarHBondContact O-NZ 3.28Å; L511-A523 HydrophobicContact CD2-CB 3.94Å; L511-A524 HydrophobicContact CD2-CB 4.02Å; L511-L527 HydrophobicContact CD1-CD1 3.9Å; L511-L527 HydrophobicContact CG-CD1 4.47Å; L511-V570 HydrophobicContact CD1-CG2 4.31Å |
| 512 | S | 72.5 | Confident | 79.6 | Confident | 50 Ų | 50 | 52.9 Ų | 52.9 | 35% | 0.35 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -91.7 | -32.1 | -179.1 | 29.1 | 0 | 0 | 0 | 0 | 114.9 | D509 K562 | D509-S512 WeakPolarHBondContact CA-OG 3.2Å; D509-S512 PolarHBondContact O-N 3.26Å; D509-S512 PolarHBondContact O-OG 3.23Å; S512-K562 WeakPolarHBondContact OG-CE 3.4Å; S512-K562 PolarHBondContact OG-NZ 3.34Å |
| 513 | E | 71.9 | Confident | 80.3 | Confident | 70 Ų | 70 | 49.7 Ų | 49.7 | 33% | 0.327 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -59.7 | 161.3 | 172.6 | -74.9 | -176.5 | 146.3 | 0 | 0 | 111.7 | R470 D509 N515 K520 | R470-E513 IonicContact CZ-OE1 3.08Å; R470-E513 IonicContact NE-OE1 2.62Å; R470-E513 IonicContact NH2-OE1 3.96Å; R470-E513 PolarHBondContact NH2-OE1 3.24Å; D509-E513 PolarHBondContact O-N 3.37Å; E513-N515 VanDerWaalsContact CB-ND2 3.31Å; E513-N515 WeakPolarHBondContact CB-ND2 3.44Å; E513-N515 PolarHBondContact O-N 2.99Å; E513-N515 PolarHBondContact OE2-ND2 3.44Å; E513-K520 WeakPolarHBondContact O-CE 3.4Å; E513-K520 PolarHBondContact O-NZ 2.86Å |
| 514 | E | 69 | Low | 81 | Confident | 204 Ų | 204 | 48.8 Ų | 48.8 | 95% | 0.953 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -76.2 | 53.7 | 172.7 | -61.9 | -158.7 | 150.5 | 0 | 0 | 112.1 | ||
| 515 | N | 78.5 | Confident | 81.5 | Confident | 30 Ų | 30 | 52 Ų | 52 | 16% | 0.16 | 28% | 0.276 | C | S | . | . | trans | -80 | 148 | 172.3 | -76.2 | -59.4 | 0 | 0 | 0 | 111.3 | V510 E513 L519 K520 | V510-N515 PolarHBondContact O-ND2 2.68Å; V510-N515 VanDerWaalsContact O-ND2 3.1Å; E513-N515 VanDerWaalsContact CB-ND2 3.31Å; E513-N515 WeakPolarHBondContact CB-ND2 3.44Å; E513-N515 PolarHBondContact O-N 2.99Å; E513-N515 PolarHBondContact OE2-ND2 3.44Å; N515-L519 HydrophobicContact CB-CD2 4.21Å; N515-K520 HydrophobicContact CB-CG 4.14Å; N515-K520 VanDerWaalsContact O-CE 3.31Å; N515-K520 WeakPolarHBondContact O-CE 3.47Å | ||
| 516 | P | 80.4 | Confident | 81.9 | Confident | 51 Ų | 51 | 49.5 Ų | 49.5 | 33% | 0.331 | 26% | 0.26 | S | S | . | . | trans | -59.7 | 146.9 | 176 | 23.9 | -33.7 | 0 | 0 | 0 | 112.1 | T476 E518 L519 K520 | T476-P516 HydrophobicContact CG2-CB 4.05Å; T476-P516 HydrophobicContact CG2-CG 3.48Å; T476-P516 VanDerWaalsContact CG2-CG 3.48Å; P516-E518 VanDerWaalsContact C-N 3.26Å; P516-E518 PolarHBondContact O-N 3.44Å; P516-E518 VanDerWaalsContact O-N 3.15Å; P516-L519 HydrophobicContact CG-CB 4.14Å; P516-L519 WeakPolarHBondContact O-CB 3.43Å; P516-L519 PolarHBondContact O-N 3.14Å; P516-K520 PolarHBondContact O-N 2.82Å; P516-K520 VanDerWaalsContact O-N 3.16Å | ||
| 517 | A | 79.7 | Confident | 82.3 | Confident | 80 Ų | 80 | 44.4 Ų | 44.4 | 66% | 0.661 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -58.1 | -34.1 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114 | L519 K520 L521 | A517-L519 VanDerWaalsContact C-N 3.33Å; A517-L519 PolarHBondContact O-N 2.91Å; A517-K520 PolarHBondContact O-N 2.85Å; A517-L521 WeakPolarHBondContact O-CB 3.47Å; A517-L521 PolarHBondContact O-N 3.41Å |
| 518 | E | 81.5 | Confident | 82.6 | Confident | 116 Ų | 116 | 48.3 Ų | 48.3 | 54% | 0.542 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.5 | -42.9 | 174.6 | -61 | 178.6 | -178.9 | 0 | 0 | 112 | T476 P516 L521 A522 | T476-E518 HydrophobicContact CG2-CB 4.39Å; P516-E518 VanDerWaalsContact C-N 3.26Å; P516-E518 PolarHBondContact O-N 3.44Å; P516-E518 VanDerWaalsContact O-N 3.15Å; E518-L521 PolarHBondContact O-N 3.31Å; E518-A522 WeakPolarHBondContact O-CB 3.31Å; E518-A522 PolarHBondContact O-N 3.43Å |
| 519 | L | 84.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71.5 | -41.6 | -179.5 | -162.7 | 70.6 | 0 | 0 | 0 | 111 | R479 A480 F483 N515 P516 A517 L521 A522 A523 | R479-L519 HydrophobicContact CB-CD1 3.8Å; A480-L519 HydrophobicContact CB-CD1 4.37Å; F483-L519 HydrophobicContact CD2-CD1 3.73Å; F483-L519 HydrophobicContact CD2-CG 4.4Å; F483-L519 HydrophobicContact CE2-CD1 3.79Å; F483-L519 HydrophobicContact CE2-CG 4.15Å; N515-L519 HydrophobicContact CB-CD2 4.21Å; P516-L519 HydrophobicContact CG-CB 4.14Å; P516-L519 WeakPolarHBondContact O-CB 3.43Å; P516-L519 PolarHBondContact O-N 3.14Å; A517-L519 VanDerWaalsContact C-N 3.33Å; A517-L519 PolarHBondContact O-N 2.91Å; L519-L521 VanDerWaalsContact C-N 3.34Å; L519-L521 PolarHBondContact O-N 3.29Å; L519-A522 PolarHBondContact O-N 3.14Å; L519-A523 WeakPolarHBondContact O-CB 3.32Å; L519-A523 PolarHBondContact O-N 2.94Å |
| 520 | K | 87.2 | Confident | 82.7 | Confident | 25 Ų | 25 | 50.5 Ų | 50.5 | 11% | 0.109 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.1 | -42.6 | 172.4 | -65.6 | -162.5 | 179.7 | -157 | 0 | 111.8 | L511 E513 N515 P516 A517 A523 A524 D564 L566 | L511-K520 HydrophobicContact CD2-CB 4.35Å; L511-K520 VanDerWaalsContact CD2-O 3.25Å; L511-K520 WeakPolarHBondContact CD2-O 3.45Å; L511-K520 WeakPolarHBondContact O-CE 3.41Å; L511-K520 PolarHBondContact O-NZ 3.28Å; E513-K520 WeakPolarHBondContact O-CE 3.4Å; E513-K520 PolarHBondContact O-NZ 2.86Å; N515-K520 HydrophobicContact CB-CG 4.14Å; N515-K520 VanDerWaalsContact O-CE 3.31Å; N515-K520 WeakPolarHBondContact O-CE 3.47Å; P516-K520 PolarHBondContact O-N 2.82Å; P516-K520 VanDerWaalsContact O-N 3.16Å; A517-K520 PolarHBondContact O-N 2.85Å; K520-A523 PolarHBondContact O-N 3.37Å; K520-A524 WeakPolarHBondContact O-CB 3.49Å; K520-A524 PolarHBondContact O-N 2.86Å; K520-D564 IonicContact NZ-OD1 2.68Å; K520-D564 PolarHBondContact NZ-OD1 3.18Å; K520-L566 HydrophobicContact CB-CD1 4.16Å |
| 521 | L | 86.4 | Confident | 82.8 | Confident | 118 Ų | 118 | 50.2 Ų | 50.2 | 62% | 0.618 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -67.5 | -40.1 | 179.6 | -167.2 | 121.1 | 0 | 0 | 0 | 111.9 | A517 E518 L519 A524 H525 | A517-L521 WeakPolarHBondContact O-CB 3.47Å; A517-L521 PolarHBondContact O-N 3.41Å; E518-L521 PolarHBondContact O-N 3.31Å; L519-L521 VanDerWaalsContact C-N 3.34Å; L519-L521 PolarHBondContact O-N 3.29Å; L521-A524 PolarHBondContact O-N 3.06Å; L521-H525 WeakPolarHBondContact O-CB 3.39Å; L521-H525 PolarHBondContact O-N 3.27Å |
| 522 | A | 86.6 | Confident | 82.9 | Confident | 15 Ų | 15 | 54.3 Ų | 54.3 | 12% | 0.124 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A480 F483 E518 L519 H525 C526 | A480-A522 HydrophobicContact CB-CB 3.92Å; F483-A522 HydrophobicContact CB-CB 4.02Å; E518-A522 WeakPolarHBondContact O-CB 3.31Å; E518-A522 PolarHBondContact O-N 3.43Å; L519-A522 PolarHBondContact O-N 3.14Å; A522-H525 PolarHBondContact O-N 3.14Å; A522-C526 WeakPolarHBondContact O-CB 3.32Å; A522-C526 PolarHBondContact O-N 3.17Å |
| 523 | A | 87.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.2 | -42 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L507 V510 L511 L519 K520 C526 L527 | L507-A523 HydrophobicContact CD2-CB 4.19Å; V510-A523 HydrophobicContact CB-CB 4.41Å; V510-A523 HydrophobicContact CG1-CB 3.84Å; L511-A523 HydrophobicContact CD2-CB 3.94Å; L519-A523 WeakPolarHBondContact O-CB 3.32Å; L519-A523 PolarHBondContact O-N 2.94Å; K520-A523 PolarHBondContact O-N 3.37Å; A523-C526 WeakPolarHBondContact O-CB 3.35Å; A523-C526 PolarHBondContact O-N 3.28Å; A523-L527 PolarHBondContact O-N 3.05Å |
| 524 | A | 88.4 | Confident | 83.6 | Confident | 3 Ų | 3 | 50 Ų | 50 | 3% | 0.025 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66 | -37.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L511 K520 L521 R528 V570 | L511-A524 HydrophobicContact CD2-CB 4.02Å; K520-A524 WeakPolarHBondContact O-CB 3.49Å; K520-A524 PolarHBondContact O-N 2.86Å; L521-A524 PolarHBondContact O-N 3.06Å; A524-R528 WeakPolarHBondContact O-CG 3.5Å; A524-R528 PolarHBondContact O-N 3.27Å; A524-V570 HydrophobicContact CB-CG2 3.92Å |
| 525 | H | 86.7 | Confident | 84.1 | Confident | 89 Ų | 89 | 42.9 Ų | 42.9 | 41% | 0.412 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.4 | -41.2 | 172.4 | 179.6 | -107.6 | 0 | 0 | 0 | 111.7 | L521 A522 R528 R529 | L521-H525 WeakPolarHBondContact O-CB 3.39Å; L521-H525 PolarHBondContact O-N 3.27Å; A522-H525 PolarHBondContact O-N 3.14Å; H525-R528 PolarHBondContact O-N 3.32Å; H525-R529 PolarHBondContact O-N 3.11Å |
| 526 | C | 88.6 | Confident | 84 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.2 | -52.9 | 172.4 | -177 | 0 | 0 | 0 | 0 | 110.9 | L507 A522 A523 R528 R529 L530 | L507-C526 HydrophobicContact CD2-CB 4.33Å; A522-C526 WeakPolarHBondContact O-CB 3.32Å; A522-C526 PolarHBondContact O-N 3.17Å; A523-C526 WeakPolarHBondContact O-CB 3.35Å; A523-C526 PolarHBondContact O-N 3.28Å; C526-R528 PolarHBondContact O-N 3.08Å; C526-R529 PolarHBondContact O-N 3.4Å; C526-R529 VanDerWaalsContact O-N 3.14Å; C526-L530 WeakPolarHBondContact O-CG 3.17Å; C526-L530 PolarHBondContact O-N 2.9Å |
| 527 | L | 87.5 | Confident | 83.6 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.1 | -45.5 | 178.3 | -81.6 | 168.9 | 0 | 0 | 0 | 113 | L504 L507 F508 L511 A523 R529 L530 A531 V570 F574 | L504-L527 HydrophobicContact CD1-CD2 3.75Å; L504-L527 HydrophobicContact CG-CD2 4.39Å; L507-L527 HydrophobicContact CB-CD1 4.2Å; L507-L527 HydrophobicContact CB-CD2 3.85Å; L507-L527 HydrophobicContact CB-CG 4.02Å; L507-L527 HydrophobicContact CD1-CD2 4.03Å; L507-L527 HydrophobicContact CD1-CG 4.29Å; L507-L527 HydrophobicContact CD2-CG 4.35Å; L507-L527 HydrophobicContact CG-CD2 4.46Å; L507-L527 HydrophobicContact CG-CG 4.46Å; F508-L527 HydrophobicContact CD1-CD1 4.1Å; F508-L527 HydrophobicContact CD2-CD1 3.79Å; F508-L527 HydrophobicContact CD2-CD2 3.67Å; F508-L527 HydrophobicContact CD2-CG 4.41Å; F508-L527 HydrophobicContact CE1-CD1 4.26Å; F508-L527 HydrophobicContact CE2-CD1 3.98Å; F508-L527 HydrophobicContact CE2-CD2 3.49Å; F508-L527 VanDerWaalsContact CE2-CD2 3.49Å; F508-L527 HydrophobicContact CE2-CG 4.34Å; F508-L527 HydrophobicContact CG-CD1 3.88Å; F508-L527 HydrophobicContact CZ-CD1 4.21Å; F508-L527 HydrophobicContact CZ-CD2 4.26Å; L511-L527 HydrophobicContact CD1-CD1 3.9Å; L511-L527 HydrophobicContact CG-CD1 4.47Å; A523-L527 PolarHBondContact O-N 3.05Å; L527-R529 PolarHBondContact O-N 3.39Å; L527-L530 CarbonylContact O-C 3.59Å; L527-L530 WeakPolarHBondContact O-CA 3.49Å; L527-L530 WeakPolarHBondContact O-CB 3.46Å; L527-L530 PolarHBondContact O-N 3.36Å; L527-L530 VanDerWaalsContact O-N 3.12Å; L527-A531 PolarHBondContact O-N 2.7Å; L527-V570 HydrophobicContact CB-CG1 3.79Å; L527-V570 HydrophobicContact CD1-CG1 4.13Å; L527-F574 HydrophobicContact CB-CE2 4.04Å; L527-F574 HydrophobicContact CB-CZ 4.36Å; L527-F574 HydrophobicContact CD2-CE2 4.39Å; L527-F574 HydrophobicContact CD2-CZ 4.01Å; L527-F574 WeakPolarHBondContact O-CE2 3.32Å; L527-F574 VanDerWaalsContact O-CZ 3.28Å; L527-F574 WeakPolarHBondContact O-CZ 3.4Å |
| 528 | R | 87.1 | Confident | 83.3 | Confident | 83 Ų | 83 | 40.5 Ų | 40.5 | 31% | 0.313 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59.7 | -42.5 | 174.9 | -77.1 | 171.2 | 162.1 | 155.2 | -11.1 | 112.7 | A524 H525 C526 L530 A531 V532 L569 | A524-R528 WeakPolarHBondContact O-CG 3.5Å; A524-R528 PolarHBondContact O-N 3.27Å; H525-R528 PolarHBondContact O-N 3.32Å; C526-R528 PolarHBondContact O-N 3.08Å; R528-L530 VanDerWaalsContact C-N 3.27Å; R528-L530 PolarHBondContact O-N 2.72Å; R528-A531 WeakPolarHBondContact O-CB 3.49Å; R528-A531 PolarHBondContact O-N 2.88Å; R528-V532 PolarHBondContact O-N 3.02Å; R528-L569 VanDerWaalsContact NH2-CD2 3.31Å |
| 529 | R | 85.1 | Confident | 82.7 | Confident | 119 Ų | 119 | 41.5 Ų | 41.5 | 45% | 0.449 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.5 | -34.1 | 175.7 | -161.7 | 176.9 | -172.4 | 91.6 | 1.7 | 111.7 | A491 H525 C526 L527 A533 | A491-R529 HydrophobicContact CB-CG 4.43Å; H525-R529 PolarHBondContact O-N 3.11Å; C526-R529 PolarHBondContact O-N 3.4Å; C526-R529 VanDerWaalsContact O-N 3.14Å; L527-R529 PolarHBondContact O-N 3.39Å; R529-A533 PolarHBondContact O-N 3.09Å; R529-A533 VanDerWaalsContact O-N 3.1Å |
| 530 | L | 83.4 | Confident | 82 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.1 | -36.3 | 172.4 | -65.1 | -178.3 | 0 | 0 | 0 | 113 | L490 L497 L504 L507 C526 L527 R528 V532 A533 L534 | L490-L530 HydrophobicContact CB-CD2 3.61Å; L490-L530 HydrophobicContact CD1-CD1 4.28Å; L490-L530 HydrophobicContact CD1-CD2 4.26Å; L497-L530 HydrophobicContact CD1-CD1 3.85Å; L497-L530 HydrophobicContact CD1-CD2 3.61Å; L497-L530 HydrophobicContact CD1-CG 4.25Å; L504-L530 HydrophobicContact CD1-CD1 4.22Å; L507-L530 HydrophobicContact CD1-CD1 3.63Å; C526-L530 WeakPolarHBondContact O-CG 3.17Å; C526-L530 PolarHBondContact O-N 2.9Å; L527-L530 CarbonylContact O-C 3.59Å; L527-L530 WeakPolarHBondContact O-CA 3.49Å; L527-L530 WeakPolarHBondContact O-CB 3.46Å; L527-L530 PolarHBondContact O-N 3.36Å; L527-L530 VanDerWaalsContact O-N 3.12Å; R528-L530 VanDerWaalsContact C-N 3.27Å; R528-L530 PolarHBondContact O-N 2.72Å; L530-V532 VanDerWaalsContact C-N 3.33Å; L530-V532 PolarHBondContact O-N 3.29Å; L530-A533 PolarHBondContact O-N 3.31Å; L530-L534 WeakPolarHBondContact O-CB 3.34Å; L530-L534 VanDerWaalsContact O-CG 3.28Å; L530-L534 WeakPolarHBondContact O-CG 3.44Å; L530-L534 PolarHBondContact O-N 2.86Å |
| 531 | A | 84.2 | Confident | 80.8 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.1 | -44.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L527 R528 L534 H535 F574 L577 I578 | L527-A531 PolarHBondContact O-N 2.7Å; R528-A531 WeakPolarHBondContact O-CB 3.49Å; R528-A531 PolarHBondContact O-N 2.88Å; A531-L534 PolarHBondContact O-N 3.31Å; A531-H535 WeakPolarHBondContact O-CB 3.34Å; A531-H535 PolarHBondContact O-N 2.91Å; A531-F574 HydrophobicContact CB-CD1 4.31Å; A531-F574 HydrophobicContact CB-CD2 3.78Å; A531-F574 HydrophobicContact CB-CE1 4.22Å; A531-F574 HydrophobicContact CB-CE2 3.7Å; A531-F574 HydrophobicContact CB-CG 4.09Å; A531-F574 HydrophobicContact CB-CZ 3.93Å; A531-L577 HydrophobicContact CB-CD1 4.19Å; A531-I578 HydrophobicContact CB-CD1 4.35Å |
| 532 | V | 84.6 | Confident | 79.7 | Confident | 87 Ų | 87 | 50.2 Ų | 50.2 | 53% | 0.527 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.5 | -43 | 175.1 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | R528 L530 H535 S536 L577 | R528-V532 PolarHBondContact O-N 3.02Å; L530-V532 VanDerWaalsContact C-N 3.33Å; L530-V532 PolarHBondContact O-N 3.29Å; V532-H535 PolarHBondContact O-N 3.4Å; V532-S536 PolarHBondContact O-N 3.38Å; V532-L577 HydrophobicContact CG2-CD1 4.42Å |
| 533 | A | 79.2 | Confident | 78.5 | Confident | 9 Ų | 9 | 56.8 Ų | 56.8 | 7% | 0.074 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R529 L530 S536 A537 | R529-A533 PolarHBondContact O-N 3.09Å; R529-A533 VanDerWaalsContact O-N 3.1Å; L530-A533 PolarHBondContact O-N 3.31Å; A533-S536 PolarHBondContact O-N 3.32Å; A533-S536 PolarHBondContact O-OG 3.02Å; A533-A537 PolarHBondContact O-N 3.03Å |
| 534 | L | 79.1 | Confident | 77.3 | Confident | 21 Ų | 21 | 59.4 Ų | 59.4 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 177.1 | -71.7 | 169.1 | 0 | 0 | 0 | 111.8 | L530 A531 S536 A537 Q538 F574 I578 | L530-L534 WeakPolarHBondContact O-CB 3.34Å; L530-L534 VanDerWaalsContact O-CG 3.28Å; L530-L534 WeakPolarHBondContact O-CG 3.44Å; L530-L534 PolarHBondContact O-N 2.86Å; A531-L534 PolarHBondContact O-N 3.31Å; L534-S536 VanDerWaalsContact C-N 3.33Å; L534-S536 PolarHBondContact O-N 2.96Å; L534-A537 PolarHBondContact O-N 2.93Å; L534-Q538 WeakPolarHBondContact O-CB 3.16Å; L534-Q538 PolarHBondContact O-N 2.85Å; L534-F574 HydrophobicContact CD1-CE1 4.23Å; L534-I578 HydrophobicContact CB-CD1 4.29Å; L534-I578 HydrophobicContact CD1-CD1 4.35Å |
| 535 | H | 80.5 | Confident | 76.2 | Confident | 53 Ų | 53 | 59.6 Ų | 59.6 | 25% | 0.245 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60 | -40.9 | 173.7 | 179.6 | 74.4 | 0 | 0 | 0 | 112.2 | A531 V532 Q538 K539 L577 | A531-H535 WeakPolarHBondContact O-CB 3.34Å; A531-H535 PolarHBondContact O-N 2.91Å; V532-H535 PolarHBondContact O-N 3.4Å; H535-Q538 PolarHBondContact O-N 3.3Å; H535-K539 VanDerWaalsContact NE2-CE 3.28Å; H535-K539 WeakPolarHBondContact NE2-CE 3.42Å; H535-K539 PolarHBondContact NE2-NZ 3.14Å; H535-K539 PolarHBondContact O-N 3.32Å; H535-L577 PolarHBondContact CE1-O 3.42Å; H535-L577 VanDerWaalsContact CE1-O 3.22Å; H535-L577 PolarHBondContact ND1-O 3.45Å |
| 536 | S | 75.4 | Confident | 75.3 | Confident | 52 Ų | 52 | 65 Ų | 65 | 36% | 0.364 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.7 | -40 | 176.4 | 77.5 | 0 | 0 | 0 | 0 | 112.8 | V532 A533 L534 K539 Q540 | V532-S536 PolarHBondContact O-N 3.38Å; A533-S536 PolarHBondContact O-N 3.32Å; A533-S536 PolarHBondContact O-OG 3.02Å; L534-S536 VanDerWaalsContact C-N 3.33Å; L534-S536 PolarHBondContact O-N 2.96Å; S536-K539 PolarHBondContact O-N 3.04Å; S536-Q540 WeakPolarHBondContact O-CG 3.37Å; S536-Q540 PolarHBondContact O-N 3.09Å; S536-Q540 VanDerWaalsContact O-N 3.11Å |
| 537 | A | 73 | Confident | 74.3 | Confident | 5 Ų | 5 | 67.7 Ų | 67.7 | 4% | 0.041 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -73.6 | -28.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A533 L534 Q540 C542 I545 | A533-A537 PolarHBondContact O-N 3.03Å; L534-A537 PolarHBondContact O-N 2.93Å; A537-Q540 CarbonylContact O-C 3.56Å; A537-Q540 PolarHBondContact O-N 3.36Å; A537-C542 WeakPolarHBondContact O-CB 3.33Å; A537-C542 PolarHBondContact O-N 2.93Å; A537-I545 VanDerWaalsContact C-CD1 3.44Å; A537-I545 HydrophobicContact CB-CD1 3.57Å |
| 538 | Q | 72.1 | Confident | 73.5 | Confident | 55 Ų | 55 | 70 Ų | 70 | 26% | 0.257 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.1 | -42.3 | 169.9 | -177.7 | 174 | -44.3 | 0 | 0 | 111.1 | L534 H535 Q540 N541 I545 I578 | L534-Q538 WeakPolarHBondContact O-CB 3.16Å; L534-Q538 PolarHBondContact O-N 2.85Å; H535-Q538 PolarHBondContact O-N 3.3Å; Q538-Q540 PolarHBondContact O-N 3.02Å; Q538-N541 PolarHBondContact O-N 3.04Å; Q538-I545 HydrophobicContact CB-CD1 4.31Å; Q538-I578 PolarHBondContact NE2-O 3.11Å; Q538-I578 PolarHBondContact OE1-O 3.07Å |
| 539 | K | 70.5 | Confident | 72.8 | Confident | 136 Ų | 136 | 67.5 Ų | 67.5 | 59% | 0.591 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.7 | -25 | 170.9 | -78.7 | 175.4 | 167.4 | 168.7 | 0 | 113.4 | H535 S536 N541 | H535-K539 VanDerWaalsContact NE2-CE 3.28Å; H535-K539 WeakPolarHBondContact NE2-CE 3.42Å; H535-K539 PolarHBondContact NE2-NZ 3.14Å; H535-K539 PolarHBondContact O-N 3.32Å; S536-K539 PolarHBondContact O-N 3.04Å; K539-N541 PolarHBondContact O-N 3.48Å |
| 540 | Q | 68.2 | Low | 72.3 | Confident | 151 Ų | 151 | 66.6 Ų | 66.6 | 71% | 0.706 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 10.4 | 171.8 | -67.4 | 170.6 | 6.3 | 0 | 0 | 113.6 | S536 A537 Q538 C542 | S536-Q540 WeakPolarHBondContact O-CG 3.37Å; S536-Q540 PolarHBondContact O-N 3.09Å; S536-Q540 VanDerWaalsContact O-N 3.11Å; A537-Q540 CarbonylContact O-C 3.56Å; A537-Q540 PolarHBondContact O-N 3.36Å; Q538-Q540 PolarHBondContact O-N 3.02Å; Q540-C542 VanDerWaalsContact C-N 3.26Å; Q540-C542 PolarHBondContact O-N 3.5Å |
| 541 | N | 62.7 | Low | 72.1 | Confident | 138 Ų | 138 | 73 Ų | 73 | 74% | 0.738 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 31.8 | 179.5 | -68.6 | -50.2 | 0 | 0 | 0 | 114.6 | Q538 K539 L543 | Q538-N541 PolarHBondContact O-N 3.04Å; K539-N541 PolarHBondContact O-N 3.48Å; N541-L543 PolarHBondContact O-N 3.01Å |
| 542 | C | 62.9 | Low | 71.9 | Confident | 37 Ų | 37 | 73.7 Ų | 73.7 | 25% | 0.25 | 39% | 0.387 | C | S | . | . | trans | -68.1 | 95.5 | 178.8 | -167.9 | 0 | 0 | 0 | 0 | 111.3 | A537 Q540 S544 I545 | A537-C542 WeakPolarHBondContact O-CB 3.33Å; A537-C542 PolarHBondContact O-N 2.93Å; Q540-C542 VanDerWaalsContact C-N 3.26Å; Q540-C542 PolarHBondContact O-N 3.5Å; C542-S544 PolarHBondContact O-N 3.4Å; C542-S544 PolarHBondContact SG-OG 3.03Å; C542-I545 HydrophobicContact CB-CD1 3.9Å; C542-I545 HydrophobicContact CB-CG1 4.35Å; C542-I545 WeakPolarHBondContact O-CB 3.23Å; C542-I545 PolarHBondContact O-N 3.06Å | ||
| 543 | L | 61.5 | Low | 71.6 | Confident | 154 Ų | 154 | 71.6 Ų | 71.6 | 81% | 0.806 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -49.3 | -34.7 | -171.3 | -74.5 | 165 | 0 | 0 | 0 | 114.7 | N541 I545 R546 | N541-L543 PolarHBondContact O-N 3.01Å; L543-I545 PolarHBondContact O-N 3.46Å; L543-R546 PolarHBondContact O-N 3.06Å; L543-R546 VanDerWaalsContact O-N 3.15Å |
| 544 | S | 62.7 | Low | 71.7 | Confident | 54 Ų | 54 | 79.4 Ų | 79.4 | 38% | 0.378 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -61.7 | -19.7 | 178.1 | 49.4 | 0 | 0 | 0 | 0 | 114.5 | C542 H548 | C542-S544 PolarHBondContact O-N 3.4Å; C542-S544 PolarHBondContact SG-OG 3.03Å; S544-H548 PolarHBondContact O-ND1 3.26Å |
| 545 | I | 64.8 | Low | 71.8 | Confident | 8 Ų | 8 | 79 Ų | 79 | 4% | 0.041 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -69.8 | -37.2 | 174.6 | -67.3 | 170 | 0 | 0 | 0 | 111.3 | L498 A537 Q538 C542 L543 G547 H548 L549 | L498-I545 HydrophobicContact CD1-CG1 3.93Å; L498-I545 HydrophobicContact CD2-CG1 3.66Å; L498-I545 HydrophobicContact CG-CG1 4.47Å; A537-I545 VanDerWaalsContact C-CD1 3.44Å; A537-I545 HydrophobicContact CB-CD1 3.57Å; Q538-I545 HydrophobicContact CB-CD1 4.31Å; C542-I545 HydrophobicContact CB-CD1 3.9Å; C542-I545 HydrophobicContact CB-CG1 4.35Å; C542-I545 WeakPolarHBondContact O-CB 3.23Å; C542-I545 PolarHBondContact O-N 3.06Å; L543-I545 PolarHBondContact O-N 3.46Å; I545-G547 VanDerWaalsContact C-N 3.34Å; I545-G547 PolarHBondContact O-N 3.26Å; I545-H548 WeakPolarHBondContact O-CA 3.49Å; I545-H548 WeakPolarHBondContact O-CB 3.39Å; I545-H548 PolarHBondContact O-N 2.93Å; I545-L549 HydrophobicContact CG2-CD1 4.28Å; I545-L549 HydrophobicContact CG2-CD2 3.95Å; I545-L549 HydrophobicContact CG2-CG 3.9Å; I545-L549 PolarHBondContact O-N 3.03Å |
| 546 | R | 67.2 | Low | 72 | Confident | 203 Ų | 203 | 76.5 Ų | 76.5 | 77% | 0.766 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -63.6 | -36.5 | -165.7 | -162 | 171.3 | -172.8 | 155 | 2.8 | 113.5 | L543 H548 | L543-R546 PolarHBondContact O-N 3.06Å; L543-R546 VanDerWaalsContact O-N 3.15Å; R546-H548 VanDerWaalsContact C-N 3.3Å |
| 547 | G | 68.2 | Low | 72.2 | Confident | 55 Ų | 55 | 75.7 Ų | 75.7 | 57% | 0.567 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -75 | -15 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | I545 | I545-G547 VanDerWaalsContact C-N 3.34Å; I545-G547 PolarHBondContact O-N 3.26Å |
| 548 | H | 70.9 | Confident | 72.7 | Confident | 48 Ų | 48 | 80 Ų | 80 | 22% | 0.222 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -91.5 | -24.7 | 175.8 | -69.5 | 107.6 | 0 | 0 | 0 | 112.8 | S544 I545 R546 V550 K551 L552 | S544-H548 PolarHBondContact O-ND1 3.26Å; I545-H548 WeakPolarHBondContact O-CA 3.49Å; I545-H548 WeakPolarHBondContact O-CB 3.39Å; I545-H548 PolarHBondContact O-N 2.93Å; R546-H548 VanDerWaalsContact C-N 3.3Å; H548-V550 VanDerWaalsContact C-N 3.26Å; H548-V550 PolarHBondContact O-N 3.17Å; H548-K551 PolarHBondContact O-N 3.35Å; H548-L552 WeakPolarHBondContact O-CB 3.35Å; H548-L552 PolarHBondContact O-N 3.03Å |
| 549 | L | 73.4 | Confident | 73.2 | Confident | 31 Ų | 31 | 77.7 Ų | 77.7 | 16% | 0.162 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.6 | -34.6 | 177.1 | -68.7 | 178.3 | 0 | 0 | 0 | 113.5 | I545 L552 E553 I578 Y579 | I545-L549 HydrophobicContact CG2-CD1 4.28Å; I545-L549 HydrophobicContact CG2-CD2 3.95Å; I545-L549 HydrophobicContact CG2-CG 3.9Å; I545-L549 PolarHBondContact O-N 3.03Å; L549-L552 HydrophobicContact CD2-CD2 4.23Å; L549-L552 PolarHBondContact O-N 3.48Å; L549-E553 WeakPolarHBondContact O-CB 3.46Å; L549-E553 PolarHBondContact O-N 2.88Å; L549-I578 HydrophobicContact CD2-CG2 3.55Å; L549-Y579 HydrophobicContact CB-CE1 4.35Å; L549-Y579 PolarHBondContact O-OH 3.06Å |
| 550 | V | 74.6 | Confident | 73.7 | Confident | 101 Ų | 101 | 71.6 Ų | 71.6 | 61% | 0.612 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -71.2 | -35 | 176.8 | -176 | 0 | 0 | 0 | 0 | 111.7 | H548 R554 | H548-V550 VanDerWaalsContact C-N 3.26Å; H548-V550 PolarHBondContact O-N 3.17Å; V550-R554 PolarHBondContact O-N 3.21Å |
| 551 | K | 77.7 | Confident | 74.2 | Confident | 135 Ų | 135 | 69 Ų | 69 | 59% | 0.587 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -71.5 | -38 | 173.7 | -61.6 | -179.1 | -176.8 | 175.3 | 0 | 111.2 | H548 L555 | H548-K551 PolarHBondContact O-N 3.35Å; K551-L555 WeakPolarHBondContact O-CB 3.5Å; K551-L555 PolarHBondContact O-N 2.96Å; K551-L555 VanDerWaalsContact O-N 3.1Å |
| 552 | L | 80.3 | Confident | 75.2 | Confident | 14 Ų | 14 | 64.1 Ų | 64.1 | 7% | 0.073 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 175.1 | 176.8 | 60.9 | 0 | 0 | 0 | 111.2 | L504 H548 L549 R554 L555 L556 F574 I578 Y579 | L504-L552 HydrophobicContact CD2-CD1 3.61Å; H548-L552 WeakPolarHBondContact O-CB 3.35Å; H548-L552 PolarHBondContact O-N 3.03Å; L549-L552 HydrophobicContact CD2-CD2 4.23Å; L549-L552 PolarHBondContact O-N 3.48Å; L552-R554 VanDerWaalsContact C-N 3.35Å; L552-R554 PolarHBondContact O-N 2.88Å; L552-L555 HydrophobicContact CD1-CD2 4.31Å; L552-L555 CarbonylContact O-C 3.58Å; L552-L555 WeakPolarHBondContact O-CA 3.39Å; L552-L555 WeakPolarHBondContact O-CB 3.38Å; L552-L555 PolarHBondContact O-N 2.88Å; L552-L556 HydrophobicContact CD1-CD2 4.29Å; L552-L556 HydrophobicContact CD1-CG 4.24Å; L552-L556 HydrophobicContact CG-CD1 4.33Å; L552-L556 HydrophobicContact CG-CG 4.38Å; L552-L556 WeakPolarHBondContact O-CG 3.28Å; L552-L556 PolarHBondContact O-N 2.96Å; L552-F574 HydrophobicContact CD1-CD1 3.9Å; L552-F574 HydrophobicContact CD1-CE1 4.18Å; L552-F574 HydrophobicContact CD2-CD1 4.25Å; L552-I578 HydrophobicContact CD2-CD1 3.85Å; L552-I578 HydrophobicContact CD2-CG2 4.34Å; L552-Y579 HydrophobicContact CD2-CE2 4.28Å; L552-Y579 WeakPolarHBondContact CG-OH 3.46Å |
| 553 | E | 79.2 | Confident | 75.9 | Confident | 44 Ų | 44 | 68.2 Ų | 68.2 | 21% | 0.206 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -54.4 | -51.3 | 178.6 | -179.2 | -168.2 | 141.5 | 0 | 0 | 111.1 | L549 L555 L556 Y557 Y579 H583 P585 | L549-E553 WeakPolarHBondContact O-CB 3.46Å; L549-E553 PolarHBondContact O-N 2.88Å; E553-L555 VanDerWaalsContact C-N 3.31Å; E553-L555 PolarHBondContact O-N 3.27Å; E553-L556 WeakPolarHBondContact O-CB 3.44Å; E553-L556 PolarHBondContact O-N 3.24Å; E553-Y557 HydrophobicContact CG-CE2 4.5Å; E553-Y557 WeakPolarHBondContact O-CD2 3.24Å; E553-Y557 PolarHBondContact O-N 3.32Å; E553-Y557 VanDerWaalsContact O-N 3.09Å; E553-Y579 HydrophobicContact CB-CE1 4.47Å; E553-Y579 PolarHBondContact N-OH 3.48Å; E553-Y579 VanDerWaalsContact N-OH 3.11Å; E553-H583 IonicContact OE2-CE1 3.81Å; E553-H583 PolarHBondContact OE2-CE1 3.29Å; E553-H583 IonicContact OE2-NE2 3.71Å; E553-P585 HydrophobicContact CG-CB 4.11Å; E553-P585 WeakPolarHBondContact OE1-CB 3.33Å; E553-P585 WeakPolarHBondContact OE1-CG 3.4Å |
| 554 | R | 81.2 | Confident | 76.9 | Confident | 172 Ų | 172 | 62.2 Ų | 62.2 | 65% | 0.649 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -56.7 | -43.7 | 174.3 | 177.9 | 175.2 | 173.4 | 136.7 | 11.4 | 112.3 | V550 L552 L556 Y557 E558 | V550-R554 PolarHBondContact O-N 3.21Å; L552-R554 VanDerWaalsContact C-N 3.35Å; L552-R554 PolarHBondContact O-N 2.88Å; R554-L556 VanDerWaalsContact C-N 3.31Å; R554-L556 PolarHBondContact O-N 2.88Å; R554-Y557 WeakPolarHBondContact O-CB 3.37Å; R554-Y557 PolarHBondContact O-N 2.91Å; R554-E558 IonicContact CZ-OE1 3.64Å; R554-E558 VanDerWaalsContact CZ-OE1 3.31Å; R554-E558 IonicContact NE-OE1 3.64Å; R554-E558 PolarHBondContact NE-OE1 3.43Å; R554-E558 IonicContact NH2-OE1 3.39Å; R554-E558 PolarHBondContact NH2-OE1 3.1Å; R554-E558 WeakPolarHBondContact O-CG 3.36Å; R554-E558 PolarHBondContact O-N 3.09Å |
| 555 | L | 81.8 | Confident | 77.9 | Confident | 14 Ų | 14 | 61.4 Ų | 61.4 | 7% | 0.073 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.6 | -36.1 | 176.2 | 178.4 | 155.1 | 0 | 0 | 0 | 111.9 | P505 F508 K551 L552 E553 E558 N559 | P505-L555 HydrophobicContact CB-CD1 4.17Å; P505-L555 HydrophobicContact CG-CD1 3.82Å; F508-L555 HydrophobicContact CD1-CD2 4.4Å; F508-L555 HydrophobicContact CD2-CD1 4.45Å; F508-L555 HydrophobicContact CD2-CD2 3.55Å; F508-L555 HydrophobicContact CE1-CD2 4.34Å; F508-L555 HydrophobicContact CE2-CD2 3.47Å; F508-L555 VanDerWaalsContact CE2-CD2 3.47Å; F508-L555 HydrophobicContact CG-CD2 4.01Å; F508-L555 HydrophobicContact CZ-CD2 3.89Å; K551-L555 WeakPolarHBondContact O-CB 3.5Å; K551-L555 PolarHBondContact O-N 2.96Å; K551-L555 VanDerWaalsContact O-N 3.1Å; L552-L555 HydrophobicContact CD1-CD2 4.31Å; L552-L555 CarbonylContact O-C 3.58Å; L552-L555 WeakPolarHBondContact O-CA 3.39Å; L552-L555 WeakPolarHBondContact O-CB 3.38Å; L552-L555 PolarHBondContact O-N 2.88Å; E553-L555 VanDerWaalsContact C-N 3.31Å; E553-L555 PolarHBondContact O-N 3.27Å; L555-E558 PolarHBondContact O-N 2.97Å; L555-N559 WeakPolarHBondContact O-CB 3.4Å; L555-N559 PolarHBondContact O-N 3.12Å; L555-N559 PolarHBondContact O-ND2 3.39Å |
| 556 | L | 84.3 | Confident | 78.9 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.5 | -39.2 | 176.4 | -62.4 | 176.4 | 0 | 0 | 0 | 111.5 | F508 L552 E553 R554 N559 I560 A571 F574 A575 Y579 T586 L589 | F508-L556 HydrophobicContact CZ-CD2 4.3Å; L552-L556 HydrophobicContact CD1-CD2 4.29Å; L552-L556 HydrophobicContact CD1-CG 4.24Å; L552-L556 HydrophobicContact CG-CD1 4.33Å; L552-L556 HydrophobicContact CG-CG 4.38Å; L552-L556 WeakPolarHBondContact O-CG 3.28Å; L552-L556 PolarHBondContact O-N 2.96Å; E553-L556 WeakPolarHBondContact O-CB 3.44Å; E553-L556 PolarHBondContact O-N 3.24Å; R554-L556 VanDerWaalsContact C-N 3.31Å; R554-L556 PolarHBondContact O-N 2.88Å; L556-N559 PolarHBondContact O-N 3.14Å; L556-I560 PolarHBondContact O-N 2.83Å; L556-A571 HydrophobicContact CD2-CB 4.19Å; L556-F574 HydrophobicContact CD1-CB 3.99Å; L556-F574 HydrophobicContact CD2-CB 3.47Å; L556-F574 VanDerWaalsContact CD2-CB 3.47Å; L556-F574 HydrophobicContact CD2-CD1 4.28Å; L556-F574 HydrophobicContact CD2-CG 4.01Å; L556-F574 HydrophobicContact CG-CB 4.39Å; L556-A575 HydrophobicContact CD1-CB 4.42Å; L556-Y579 HydrophobicContact CD1-CE2 3.8Å; L556-T586 HydrophobicContact CD1-CG2 4.14Å; L556-L589 HydrophobicContact CB-CD1 3.81Å |
| 557 | Y | 80.1 | Confident | 79.9 | Confident | 34 Ų | 34 | 53 Ų | 53 | 13% | 0.133 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.4 | -49.6 | 169.2 | -88.6 | -90.9 | 0 | 0 | 0 | 111.9 | E553 R554 N559 I560 E561 P585 Y588 L589 | E553-Y557 HydrophobicContact CG-CE2 4.5Å; E553-Y557 WeakPolarHBondContact O-CD2 3.24Å; E553-Y557 PolarHBondContact O-N 3.32Å; E553-Y557 VanDerWaalsContact O-N 3.09Å; R554-Y557 WeakPolarHBondContact O-CB 3.37Å; R554-Y557 PolarHBondContact O-N 2.91Å; Y557-N559 PolarHBondContact O-N 3.39Å; Y557-I560 PolarHBondContact O-N 2.92Å; Y557-E561 PolarHBondContact O-N 3.42Å; Y557-P585 HydrophobicContact CE2-CB 4.16Å; Y557-P585 PolarHBondContact OH-O 3.38Å; Y557-Y588 HydrophobicContact CE1-CD1 4.04Å; Y557-Y588 HydrophobicContact CE1-CE1 4.49Å; Y557-Y588 WeakPolarHBondContact OH-CD1 3.3Å; Y557-L589 HydrophobicContact CD1-CD2 3.76Å; Y557-L589 HydrophobicContact CD2-CD1 3.75Å; Y557-L589 HydrophobicContact CD2-CD2 3.96Å; Y557-L589 HydrophobicContact CD2-CG 4.05Å; Y557-L589 HydrophobicContact CE1-CD2 3.77Å; Y557-L589 HydrophobicContact CE1-CG 4.25Å; Y557-L589 HydrophobicContact CE2-CD1 3.71Å; Y557-L589 HydrophobicContact CE2-CD2 3.95Å; Y557-L589 HydrophobicContact CE2-CG 3.69Å; Y557-L589 HydrophobicContact CG-CD1 4.39Å; Y557-L589 HydrophobicContact CG-CD2 3.85Å; Y557-L589 HydrophobicContact CG-CG 4.44Å |
| 558 | E | 82.8 | Confident | 80.9 | Confident | 97 Ų | 97 | 51.5 Ų | 51.5 | 45% | 0.453 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.7 | -25.7 | 179 | -71.3 | 169.9 | 176 | 0 | 0 | 112.4 | R554 L555 | R554-E558 IonicContact CZ-OE1 3.64Å; R554-E558 VanDerWaalsContact CZ-OE1 3.31Å; R554-E558 IonicContact NE-OE1 3.64Å; R554-E558 PolarHBondContact NE-OE1 3.43Å; R554-E558 IonicContact NH2-OE1 3.39Å; R554-E558 PolarHBondContact NH2-OE1 3.1Å; R554-E558 WeakPolarHBondContact O-CG 3.36Å; R554-E558 PolarHBondContact O-N 3.09Å; L555-E558 PolarHBondContact O-N 2.97Å |
| 559 | N | 83.2 | Confident | 81.7 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.027 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -95.1 | -13 | 176.9 | -74.6 | -84 | 0 | 0 | 0 | 115.2 | F508 L555 L556 Y557 K562 S567 A571 | F508-N559 WeakPolarHBondContact CB-OD1 3.42Å; F508-N559 HydrophobicContact CD1-CB 3.86Å; F508-N559 WeakPolarHBondContact CD1-OD1 3.36Å; F508-N559 HydrophobicContact CE1-CB 4.1Å; L555-N559 WeakPolarHBondContact O-CB 3.4Å; L555-N559 PolarHBondContact O-N 3.12Å; L555-N559 PolarHBondContact O-ND2 3.39Å; L556-N559 PolarHBondContact O-N 3.14Å; Y557-N559 PolarHBondContact O-N 3.39Å; N559-K562 HydrophobicContact CB-CD 4.45Å; N559-K562 VanDerWaalsContact OD1-CD 3.24Å; N559-K562 WeakPolarHBondContact OD1-CD 3.13Å; N559-K562 VanDerWaalsContact OD1-CE 3.26Å; N559-K562 WeakPolarHBondContact OD1-CE 3.33Å; N559-K562 PolarHBondContact OD1-NZ 3.43Å; N559-S567 PolarHBondContact O-OG 2.84Å; N559-S567 PolarHBondContact OD1-OG 3.45Å; N559-A571 HydrophobicContact CB-CB 4.46Å |
| 560 | I | 80.5 | Confident | 82.5 | Confident | 9 Ų | 9 | 48.3 Ų | 48.3 | 5% | 0.046 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -82.6 | -26.8 | 169.6 | -141.9 | 167.6 | 0 | 0 | 0 | 112.4 | L556 Y557 K562 R568 V572 L589 A593 | L556-I560 PolarHBondContact O-N 2.83Å; Y557-I560 PolarHBondContact O-N 2.92Å; I560-K562 PolarHBondContact O-N 3.36Å; I560-R568 HydrophobicContact CG1-CB 4.38Å; I560-R568 HydrophobicContact CG1-CG 4.39Å; I560-R568 WeakPolarHBondContact O-CD 3.46Å; I560-V572 HydrophobicContact CD1-CG2 4.31Å; I560-L589 HydrophobicContact CB-CD2 4.14Å; I560-L589 HydrophobicContact CD1-CB 4.19Å; I560-L589 HydrophobicContact CD1-CD2 3.92Å; I560-L589 HydrophobicContact CG2-CD2 3.57Å; I560-A593 HydrophobicContact CD1-CB 4.42Å |
| 561 | E | 78.9 | Confident | 83.1 | Confident | 95 Ų | 95 | 43.5 Ų | 43.5 | 44% | 0.444 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -74.5 | -11.4 | 172.4 | -68.5 | -165.1 | 172.8 | 0 | 0 | 112.7 | Y557 H641 K644 | Y557-E561 PolarHBondContact O-N 3.42Å; E561-H641 IonicContact OE1-CE1 2.74Å; E561-H641 IonicContact OE1-ND1 2.83Å; E561-H641 PolarHBondContact OE1-ND1 3.07Å; E561-K644 IonicContact OE1-NZ 3.54Å; E561-K644 PolarHBondContact OE1-NZ 3.22Å; E561-K644 IonicContact OE2-NZ 2.66Å; E561-K644 PolarHBondContact OE2-NZ 2.84Å |
| 562 | K | 82.8 | Confident | 83.6 | Confident | 36 Ų | 36 | 37.1 Ų | 37.1 | 16% | 0.157 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -71.4 | 142.5 | 179.3 | -76.9 | 176 | 176.4 | -175.5 | 0 | 112.9 | D509 S512 N559 I560 D564 S567 R568 | D509-K562 IonicContact OD1-NZ 3.86Å; D509-K562 PolarHBondContact OD1-NZ 3.42Å; S512-K562 WeakPolarHBondContact OG-CE 3.4Å; S512-K562 PolarHBondContact OG-NZ 3.34Å; N559-K562 HydrophobicContact CB-CD 4.45Å; N559-K562 VanDerWaalsContact OD1-CD 3.24Å; N559-K562 WeakPolarHBondContact OD1-CD 3.13Å; N559-K562 VanDerWaalsContact OD1-CE 3.26Å; N559-K562 WeakPolarHBondContact OD1-CE 3.33Å; N559-K562 PolarHBondContact OD1-NZ 3.43Å; I560-K562 PolarHBondContact O-N 3.36Å; K562-D564 PolarHBondContact O-N 2.7Å; K562-S567 WeakPolarHBondContact CD-OG 3.49Å; K562-R568 WeakPolarHBondContact O-CD 3.38Å; K562-R568 WeakPolarHBondContact O-CG 3.22Å; K562-R568 PolarHBondContact O-NH1 2.96Å |
| 563 | P | 78.6 | Confident | 84 | Confident | 123 Ų | 123 | 37.5 Ų | 37.5 | 80% | 0.799 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -72.5 | -23.6 | -176.9 | 29.4 | -35.8 | 0 | 0 | 0 | 114 | R568 | P563-R568 PolarHBondContact O-NH1 3.28Š|
| 564 | D | 82.9 | Confident | 84.4 | Confident | 28 Ų | 28 | 35.4 Ų | 35.4 | 15% | 0.15 | 17% | 0.173 | C | C | . | . | trans | -68.4 | 126.3 | 178.4 | -173 | 107.3 | 0 | 0 | 0 | 111.5 | K520 K562 L566 S567 R568 | K520-D564 IonicContact NZ-OD1 2.68Å; K520-D564 PolarHBondContact NZ-OD1 3.18Å; K562-D564 PolarHBondContact O-N 2.7Å; D564-L566 VanDerWaalsContact C-N 3.34Å; D564-L566 PolarHBondContact O-N 2.82Å; D564-L566 WeakPolarHBondContact OD2-CA 3.43Å; D564-L566 VanDerWaalsContact OD2-CB 3.28Å; D564-L566 WeakPolarHBondContact OD2-CB 3.36Å; D564-L566 PolarHBondContact OD2-N 3.16Å; D564-S567 WeakPolarHBondContact O-CB 3.25Å; D564-S567 PolarHBondContact O-N 2.85Å; D564-S567 PolarHBondContact OD2-N 2.99Å; D564-R568 PolarHBondContact O-N 3.46Å; D564-R568 PolarHBondContact O-NH1 2.95Å | ||
| 565 | P | 83.3 | Confident | 84.6 | Confident | 38 Ų | 38 | 27.2 Ų | 27.2 | 25% | 0.247 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -71.7 | -24.1 | -176.3 | 29.1 | -34.7 | 0 | 0 | 0 | 113.6 | L569 D598 | P565-L569 WeakPolarHBondContact O-CB 3.19Å; P565-L569 PolarHBondContact O-N 3.37Å; P565-D598 HydrophobicContact CB-CB 4.14Å; P565-D598 VanDerWaalsContact CB-OD2 3.32Å; P565-D598 WeakPolarHBondContact CB-OD2 3.14Å |
| 566 | L | 85.7 | Confident | 84.5 | Confident | 34 Ų | 34 | 27.1 Ų | 27.1 | 18% | 0.178 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -71.7 | -37.5 | 175.4 | -59.2 | 176.8 | 0 | 0 | 0 | 110.5 | K520 D564 L569 V570 | K520-L566 HydrophobicContact CB-CD1 4.16Å; D564-L566 VanDerWaalsContact C-N 3.34Å; D564-L566 PolarHBondContact O-N 2.82Å; D564-L566 WeakPolarHBondContact OD2-CA 3.43Å; D564-L566 VanDerWaalsContact OD2-CB 3.28Å; D564-L566 WeakPolarHBondContact OD2-CB 3.36Å; D564-L566 PolarHBondContact OD2-N 3.16Å; L566-L569 PolarHBondContact O-N 2.96Å; L566-V570 WeakPolarHBondContact O-CB 3.49Å; L566-V570 VanDerWaalsContact O-CG2 3.32Å; L566-V570 WeakPolarHBondContact O-CG2 3.42Å; L566-V570 PolarHBondContact O-N 3.4Å |
| 567 | S | 88.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -54.6 | -52.3 | 171.8 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | N559 K562 D564 V570 A571 | N559-S567 PolarHBondContact O-OG 2.84Å; N559-S567 PolarHBondContact OD1-OG 3.45Å; K562-S567 WeakPolarHBondContact CD-OG 3.49Å; D564-S567 WeakPolarHBondContact O-CB 3.25Å; D564-S567 PolarHBondContact O-N 2.85Å; D564-S567 PolarHBondContact OD2-N 2.99Å; S567-V570 PolarHBondContact O-N 2.93Å; S567-A571 PolarHBondContact O-N 2.66Å |
| 568 | R | 89.1 | Confident | 84.5 | Confident | 24 Ų | 24 | 28.6 Ų | 28.6 | 9% | 0.091 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66 | -41.8 | 179.8 | -56.4 | -161.7 | -60.8 | -70.6 | -3.2 | 112.2 | I560 K562 P563 D564 V570 A571 V572 D596 V601 | I560-R568 HydrophobicContact CG1-CB 4.38Å; I560-R568 HydrophobicContact CG1-CG 4.39Å; I560-R568 WeakPolarHBondContact O-CD 3.46Å; K562-R568 WeakPolarHBondContact O-CD 3.38Å; K562-R568 WeakPolarHBondContact O-CG 3.22Å; K562-R568 PolarHBondContact O-NH1 2.96Å; P563-R568 PolarHBondContact O-NH1 3.28Å; D564-R568 PolarHBondContact O-N 3.46Å; D564-R568 PolarHBondContact O-NH1 2.95Å; R568-V570 VanDerWaalsContact C-N 3.35Å; R568-V570 PolarHBondContact O-N 2.71Å; R568-A571 WeakPolarHBondContact O-CB 3.42Å; R568-A571 PolarHBondContact O-N 3.33Å; R568-A571 VanDerWaalsContact O-N 3.16Å; R568-V572 WeakPolarHBondContact O-CG2 3.44Å; R568-V572 PolarHBondContact O-N 3.09Å; R568-D596 IonicContact CZ-OD1 2.7Å; R568-D596 IonicContact CZ-OD2 3.51Å; R568-D596 IonicContact NE-OD1 3.84Å; R568-D596 PolarHBondContact NE-OD1 3.5Å; R568-D596 IonicContact NE-OD2 2.67Å; R568-D596 PolarHBondContact NE-OD2 3.05Å; R568-D596 IonicContact NH2-OD1 3.48Å; R568-D596 PolarHBondContact NH2-OD1 3.43Å; R568-D596 IonicContact NH2-OD2 3.38Å; R568-V601 HydrophobicContact CB-CG1 4.45Å; R568-V601 HydrophobicContact CB-CG2 4.33Å |
| 569 | L | 88.2 | Confident | 84.4 | Confident | 10 Ų | 10 | 24.5 Ų | 24.5 | 5% | 0.052 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.2 | -39.3 | 178.5 | -174.7 | 59.9 | 0 | 0 | 0 | 112.7 | R528 P565 L566 N573 R600 V601 E604 | R528-L569 VanDerWaalsContact NH2-CD2 3.31Å; P565-L569 WeakPolarHBondContact O-CB 3.19Å; P565-L569 PolarHBondContact O-N 3.37Å; L566-L569 PolarHBondContact O-N 2.96Å; L569-N573 PolarHBondContact O-N 3.38Å; L569-R600 HydrophobicContact CD1-CB 4.39Å; L569-R600 WeakPolarHBondContact CD1-O 3.48Å; L569-R600 HydrophobicContact CD2-CB 4.23Å; L569-V601 HydrophobicContact CB-CG2 3.89Å; L569-V601 HydrophobicContact CD1-CG2 4.24Å; L569-E604 HydrophobicContact CD1-CB 3.74Å; L569-E604 HydrophobicContact CD1-CG 4.14Å |
| 570 | V | 88.7 | Confident | 83.8 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.9 | -39.6 | 173.6 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | F508 L511 A524 L527 L566 S567 R568 V572 N573 F574 | F508-V570 HydrophobicContact CE1-CB 4.23Å; F508-V570 HydrophobicContact CE1-CG1 3.7Å; F508-V570 HydrophobicContact CZ-CG1 3.69Å; L511-V570 HydrophobicContact CD1-CG2 4.31Å; A524-V570 HydrophobicContact CB-CG2 3.92Å; L527-V570 HydrophobicContact CB-CG1 3.79Å; L527-V570 HydrophobicContact CD1-CG1 4.13Å; L566-V570 WeakPolarHBondContact O-CB 3.49Å; L566-V570 VanDerWaalsContact O-CG2 3.32Å; L566-V570 WeakPolarHBondContact O-CG2 3.42Å; L566-V570 PolarHBondContact O-N 3.4Å; S567-V570 PolarHBondContact O-N 2.93Å; R568-V570 VanDerWaalsContact C-N 3.35Å; R568-V570 PolarHBondContact O-N 2.71Å; V570-V572 PolarHBondContact O-N 2.94Å; V570-N573 PolarHBondContact O-N 3.01Å; V570-F574 HydrophobicContact CG1-CD2 3.74Å; V570-F574 HydrophobicContact CG1-CE2 3.66Å; V570-F574 WeakPolarHBondContact O-CD2 3.4Å; V570-F574 PolarHBondContact O-N 3.23Å |
| 571 | A | 88.9 | Confident | 82.8 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.6 | -41.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | L556 N559 S567 R568 F574 A575 | L556-A571 HydrophobicContact CD2-CB 4.19Å; N559-A571 HydrophobicContact CB-CB 4.46Å; S567-A571 PolarHBondContact O-N 2.66Å; R568-A571 WeakPolarHBondContact O-CB 3.42Å; R568-A571 PolarHBondContact O-N 3.33Å; R568-A571 VanDerWaalsContact O-N 3.16Å; A571-F574 PolarHBondContact O-N 3.11Å; A571-A575 WeakPolarHBondContact O-CB 3.46Å; A571-A575 PolarHBondContact O-N 3.21Å |
| 572 | V | 87 | Confident | 81.7 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.1 | -43.6 | 175.5 | 177.4 | 0 | 0 | 0 | 0 | 111.7 | I560 R568 V570 F574 A575 G576 A593 V601 E604 A605 | I560-V572 HydrophobicContact CD1-CG2 4.31Å; R568-V572 WeakPolarHBondContact O-CG2 3.44Å; R568-V572 PolarHBondContact O-N 3.09Å; V570-V572 PolarHBondContact O-N 2.94Å; V572-F574 PolarHBondContact O-N 2.94Å; V572-A575 PolarHBondContact O-N 3.48Å; V572-G576 PolarHBondContact O-N 3.49Å; V572-A593 HydrophobicContact CG1-CB 4.41Å; V572-A593 HydrophobicContact CG2-CB 3.32Å; V572-V601 HydrophobicContact CG2-CG1 4.13Å; V572-E604 HydrophobicContact CB-CG 4.27Å; V572-E604 HydrophobicContact CG1-CB 4.15Å; V572-E604 HydrophobicContact CG1-CG 3.77Å; V572-A605 HydrophobicContact CG1-CB 4.1Å |
| 573 | N | 88.2 | Confident | 81.1 | Confident | 21 Ų | 21 | 30.5 Ų | 30.5 | 11% | 0.112 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.2 | -42.7 | 177.2 | -178.5 | -105.5 | 0 | 0 | 0 | 112.1 | L569 V570 L577 E604 | L569-N573 PolarHBondContact O-N 3.38Å; V570-N573 PolarHBondContact O-N 3.01Å; N573-L577 WeakPolarHBondContact O-CB 3.36Å; N573-L577 VanDerWaalsContact O-CG 3.29Å; N573-L577 WeakPolarHBondContact O-CG 3.26Å; N573-L577 PolarHBondContact O-N 3.23Å; N573-L577 VanDerWaalsContact O-N 3.07Å; N573-E604 HydrophobicContact CB-CG 4.47Å; N573-E604 WeakPolarHBondContact CB-OE1 3.35Å; N573-E604 PolarHBondContact ND2-OE1 3.39Å |
| 574 | F | 88.1 | Confident | 80.1 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 172.3 | -90.2 | -113.2 | 0 | 0 | 0 | 112.3 | L504 F508 L527 A531 L534 L552 L556 V570 A571 V572 G576 L577 I578 | L504-F574 HydrophobicContact CD2-CE1 4.44Å; F508-F574 HydrophobicContact CE2-CZ 4.32Å; F508-F574 HydrophobicContact CZ-CD2 4.32Å; F508-F574 HydrophobicContact CZ-CE2 4.2Å; F508-F574 HydrophobicContact CZ-CZ 4.43Å; L527-F574 HydrophobicContact CB-CE2 4.04Å; L527-F574 HydrophobicContact CB-CZ 4.36Å; L527-F574 HydrophobicContact CD2-CE2 4.39Å; L527-F574 HydrophobicContact CD2-CZ 4.01Å; L527-F574 WeakPolarHBondContact O-CE2 3.32Å; L527-F574 VanDerWaalsContact O-CZ 3.28Å; L527-F574 WeakPolarHBondContact O-CZ 3.4Å; A531-F574 HydrophobicContact CB-CD1 4.31Å; A531-F574 HydrophobicContact CB-CD2 3.78Å; A531-F574 HydrophobicContact CB-CE1 4.22Å; A531-F574 HydrophobicContact CB-CE2 3.7Å; A531-F574 HydrophobicContact CB-CG 4.09Å; A531-F574 HydrophobicContact CB-CZ 3.93Å; L534-F574 HydrophobicContact CD1-CE1 4.23Å; L552-F574 HydrophobicContact CD1-CD1 3.9Å; L552-F574 HydrophobicContact CD1-CE1 4.18Å; L552-F574 HydrophobicContact CD2-CD1 4.25Å; L556-F574 HydrophobicContact CD1-CB 3.99Å; L556-F574 HydrophobicContact CD2-CB 3.47Å; L556-F574 VanDerWaalsContact CD2-CB 3.47Å; L556-F574 HydrophobicContact CD2-CD1 4.28Å; L556-F574 HydrophobicContact CD2-CG 4.01Å; L556-F574 HydrophobicContact CG-CB 4.39Å; V570-F574 HydrophobicContact CG1-CD2 3.74Å; V570-F574 HydrophobicContact CG1-CE2 3.66Å; V570-F574 WeakPolarHBondContact O-CD2 3.4Å; V570-F574 PolarHBondContact O-N 3.23Å; A571-F574 PolarHBondContact O-N 3.11Å; V572-F574 PolarHBondContact O-N 2.94Å; F574-G576 PolarHBondContact O-N 3.45Å; F574-L577 PolarHBondContact O-N 3.45Å; F574-I578 HydrophobicContact CB-CD1 4.38Å; F574-I578 HydrophobicContact CD1-CD1 3.43Å; F574-I578 VanDerWaalsContact CD1-CD1 3.43Å; F574-I578 HydrophobicContact CE1-CD1 3.98Å; F574-I578 HydrophobicContact CG-CD1 4.11Å; F574-I578 WeakPolarHBondContact O-CB 3.46Å; F574-I578 PolarHBondContact O-N 3.06Å |
| 575 | A | 84.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.9 | -41.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L556 A571 V572 T586 I590 | L556-A575 HydrophobicContact CD1-CB 4.42Å; A571-A575 WeakPolarHBondContact O-CB 3.46Å; A571-A575 PolarHBondContact O-N 3.21Å; V572-A575 PolarHBondContact O-N 3.48Å; A575-T586 HydrophobicContact CB-CG2 3.7Å; A575-I590 HydrophobicContact CB-CD1 4.47Å; A575-I590 HydrophobicContact CB-CG1 4.32Å |
| 576 | G | 81.3 | Confident | 78.6 | Confident | 13 Ų | 13 | 26.1 Ų | 26.1 | 13% | 0.134 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -71.4 | -40.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | V572 F574 | V572-G576 PolarHBondContact O-N 3.49Å; F574-G576 PolarHBondContact O-N 3.45Å |
| 577 | L | 83.5 | Confident | 77.8 | Confident | 63 Ų | 63 | 25.6 Ų | 25.6 | 33% | 0.33 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -82.6 | -42 | -174.2 | -70.9 | 174 | 0 | 0 | 0 | 114.5 | A531 V532 H535 N573 F574 | A531-L577 HydrophobicContact CB-CD1 4.19Å; V532-L577 HydrophobicContact CG2-CD1 4.42Å; H535-L577 PolarHBondContact CE1-O 3.42Å; H535-L577 VanDerWaalsContact CE1-O 3.22Å; H535-L577 PolarHBondContact ND1-O 3.45Å; N573-L577 WeakPolarHBondContact O-CB 3.36Å; N573-L577 VanDerWaalsContact O-CG 3.29Å; N573-L577 WeakPolarHBondContact O-CG 3.26Å; N573-L577 PolarHBondContact O-N 3.23Å; N573-L577 VanDerWaalsContact O-N 3.07Å; F574-L577 PolarHBondContact O-N 3.45Å |
| 578 | I | 80.7 | Confident | 76.6 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -88 | -34.5 | -165.4 | -64.8 | 174 | 0 | 0 | 0 | 112 | A531 L534 Q538 L549 L552 F574 | A531-I578 HydrophobicContact CB-CD1 4.35Å; L534-I578 HydrophobicContact CB-CD1 4.29Å; L534-I578 HydrophobicContact CD1-CD1 4.35Å; Q538-I578 PolarHBondContact NE2-O 3.11Å; Q538-I578 PolarHBondContact OE1-O 3.07Å; L549-I578 HydrophobicContact CD2-CG2 3.55Å; L552-I578 HydrophobicContact CD2-CD1 3.85Å; L552-I578 HydrophobicContact CD2-CG2 4.34Å; F574-I578 HydrophobicContact CB-CD1 4.38Å; F574-I578 HydrophobicContact CD1-CD1 3.43Å; F574-I578 VanDerWaalsContact CD1-CD1 3.43Å; F574-I578 HydrophobicContact CE1-CD1 3.98Å; F574-I578 HydrophobicContact CG-CD1 4.11Å; F574-I578 WeakPolarHBondContact O-CB 3.46Å; F574-I578 PolarHBondContact O-N 3.06Å |
| 579 | Y | 80 | Confident | 75.8 | Confident | 11 Ų | 11 | 25.4 Ų | 25.4 | 4% | 0.043 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -98.8 | 139.4 | -171.8 | -63.1 | -96.7 | 0 | 0 | 0 | 111.2 | L549 L552 E553 L556 H583 T586 R587 | L549-Y579 HydrophobicContact CB-CE1 4.35Å; L549-Y579 PolarHBondContact O-OH 3.06Å; L552-Y579 HydrophobicContact CD2-CE2 4.28Å; L552-Y579 WeakPolarHBondContact CG-OH 3.46Å; E553-Y579 HydrophobicContact CB-CE1 4.47Å; E553-Y579 PolarHBondContact N-OH 3.48Å; E553-Y579 VanDerWaalsContact N-OH 3.11Å; L556-Y579 HydrophobicContact CD1-CE2 3.8Å; Y579-H583 HydrophobicContact CD1-CB 4.4Å; Y579-H583 AromaticContact CD1-CD2 3.93Å; Y579-H583 AromaticContact CD1-CE1 3.39Å; Y579-H583 WeakPolarHBondContact CD1-CE1 3.41Å; Y579-H583 AromaticContact CD1-CG 3.63Å; Y579-H583 AromaticContact CD1-ND1 3.28Å; Y579-H583 VanDerWaalsContact CD1-ND1 3.28Å; Y579-H583 WeakPolarHBondContact CD1-ND1 3.49Å; Y579-H583 AromaticContact CD1-NE2 3.78Å; Y579-H583 AromaticContact CE1-CE1 3.59Å; Y579-H583 AromaticContact CE1-ND1 3.93Å; Y579-H583 AromaticContact CG-ND1 3.95Å; Y579-T586 WeakPolarHBondContact CB-OG1 3.37Å; Y579-T586 HydrophobicContact CD1-CG2 4.43Å; Y579-T586 HydrophobicContact CD2-CG2 3.69Å; Y579-T586 HydrophobicContact CE2-CG2 3.92Å; Y579-T586 HydrophobicContact CG-CG2 3.97Å; Y579-R587 PolarHBondContact O-NH2 3.19Å |
| 580 | P | 69.9 | Low | 75.1 | Confident | 67 Ų | 67 | 25 Ų | 25 | 44% | 0.435 | 14% | 0.14 | S | C | . | . | trans | -70.8 | 161.3 | 176.6 | 32.8 | -37 | 0 | 0 | 0 | 111.6 | D582 H583 R587 | P580-D582 WeakPolarHBondContact CB-OD1 3.48Å; P580-D582 WeakPolarHBondContact CG-OD1 3.36Å; P580-D582 PolarHBondContact O-N 2.92Å; P580-H583 HydrophobicContact CG-CB 4.37Å; P580-H583 VanDerWaalsContact O-CB 3.28Å; P580-H583 WeakPolarHBondContact O-CB 3.34Å; P580-H583 PolarHBondContact O-N 2.82Å; P580-R587 VanDerWaalsContact C-NH2 3.26Å; P580-R587 PolarHBondContact O-NH2 3.3Å | ||
| 581 | S | 59.8 | Low | 74 | Confident | 54 Ų | 54 | 25.2 Ų | 25.2 | 38% | 0.378 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -30.9 | -169.5 | 42.2 | 0 | 0 | 0 | 0 | 113.7 | H583 R587 F612 | S581-H583 VanDerWaalsContact C-N 3.28Å; S581-H583 PolarHBondContact O-N 3.14Å; S581-R587 WeakPolarHBondContact O-CD 3.32Å; S581-R587 PolarHBondContact O-NE 3.41Å; S581-R587 VanDerWaalsContact O-NE 3.08Å; S581-F612 WeakPolarHBondContact O-CE2 3.47Å |
| 582 | D | 57 | Low | 73.1 | Confident | 98 Ų | 98 | 26.8 Ų | 26.8 | 52% | 0.524 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -11.8 | 175.7 | 63.5 | -48.4 | 0 | 0 | 0 | 114.9 | P580 I584 | P580-D582 WeakPolarHBondContact CB-OD1 3.48Å; P580-D582 WeakPolarHBondContact CG-OD1 3.36Å; P580-D582 PolarHBondContact O-N 2.92Å; D582-I584 PolarHBondContact O-N 2.79Å |
| 583 | H | 68.4 | Low | 72.4 | Confident | 51 Ų | 51 | 26.8 Ų | 26.8 | 24% | 0.236 | 15% | 0.148 | C | C | . | . | trans | -77.1 | 83.5 | -172.8 | -163.8 | -91.9 | 0 | 0 | 0 | 113.8 | E553 Y579 P580 S581 P585 T586 R587 | E553-H583 IonicContact OE2-CE1 3.81Å; E553-H583 PolarHBondContact OE2-CE1 3.29Å; E553-H583 IonicContact OE2-NE2 3.71Å; Y579-H583 HydrophobicContact CD1-CB 4.4Å; Y579-H583 AromaticContact CD1-CD2 3.93Å; Y579-H583 AromaticContact CD1-CE1 3.39Å; Y579-H583 WeakPolarHBondContact CD1-CE1 3.41Å; Y579-H583 AromaticContact CD1-CG 3.63Å; Y579-H583 AromaticContact CD1-ND1 3.28Å; Y579-H583 VanDerWaalsContact CD1-ND1 3.28Å; Y579-H583 WeakPolarHBondContact CD1-ND1 3.49Å; Y579-H583 AromaticContact CD1-NE2 3.78Å; Y579-H583 AromaticContact CE1-CE1 3.59Å; Y579-H583 AromaticContact CE1-ND1 3.93Å; Y579-H583 AromaticContact CG-ND1 3.95Å; P580-H583 HydrophobicContact CG-CB 4.37Å; P580-H583 VanDerWaalsContact O-CB 3.28Å; P580-H583 WeakPolarHBondContact O-CB 3.34Å; P580-H583 PolarHBondContact O-N 2.82Å; S581-H583 VanDerWaalsContact C-N 3.28Å; S581-H583 PolarHBondContact O-N 3.14Å; H583-P585 VanDerWaalsContact C-CD 3.47Å; H583-P585 VanDerWaalsContact O-N 3.15Å; H583-T586 PolarHBondContact ND1-OG1 3.21Å; H583-T586 PolarHBondContact O-N 2.94Å; H583-T586 PolarHBondContact O-OG1 3.35Å; H583-R587 PolarHBondContact O-N 3.27Å | ||
| 584 | I | 58.7 | Low | 71.2 | Confident | 66 Ų | 66 | 26.4 Ų | 26.4 | 34% | 0.338 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -42.9 | -49.2 | -171.6 | -55.7 | 167.4 | 0 | 0 | 0 | 114.8 | D582 T586 R587 Y588 P629 | D582-I584 PolarHBondContact O-N 2.79Å; I584-T586 VanDerWaalsContact C-N 3.33Å; I584-T586 PolarHBondContact O-N 3.42Å; I584-R587 PolarHBondContact O-N 3.4Å; I584-Y588 PolarHBondContact O-N 2.88Å; I584-Y588 VanDerWaalsContact O-N 3.08Å; I584-P629 HydrophobicContact CD1-CB 4.14Å; I584-P629 HydrophobicContact CD1-CG 4.23Å; I584-P629 HydrophobicContact CG2-CG 4.09Å |
| 585 | P | 64.6 | Low | 69.9 | Low | 31 Ų | 31 | 26.5 Ų | 26.5 | 20% | 0.201 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.9 | -36.8 | -174.7 | -25.3 | 35.5 | 0 | 0 | 0 | 114.2 | E553 Y557 H583 L589 | E553-P585 HydrophobicContact CG-CB 4.11Å; E553-P585 WeakPolarHBondContact OE1-CB 3.33Å; E553-P585 WeakPolarHBondContact OE1-CG 3.4Å; Y557-P585 HydrophobicContact CE2-CB 4.16Å; Y557-P585 PolarHBondContact OH-O 3.38Å; H583-P585 VanDerWaalsContact C-CD 3.47Å; H583-P585 VanDerWaalsContact O-N 3.15Å; P585-L589 PolarHBondContact O-N 2.94Å |
| 586 | T | 70.4 | Confident | 69.2 | Low | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -82.2 | -17.7 | 176.9 | 28.8 | 0 | 0 | 0 | 0 | 113 | L556 A575 Y579 H583 I584 L589 I590 | L556-T586 HydrophobicContact CD1-CG2 4.14Å; A575-T586 HydrophobicContact CB-CG2 3.7Å; Y579-T586 WeakPolarHBondContact CB-OG1 3.37Å; Y579-T586 HydrophobicContact CD1-CG2 4.43Å; Y579-T586 HydrophobicContact CD2-CG2 3.69Å; Y579-T586 HydrophobicContact CE2-CG2 3.92Å; Y579-T586 HydrophobicContact CG-CG2 3.97Å; H583-T586 PolarHBondContact ND1-OG1 3.21Å; H583-T586 PolarHBondContact O-N 2.94Å; H583-T586 PolarHBondContact O-OG1 3.35Å; I584-T586 VanDerWaalsContact C-N 3.33Å; I584-T586 PolarHBondContact O-N 3.42Å; T586-L589 HydrophobicContact CG2-CD1 3.98Å; T586-I590 WeakPolarHBondContact O-CD1 3.33Å; T586-I590 WeakPolarHBondContact O-CG1 3.48Å; T586-I590 PolarHBondContact O-N 3.48Å; T586-I590 VanDerWaalsContact O-N 3.16Å |
| 587 | R | 67.6 | Low | 68.7 | Low | 23 Ų | 23 | 33.2 Ų | 33.2 | 9% | 0.087 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -72.4 | -36.4 | 167.9 | -54 | -59.2 | 145.5 | -151.6 | -13.4 | 112 | Y579 P580 S581 H583 I584 L589 I590 L591 F612 | Y579-R587 PolarHBondContact O-NH2 3.19Å; P580-R587 VanDerWaalsContact C-NH2 3.26Å; P580-R587 PolarHBondContact O-NH2 3.3Å; S581-R587 WeakPolarHBondContact O-CD 3.32Å; S581-R587 PolarHBondContact O-NE 3.41Å; S581-R587 VanDerWaalsContact O-NE 3.08Å; H583-R587 PolarHBondContact O-N 3.27Å; I584-R587 PolarHBondContact O-N 3.4Å; R587-L589 VanDerWaalsContact C-N 3.35Å; R587-I590 PolarHBondContact O-N 3.37Å; R587-L591 PolarHBondContact O-N 3.25Å; R587-F612 HydrophobicContact CG-CE2 4.12Å |
| 588 | Y | 64 | Low | 68.5 | Low | 18 Ų | 18 | 31.2 Ų | 31.2 | 7% | 0.071 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.1 | -42.5 | 170.4 | -176.9 | -98.6 | 0 | 0 | 0 | 111.6 | Y557 I584 I590 L591 Q592 D638 | Y557-Y588 HydrophobicContact CE1-CD1 4.04Å; Y557-Y588 HydrophobicContact CE1-CE1 4.49Å; Y557-Y588 WeakPolarHBondContact OH-CD1 3.3Å; I584-Y588 PolarHBondContact O-N 2.88Å; I584-Y588 VanDerWaalsContact O-N 3.08Å; Y588-I590 VanDerWaalsContact C-N 3.34Å; Y588-I590 PolarHBondContact O-N 2.76Å; Y588-L591 PolarHBondContact O-N 2.96Å; Y588-Q592 WeakPolarHBondContact O-CB 3.32Å; Y588-Q592 PolarHBondContact O-N 3.44Å; Y588-D638 HydrophobicContact CE2-CB 4.12Å; Y588-D638 WeakPolarHBondContact CE2-OD1 3.47Å; Y588-D638 PolarHBondContact OH-OD1 3.34Å |
| 589 | L | 72.5 | Confident | 68.1 | Low | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.4 | -40.3 | 174.1 | -68.5 | 175.3 | 0 | 0 | 0 | 113.1 | L556 Y557 I560 P585 T586 R587 A593 | L556-L589 HydrophobicContact CB-CD1 3.81Å; Y557-L589 HydrophobicContact CD1-CD2 3.76Å; Y557-L589 HydrophobicContact CD2-CD1 3.75Å; Y557-L589 HydrophobicContact CD2-CD2 3.96Å; Y557-L589 HydrophobicContact CD2-CG 4.05Å; Y557-L589 HydrophobicContact CE1-CD2 3.77Å; Y557-L589 HydrophobicContact CE1-CG 4.25Å; Y557-L589 HydrophobicContact CE2-CD1 3.71Å; Y557-L589 HydrophobicContact CE2-CD2 3.95Å; Y557-L589 HydrophobicContact CE2-CG 3.69Å; Y557-L589 HydrophobicContact CG-CD1 4.39Å; Y557-L589 HydrophobicContact CG-CD2 3.85Å; Y557-L589 HydrophobicContact CG-CG 4.44Å; I560-L589 HydrophobicContact CB-CD2 4.14Å; I560-L589 HydrophobicContact CD1-CB 4.19Å; I560-L589 HydrophobicContact CD1-CD2 3.92Å; I560-L589 HydrophobicContact CG2-CD2 3.57Å; P585-L589 PolarHBondContact O-N 2.94Å; T586-L589 HydrophobicContact CG2-CD1 3.98Å; R587-L589 VanDerWaalsContact C-N 3.35Å; L589-A593 WeakPolarHBondContact O-CB 3.45Å; L589-A593 PolarHBondContact O-N 3.15Å |
| 590 | I | 73.4 | Confident | 68.2 | Low | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.015 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68 | -45.3 | 176.1 | -68.7 | 160 | 0 | 0 | 0 | 110.8 | A575 T586 R587 Y588 Q592 A593 L594 A605 A608 F609 | A575-I590 HydrophobicContact CB-CD1 4.47Å; A575-I590 HydrophobicContact CB-CG1 4.32Å; T586-I590 WeakPolarHBondContact O-CD1 3.33Å; T586-I590 WeakPolarHBondContact O-CG1 3.48Å; T586-I590 PolarHBondContact O-N 3.48Å; T586-I590 VanDerWaalsContact O-N 3.16Å; R587-I590 PolarHBondContact O-N 3.37Å; Y588-I590 VanDerWaalsContact C-N 3.34Å; Y588-I590 PolarHBondContact O-N 2.76Å; I590-Q592 VanDerWaalsContact C-N 3.32Å; I590-Q592 PolarHBondContact O-N 3.04Å; I590-A593 WeakPolarHBondContact O-CA 3.34Å; I590-A593 WeakPolarHBondContact O-CB 3.4Å; I590-A593 PolarHBondContact O-N 2.68Å; I590-L594 WeakPolarHBondContact O-CG 3.16Å; I590-L594 PolarHBondContact O-N 2.97Å; I590-A605 HydrophobicContact CG2-CB 4.41Å; I590-A608 HydrophobicContact CD1-CB 3.9Å; I590-A608 HydrophobicContact CG1-CB 4.12Å; I590-A608 HydrophobicContact CG2-CB 4.09Å; I590-F609 HydrophobicContact CG2-CB 4.09Å; I590-F609 HydrophobicContact CG2-CD2 4.5Å |
| 591 | L | 66 | Low | 68.9 | Low | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.4 | -40.9 | 175 | -79.5 | 157.1 | 0 | 0 | 0 | 112.1 | R587 Y588 A593 L594 F609 F634 P655 V656 F659 | R587-L591 PolarHBondContact O-N 3.25Å; Y588-L591 PolarHBondContact O-N 2.96Å; L591-A593 VanDerWaalsContact C-N 3.3Å; L591-A593 PolarHBondContact O-N 3.37Å; L591-L594 HydrophobicContact CD2-CD1 4.18Å; L591-L594 PolarHBondContact O-N 3.06Å; L591-F609 HydrophobicContact CD2-CD2 4.42Å; L591-F609 HydrophobicContact CD2-CE2 3.81Å; L591-F609 HydrophobicContact CD2-CZ 4.44Å; L591-F609 HydrophobicContact CG-CE2 4.29Å; L591-F634 HydrophobicContact CD1-CE2 3.88Å; L591-F634 HydrophobicContact CD1-CZ 3.97Å; L591-P655 HydrophobicContact CD2-CB 4.28Å; L591-V656 HydrophobicContact CB-CG2 4.4Å; L591-V656 HydrophobicContact CD2-CG2 4.06Å; L591-F659 HydrophobicContact CD1-CD1 4.17Å; L591-F659 HydrophobicContact CD1-CE1 4.42Å; L591-F659 HydrophobicContact CD1-CG 4.45Å; L591-F659 HydrophobicContact CD2-CB 4.42Å |
| 592 | Q | 68.5 | Low | 69.5 | Low | 33 Ų | 33 | 37.9 Ų | 37.9 | 15% | 0.154 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.6 | -34.5 | 172.8 | -172 | -178.6 | 4.6 | 0 | 0 | 111.8 | Y588 I590 R652 | Y588-Q592 WeakPolarHBondContact O-CB 3.32Å; Y588-Q592 PolarHBondContact O-N 3.44Å; I590-Q592 VanDerWaalsContact C-N 3.32Å; I590-Q592 PolarHBondContact O-N 3.04Å; Q592-R652 VanDerWaalsContact O-CD 3.32Å; Q592-R652 WeakPolarHBondContact O-CD 3.41Å; Q592-R652 WeakPolarHBondContact O-CG 3.37Å; Q592-R652 PolarHBondContact O-NE 3.06Å; Q592-R652 PolarHBondContact O-NH2 2.81Å |
| 593 | A | 73.2 | Confident | 70.2 | Confident | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -78.5 | -25.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | I560 V572 L589 I590 L591 G595 D596 V601 A605 | I560-A593 HydrophobicContact CD1-CB 4.42Å; V572-A593 HydrophobicContact CG1-CB 4.41Å; V572-A593 HydrophobicContact CG2-CB 3.32Å; L589-A593 WeakPolarHBondContact O-CB 3.45Å; L589-A593 PolarHBondContact O-N 3.15Å; I590-A593 WeakPolarHBondContact O-CA 3.34Å; I590-A593 WeakPolarHBondContact O-CB 3.4Å; I590-A593 PolarHBondContact O-N 2.68Å; L591-A593 VanDerWaalsContact C-N 3.3Å; L591-A593 PolarHBondContact O-N 3.37Å; A593-G595 PolarHBondContact O-N 3.32Å; A593-D596 WeakPolarHBondContact O-CB 3.41Å; A593-D596 PolarHBondContact O-N 2.97Å; A593-V601 HydrophobicContact CB-CG1 3.99Å; A593-A605 HydrophobicContact CB-CB 3.58Å |
| 594 | L | 63.8 | Low | 70.8 | Confident | 14 Ų | 14 | 36 Ų | 36 | 7% | 0.073 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -22.3 | 179.6 | -76.8 | 171.3 | 0 | 0 | 0 | 114.2 | I590 L591 R602 A605 C606 F609 P655 | I590-L594 WeakPolarHBondContact O-CG 3.16Å; I590-L594 PolarHBondContact O-N 2.97Å; L591-L594 HydrophobicContact CD2-CD1 4.18Å; L591-L594 PolarHBondContact O-N 3.06Å; L594-R602 VanDerWaalsContact O-CD 3.24Å; L594-R602 WeakPolarHBondContact O-CD 3.44Å; L594-A605 VanDerWaalsContact CD2-C 3.45Å; L594-A605 HydrophobicContact CD2-CB 3.85Å; L594-A605 HydrophobicContact CG-CB 4.02Å; L594-C606 HydrophobicContact CD2-CB 4.27Å; L594-C606 VanDerWaalsContact CD2-SG 3.59Å; L594-F609 HydrophobicContact CD1-CB 4.12Å; L594-F609 HydrophobicContact CD1-CD1 4.22Å; L594-F609 HydrophobicContact CD1-CD2 3.88Å; L594-F609 HydrophobicContact CD1-CE2 4.36Å; L594-F609 HydrophobicContact CD1-CG 3.8Å; L594-F609 HydrophobicContact CD2-CB 4.17Å; L594-P655 HydrophobicContact CB-CG 4.11Å; L594-P655 HydrophobicContact CD1-CB 3.53Å; L594-P655 HydrophobicContact CD1-CG 3.8Å |
| 595 | G | 59.3 | Low | 71.7 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | 40.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A593 R652 | A593-G595 PolarHBondContact O-N 3.32Å; G595-R652 PolarHBondContact O-NE 3.39Å |
| 596 | D | 70.8 | Confident | 71.8 | Confident | 8 Ų | 8 | 34 Ų | 34 | 4% | 0.043 | 17% | 0.171 | C | C | . | . | trans | -69.3 | 150.7 | 167.5 | -161.1 | -91.9 | 0 | 0 | 0 | 113 | R568 A593 D598 V601 R602 R652 | R568-D596 IonicContact CZ-OD1 2.7Å; R568-D596 IonicContact CZ-OD2 3.51Å; R568-D596 IonicContact NE-OD1 3.84Å; R568-D596 PolarHBondContact NE-OD1 3.5Å; R568-D596 IonicContact NE-OD2 2.67Å; R568-D596 PolarHBondContact NE-OD2 3.05Å; R568-D596 IonicContact NH2-OD1 3.48Å; R568-D596 PolarHBondContact NH2-OD1 3.43Å; R568-D596 IonicContact NH2-OD2 3.38Å; A593-D596 WeakPolarHBondContact O-CB 3.41Å; A593-D596 PolarHBondContact O-N 2.97Å; D596-D598 PolarHBondContact O-N 3.38Å; D596-D598 PolarHBondContact OD1-N 3.28Å; D596-V601 HydrophobicContact CB-CB 3.82Å; D596-V601 HydrophobicContact CB-CG1 3.53Å; D596-R602 HydrophobicContact CB-CG 4.35Å; D596-R602 WeakPolarHBondContact O-CD 3.36Å; D596-R602 WeakPolarHBondContact O-CG 3.17Å; D596-R602 PolarHBondContact O-NH1 2.95Å; D596-R652 VanDerWaalsContact CA-NH2 3.26Å; D596-R652 IonicContact OD2-NH2 3.32Å; D596-R652 PolarHBondContact OD2-NH2 3.19Å | ||
| 597 | K | 71.6 | Confident | 71.9 | Confident | 145 Ų | 145 | 38.1 Ų | 38.1 | 63% | 0.63 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -53.7 | -38.4 | 175.1 | -68.5 | 173.1 | -175.9 | -67.8 | 0 | 112 | R602 E649 | K597-R602 PolarHBondContact O-NH1 2.86Å; K597-R602 VanDerWaalsContact O-NH1 3.1Å; K597-E649 WeakPolarHBondContact CG-OE2 3.47Å; K597-E649 IonicContact NZ-OE1 2.6Å; K597-E649 PolarHBondContact NZ-OE1 2.77Å; K597-E649 IonicContact NZ-OE2 2.67Å |
| 598 | D | 78.5 | Confident | 72.1 | Confident | 22 Ų | 22 | 37.3 Ų | 37.3 | 12% | 0.118 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -83.7 | 120.5 | -178.4 | -164.8 | -58.5 | 0 | 0 | 0 | 111.5 | P565 D596 R600 V601 R602 | P565-D598 HydrophobicContact CB-CB 4.14Å; P565-D598 VanDerWaalsContact CB-OD2 3.32Å; P565-D598 WeakPolarHBondContact CB-OD2 3.14Å; D596-D598 PolarHBondContact O-N 3.38Å; D596-D598 PolarHBondContact OD1-N 3.28Å; D598-R600 PolarHBondContact O-N 2.9Å; D598-R600 VanDerWaalsContact O-N 3.16Å; D598-R600 WeakPolarHBondContact OD1-CB 3.34Å; D598-R600 VanDerWaalsContact OD1-CG 3.3Å; D598-R600 WeakPolarHBondContact OD1-CG 3.24Å; D598-R600 IonicContact OD1-CZ 3.39Å; D598-R600 PolarHBondContact OD1-N 3.18Å; D598-R600 IonicContact OD1-NE 2.7Å; D598-R600 PolarHBondContact OD1-NE 3.24Å; D598-R600 IonicContact OD1-NH2 3.16Å; D598-R600 IonicContact OD2-CZ 3.45Å; D598-R600 IonicContact OD2-NE 3.32Å; D598-R600 PolarHBondContact OD2-NE 2.93Å; D598-R600 IonicContact OD2-NH2 2.72Å; D598-R600 PolarHBondContact OD2-NH2 3.46Å; D598-V601 HydrophobicContact CB-CB 4.3Å; D598-V601 HydrophobicContact CB-CG2 3.92Å; D598-V601 WeakPolarHBondContact O-CB 3.49Å; D598-V601 PolarHBondContact O-N 3.06Å; D598-V601 VanDerWaalsContact O-N 3.08Å; D598-R602 PolarHBondContact O-N 2.94Å; D598-R602 VanDerWaalsContact O-N 3.14Å |
| 599 | P | 73.1 | Confident | 72.3 | Confident | 84 Ų | 84 | 37.6 Ų | 37.6 | 55% | 0.545 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65 | -20.9 | -177.5 | 27.7 | -35.3 | 0 | 0 | 0 | 113.2 | A603 | P599-A603 WeakPolarHBondContact O-CB 3.38Å; P599-A603 PolarHBondContact O-N 3.36Å |
| 600 | R | 81.5 | Confident | 71.7 | Confident | 131 Ų | 131 | 43.7 Ų | 43.7 | 49% | 0.494 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -70.8 | -38.4 | 175.4 | -54.3 | 170.2 | -70.8 | -177.8 | -0.7 | 110.7 | L569 D598 A603 E604 | L569-R600 HydrophobicContact CD1-CB 4.39Å; L569-R600 WeakPolarHBondContact CD1-O 3.48Å; L569-R600 HydrophobicContact CD2-CB 4.23Å; D598-R600 PolarHBondContact O-N 2.9Å; D598-R600 VanDerWaalsContact O-N 3.16Å; D598-R600 WeakPolarHBondContact OD1-CB 3.34Å; D598-R600 VanDerWaalsContact OD1-CG 3.3Å; D598-R600 WeakPolarHBondContact OD1-CG 3.24Å; D598-R600 IonicContact OD1-CZ 3.39Å; D598-R600 PolarHBondContact OD1-N 3.18Å; D598-R600 IonicContact OD1-NE 2.7Å; D598-R600 PolarHBondContact OD1-NE 3.24Å; D598-R600 IonicContact OD1-NH2 3.16Å; D598-R600 IonicContact OD2-CZ 3.45Å; D598-R600 IonicContact OD2-NE 3.32Å; D598-R600 PolarHBondContact OD2-NE 2.93Å; D598-R600 IonicContact OD2-NH2 2.72Å; D598-R600 PolarHBondContact OD2-NH2 3.46Å; R600-A603 PolarHBondContact O-N 3.08Å; R600-E604 PolarHBondContact O-N 2.93Å |
| 601 | V | 84.2 | Confident | 71.2 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.3 | -41.8 | 175.2 | 179.1 | 0 | 0 | 0 | 0 | 110 | R568 L569 V572 A593 D596 D598 A605 | R568-V601 HydrophobicContact CB-CG1 4.45Å; R568-V601 HydrophobicContact CB-CG2 4.33Å; L569-V601 HydrophobicContact CB-CG2 3.89Å; L569-V601 HydrophobicContact CD1-CG2 4.24Å; V572-V601 HydrophobicContact CG2-CG1 4.13Å; A593-V601 HydrophobicContact CB-CG1 3.99Å; D596-V601 HydrophobicContact CB-CB 3.82Å; D596-V601 HydrophobicContact CB-CG1 3.53Å; D598-V601 HydrophobicContact CB-CB 4.3Å; D598-V601 HydrophobicContact CB-CG2 3.92Å; D598-V601 WeakPolarHBondContact O-CB 3.49Å; D598-V601 PolarHBondContact O-N 3.06Å; D598-V601 VanDerWaalsContact O-N 3.08Å; V601-A605 VanDerWaalsContact O-CB 3.32Å; V601-A605 WeakPolarHBondContact O-CB 3.43Å; V601-A605 PolarHBondContact O-N 2.89Å |
| 602 | R | 72.6 | Confident | 70.6 | Confident | 58 Ų | 58 | 49.2 Ų | 49.2 | 22% | 0.219 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 173.1 | -57.7 | -153.5 | -68.3 | -82.1 | 26.4 | 112.3 | L594 D596 K597 D598 A605 C606 E651 | L594-R602 VanDerWaalsContact O-CD 3.24Å; L594-R602 WeakPolarHBondContact O-CD 3.44Å; D596-R602 HydrophobicContact CB-CG 4.35Å; D596-R602 WeakPolarHBondContact O-CD 3.36Å; D596-R602 WeakPolarHBondContact O-CG 3.17Å; D596-R602 PolarHBondContact O-NH1 2.95Å; K597-R602 PolarHBondContact O-NH1 2.86Å; K597-R602 VanDerWaalsContact O-NH1 3.1Å; D598-R602 PolarHBondContact O-N 2.94Å; D598-R602 VanDerWaalsContact O-N 3.14Å; R602-A605 PolarHBondContact O-N 2.82Å; R602-C606 PolarHBondContact O-N 2.95Å; R602-C606 PolarHBondContact O-SG 3.35Å; R602-E651 IonicContact CZ-OE2 3.79Å; R602-E651 IonicContact NE-OE2 3.71Å; R602-E651 PolarHBondContact NE-OE2 3.03Å; R602-E651 IonicContact NH2-OE1 3.66Å; R602-E651 IonicContact NH2-OE2 2.84Å; R602-E651 PolarHBondContact NH2-OE2 2.95Å |
| 603 | A | 71.2 | Confident | 69.6 | Low | 54 Ų | 54 | 51.9 Ų | 51.9 | 45% | 0.446 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.2 | -45.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P599 R600 A605 C606 V607 | P599-A603 WeakPolarHBondContact O-CB 3.38Å; P599-A603 PolarHBondContact O-N 3.36Å; R600-A603 PolarHBondContact O-N 3.08Å; A603-A605 VanDerWaalsContact C-N 3.29Å; A603-A605 PolarHBondContact O-N 2.89Å; A603-C606 WeakPolarHBondContact O-CB 3.44Å; A603-C606 PolarHBondContact O-N 2.98Å; A603-V607 PolarHBondContact O-N 3.29Å |
| 604 | E | 80.7 | Confident | 68.2 | Low | 55 Ų | 55 | 55.1 Ų | 55.1 | 26% | 0.257 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.4 | -41.2 | 173.8 | -170.8 | 85 | -162 | 0 | 0 | 111.1 | L569 V572 N573 R600 V607 A608 | L569-E604 HydrophobicContact CD1-CB 3.74Å; L569-E604 HydrophobicContact CD1-CG 4.14Å; V572-E604 HydrophobicContact CB-CG 4.27Å; V572-E604 HydrophobicContact CG1-CB 4.15Å; V572-E604 HydrophobicContact CG1-CG 3.77Å; N573-E604 HydrophobicContact CB-CG 4.47Å; N573-E604 WeakPolarHBondContact CB-OE1 3.35Å; N573-E604 PolarHBondContact ND2-OE1 3.39Å; R600-E604 PolarHBondContact O-N 2.93Å; E604-V607 PolarHBondContact O-N 2.75Å; E604-A608 WeakPolarHBondContact O-CB 3.47Å; E604-A608 PolarHBondContact O-N 2.87Å |
| 605 | A | 78.7 | Confident | 67.1 | Low | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.7 | -36.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V572 I590 A593 L594 V601 R602 A603 A608 F609 | V572-A605 HydrophobicContact CG1-CB 4.1Å; I590-A605 HydrophobicContact CG2-CB 4.41Å; A593-A605 HydrophobicContact CB-CB 3.58Å; L594-A605 VanDerWaalsContact CD2-C 3.45Å; L594-A605 HydrophobicContact CD2-CB 3.85Å; L594-A605 HydrophobicContact CG-CB 4.02Å; V601-A605 VanDerWaalsContact O-CB 3.32Å; V601-A605 WeakPolarHBondContact O-CB 3.43Å; V601-A605 PolarHBondContact O-N 2.89Å; R602-A605 PolarHBondContact O-N 2.82Å; A603-A605 VanDerWaalsContact C-N 3.29Å; A603-A605 PolarHBondContact O-N 2.89Å; A605-A608 CarbonylContact O-C 3.36Å; A605-A608 PolarHBondContact O-N 3.12Å; A605-F609 VanDerWaalsContact O-CB 3.26Å; A605-F609 WeakPolarHBondContact O-CB 3.37Å; A605-F609 PolarHBondContact O-N 3.24Å |
| 606 | C | 66.3 | Low | 66.4 | Low | 55 Ų | 55 | 64.1 Ų | 64.1 | 37% | 0.372 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.2 | -49.1 | 173.8 | -67.7 | 0 | 0 | 0 | 0 | 110.7 | L594 R602 A603 A608 F609 E610 | L594-C606 HydrophobicContact CD2-CB 4.27Å; L594-C606 VanDerWaalsContact CD2-SG 3.59Å; R602-C606 PolarHBondContact O-N 2.95Å; R602-C606 PolarHBondContact O-SG 3.35Å; A603-C606 WeakPolarHBondContact O-CB 3.44Å; A603-C606 PolarHBondContact O-N 2.98Å; C606-A608 PolarHBondContact O-N 3.26Å; C606-F609 CarbonylContact O-C 3.6Å; C606-F609 WeakPolarHBondContact O-CA 3.46Å; C606-F609 PolarHBondContact O-N 3.48Å; C606-E610 WeakPolarHBondContact O-CG 3.48Å; C606-E610 PolarHBondContact O-N 3.32Å |
| 607 | V | 71.8 | Confident | 65.2 | Low | 87 Ų | 87 | 65.4 Ų | 65.4 | 53% | 0.527 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.2 | -31.2 | 176.9 | 175.3 | 0 | 0 | 0 | 0 | 112.1 | A603 E604 Q611 | A603-V607 PolarHBondContact O-N 3.29Å; E604-V607 PolarHBondContact O-N 2.75Å; V607-Q611 PolarHBondContact O-NE2 2.77Å |
| 608 | A | 72.8 | Confident | 63.9 | Low | 7 Ų | 7 | 60.8 Ų | 60.8 | 6% | 0.058 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -78.9 | -13.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | I590 E604 A605 C606 | I590-A608 HydrophobicContact CD1-CB 3.9Å; I590-A608 HydrophobicContact CG1-CB 4.12Å; I590-A608 HydrophobicContact CG2-CB 4.09Å; E604-A608 WeakPolarHBondContact O-CB 3.47Å; E604-A608 PolarHBondContact O-N 2.87Å; A605-A608 CarbonylContact O-C 3.36Å; A605-A608 PolarHBondContact O-N 3.12Å; C606-A608 PolarHBondContact O-N 3.26Å |
| 609 | F | 67.5 | Low | 62.2 | Low | 23 Ų | 23 | 64.8 Ų | 64.8 | 10% | 0.101 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -105.7 | -27.4 | -179.4 | -171.7 | -94.6 | 0 | 0 | 0 | 113.5 | I590 L591 L594 A605 C606 Q611 F612 L613 | I590-F609 HydrophobicContact CG2-CB 4.09Å; I590-F609 HydrophobicContact CG2-CD2 4.5Å; L591-F609 HydrophobicContact CD2-CD2 4.42Å; L591-F609 HydrophobicContact CD2-CE2 3.81Å; L591-F609 HydrophobicContact CD2-CZ 4.44Å; L591-F609 HydrophobicContact CG-CE2 4.29Å; L594-F609 HydrophobicContact CD1-CB 4.12Å; L594-F609 HydrophobicContact CD1-CD1 4.22Å; L594-F609 HydrophobicContact CD1-CD2 3.88Å; L594-F609 HydrophobicContact CD1-CE2 4.36Å; L594-F609 HydrophobicContact CD1-CG 3.8Å; L594-F609 HydrophobicContact CD2-CB 4.17Å; A605-F609 VanDerWaalsContact O-CB 3.26Å; A605-F609 WeakPolarHBondContact O-CB 3.37Å; A605-F609 PolarHBondContact O-N 3.24Å; C606-F609 CarbonylContact O-C 3.6Å; C606-F609 WeakPolarHBondContact O-CA 3.46Å; C606-F609 PolarHBondContact O-N 3.48Å; F609-Q611 PolarHBondContact O-N 2.69Å; F609-F612 WeakPolarHBondContact O-CA 3.44Å; F609-F612 WeakPolarHBondContact O-CB 3.28Å; F609-F612 PolarHBondContact O-N 2.83Å; F609-L613 HydrophobicContact CD1-CD1 4.47Å; F609-L613 HydrophobicContact CE1-CD1 4.38Å; F609-L613 HydrophobicContact CE1-CD2 4.31Å; F609-L613 HydrophobicContact CE1-CG 4.25Å |
| 610 | E | 60.4 | Low | 60.8 | Low | 130 Ų | 130 | 63.2 Ų | 63.2 | 61% | 0.607 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -57.8 | -33.2 | 171 | -76.7 | 176.7 | 169 | 0 | 0 | 111.5 | C606 F612 L613 | C606-E610 WeakPolarHBondContact O-CG 3.48Å; C606-E610 PolarHBondContact O-N 3.32Å; E610-F612 PolarHBondContact O-N 3.04Å; E610-L613 PolarHBondContact O-N 2.98Å |
| 611 | Q | 63.2 | Low | 59 | Low | 112 Ų | 112 | 57.4 Ų | 57.4 | 52% | 0.523 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -4.1 | 169.9 | -63.7 | 173.4 | 50 | 0 | 0 | 114.4 | V607 F609 I617 | V607-Q611 PolarHBondContact O-NE2 2.77Å; F609-Q611 PolarHBondContact O-N 2.69Å; Q611-I617 WeakPolarHBondContact O-CD1 3.32Å |
| 612 | F | 52.4 | Low | 56.9 | Low | 13 Ų | 13 | 59.2 Ų | 59.2 | 6% | 0.057 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -16.4 | 176.7 | -143.2 | -77.5 | 0 | 0 | 0 | 112.6 | S581 R587 F609 E610 D614 I621 F659 | S581-F612 WeakPolarHBondContact O-CE2 3.47Å; R587-F612 HydrophobicContact CG-CE2 4.12Å; F609-F612 WeakPolarHBondContact O-CA 3.44Å; F609-F612 WeakPolarHBondContact O-CB 3.28Å; F609-F612 PolarHBondContact O-N 2.83Å; E610-F612 PolarHBondContact O-N 3.04Å; F612-D614 VanDerWaalsContact C-N 3.34Å; F612-I621 HydrophobicContact CD1-CD1 4.29Å; F612-I621 HydrophobicContact CE1-CD1 3.57Å; F612-I621 HydrophobicContact CZ-CD1 4.29Å; F612-F659 HydrophobicContact CD1-CE2 4.27Å; F612-F659 HydrophobicContact CE1-CD2 4.4Å; F612-F659 AromaticContact CE1-CE2 3.62Å; F612-F659 HydrophobicContact CE1-CE2 3.62Å; F612-F659 AromaticContact CZ-CE2 3.93Å; F612-F659 HydrophobicContact CZ-CE2 3.93Å |
| 613 | L | 47.6 | Very low | 55.5 | Low | 89 Ų | 89 | 62.6 Ų | 62.6 | 47% | 0.466 | 33% | 0.331 | S | S | . | . | trans | -89.6 | 1.6 | -179.9 | -66.8 | 174.9 | 0 | 0 | 0 | 113.3 | F609 E610 I618 | F609-L613 HydrophobicContact CD1-CD1 4.47Å; F609-L613 HydrophobicContact CE1-CD1 4.38Å; F609-L613 HydrophobicContact CE1-CD2 4.31Å; F609-L613 HydrophobicContact CE1-CG 4.25Å; E610-L613 PolarHBondContact O-N 2.98Å; L613-I618 WeakPolarHBondContact O-CD1 3.25Å | ||
| 614 | D | 44.8 | Very low | 54.3 | Low | 68 Ų | 68 | 62.6 Ų | 62.6 | 36% | 0.364 | 34% | 0.337 | S | S | . | . | trans | -58.9 | 124.4 | 175.7 | -169.8 | -47.6 | 0 | 0 | 0 | 110.4 | F612 N616 I617 I618 | F612-D614 VanDerWaalsContact C-N 3.34Å; D614-N616 PolarHBondContact O-N 3.29Å; D614-N616 WeakPolarHBondContact OD1-CB 3.32Å; D614-N616 PolarHBondContact OD1-N 3.25Å; D614-N616 PolarHBondContact OD1-ND2 2.66Å; D614-I617 HydrophobicContact CB-CB 4.44Å; D614-I617 HydrophobicContact CB-CD1 4.01Å; D614-I617 HydrophobicContact CB-CG1 4.18Å; D614-I617 PolarHBondContact O-N 2.9Å; D614-I618 PolarHBondContact O-N 3.32Å | ||
| 615 | P | 39.5 | Very low | 52.5 | Low | 91 Ų | 91 | 69.1 Ų | 69.1 | 59% | 0.591 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -54.9 | -26.4 | -179.9 | -28.6 | 36.4 | 0 | 0 | 0 | 114.8 | I618 H619 | P615-I618 PolarHBondContact O-N 2.86Å; P615-H619 WeakPolarHBondContact O-CB 3.48Å; P615-H619 PolarHBondContact O-N 3.41Å |
| 616 | N | 45.8 | Very low | 50.8 | Low | 114 Ų | 114 | 70.7 Ų | 70.7 | 61% | 0.61 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -69.3 | -39.9 | 175.7 | -59.9 | -79.3 | 0 | 0 | 0 | 111.4 | D614 H619 D620 | D614-N616 PolarHBondContact O-N 3.29Å; D614-N616 WeakPolarHBondContact OD1-CB 3.32Å; D614-N616 PolarHBondContact OD1-N 3.25Å; D614-N616 PolarHBondContact OD1-ND2 2.66Å; N616-H619 WeakPolarHBondContact O-CB 3.46Å; N616-H619 PolarHBondContact O-N 3.05Å; N616-D620 PolarHBondContact O-N 3.19Å |
| 617 | I | 45.7 | Very low | 49.9 | Very low | 35 Ų | 35 | 76.9 Ų | 76.9 | 18% | 0.179 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -71.6 | -39.2 | 174.9 | -60.6 | 172.1 | 0 | 0 | 0 | 109.6 | Q611 D614 H619 D620 I621 | Q611-I617 WeakPolarHBondContact O-CD1 3.32Å; D614-I617 HydrophobicContact CB-CB 4.44Å; D614-I617 HydrophobicContact CB-CD1 4.01Å; D614-I617 HydrophobicContact CB-CG1 4.18Å; D614-I617 PolarHBondContact O-N 2.9Å; I617-H619 VanDerWaalsContact C-N 3.29Å; I617-H619 PolarHBondContact O-N 3.13Å; I617-D620 CarbonylContact O-C 3.6Å; I617-D620 PolarHBondContact O-N 3.33Å; I617-I621 HydrophobicContact CG2-CD1 3.79Å; I617-I621 HydrophobicContact CG2-CG1 4.35Å; I617-I621 WeakPolarHBondContact O-CB 3.22Å; I617-I621 WeakPolarHBondContact O-CD1 3.44Å; I617-I621 WeakPolarHBondContact O-CG1 3.49Å; I617-I621 PolarHBondContact O-N 3.07Å |
| 618 | I | 44.1 | Very low | 48.6 | Very low | 48 Ų | 48 | 74.5 Ų | 74.5 | 25% | 0.246 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.4 | -40.3 | 172.4 | -61.5 | 173 | 0 | 0 | 0 | 110.7 | L613 D614 P615 I621 V622 L662 | L613-I618 WeakPolarHBondContact O-CD1 3.25Å; D614-I618 PolarHBondContact O-N 3.32Å; P615-I618 PolarHBondContact O-N 2.86Å; I618-I621 PolarHBondContact O-N 3.25Å; I618-V622 HydrophobicContact CG2-CG2 4.29Å; I618-V622 WeakPolarHBondContact O-CB 3.33Å; I618-V622 VanDerWaalsContact O-CG2 3.31Å; I618-V622 WeakPolarHBondContact O-CG2 3.36Å; I618-V622 PolarHBondContact O-N 3.17Å; I618-L662 HydrophobicContact CG2-CD2 4.3Å |
| 619 | H | 41.9 | Very low | 47.3 | Very low | 106 Ų | 106 | 75 Ų | 75 | 49% | 0.491 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.2 | -51.2 | 170.4 | -105.5 | -86 | 0 | 0 | 0 | 111.8 | P615 N616 I617 I621 V622 Y623 | P615-H619 WeakPolarHBondContact O-CB 3.48Å; P615-H619 PolarHBondContact O-N 3.41Å; N616-H619 WeakPolarHBondContact O-CB 3.46Å; N616-H619 PolarHBondContact O-N 3.05Å; I617-H619 VanDerWaalsContact C-N 3.29Å; I617-H619 PolarHBondContact O-N 3.13Å; H619-I621 PolarHBondContact O-N 3.23Å; H619-V622 PolarHBondContact O-N 2.99Å; H619-Y623 AromaticContact CE1-CE2 3.49Å; H619-Y623 VanDerWaalsContact CE1-CE2 3.49Å; H619-Y623 WeakPolarHBondContact CE1-CE2 3.49Å; H619-Y623 AromaticContact ND1-CD2 3.51Å; H619-Y623 AromaticContact ND1-CE2 3.13Å; H619-Y623 WeakPolarHBondContact ND1-CE2 3.45Å; H619-Y623 AromaticContact ND1-CZ 3.95Å; H619-Y623 WeakPolarHBondContact O-CB 3.32Å; H619-Y623 VanDerWaalsContact O-CD2 3.28Å; H619-Y623 WeakPolarHBondContact O-CD2 3.22Å; H619-Y623 PolarHBondContact O-N 3.25Å |
| 620 | D | 43.6 | Very low | 46.3 | Very low | 52 Ų | 52 | 76.1 Ų | 76.1 | 28% | 0.278 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.9 | -22.8 | -180 | -77.7 | -17.6 | 0 | 0 | 0 | 113.2 | N616 I617 G624 R625 V626 | N616-D620 PolarHBondContact O-N 3.19Å; I617-D620 CarbonylContact O-C 3.6Å; I617-D620 PolarHBondContact O-N 3.33Å; D620-G624 PolarHBondContact O-N 3.14Å; D620-R625 HydrophobicContact CB-CB 4.13Å; D620-R625 WeakPolarHBondContact O-CA 3.4Å; D620-R625 WeakPolarHBondContact O-CB 3.27Å; D620-R625 PolarHBondContact O-N 3.46Å; D620-R625 VanDerWaalsContact OD1-CD 3.3Å; D620-R625 WeakPolarHBondContact OD1-CD 3.22Å; D620-R625 IonicContact OD1-CZ 2.78Å; D620-R625 IonicContact OD1-NE 3.55Å; D620-R625 IonicContact OD1-NH1 3.78Å; D620-R625 PolarHBondContact OD1-NH1 2.98Å; D620-V626 HydrophobicContact CB-CG2 4.02Å; D620-V626 PolarHBondContact O-N 3.43Å |
| 621 | I | 43.9 | Very low | 45.6 | Very low | 8 Ų | 8 | 71 Ų | 71 | 4% | 0.041 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -75.7 | -53.2 | 170.1 | -69.7 | 164.7 | 0 | 0 | 0 | 111.2 | F612 I617 I618 H619 Y623 G624 V626 L628 A666 | F612-I621 HydrophobicContact CD1-CD1 4.29Å; F612-I621 HydrophobicContact CE1-CD1 3.57Å; F612-I621 HydrophobicContact CZ-CD1 4.29Å; I617-I621 HydrophobicContact CG2-CD1 3.79Å; I617-I621 HydrophobicContact CG2-CG1 4.35Å; I617-I621 WeakPolarHBondContact O-CB 3.22Å; I617-I621 WeakPolarHBondContact O-CD1 3.44Å; I617-I621 WeakPolarHBondContact O-CG1 3.49Å; I617-I621 PolarHBondContact O-N 3.07Å; I618-I621 PolarHBondContact O-N 3.25Å; H619-I621 PolarHBondContact O-N 3.23Å; I621-Y623 VanDerWaalsContact C-N 3.31Å; I621-Y623 PolarHBondContact O-N 2.94Å; I621-G624 PolarHBondContact O-N 3.16Å; I621-V626 HydrophobicContact CG1-CB 3.89Å; I621-V626 HydrophobicContact CG1-CG1 4.26Å; I621-V626 HydrophobicContact CG1-CG2 4.18Å; I621-L628 HydrophobicContact CB-CD1 4.42Å; I621-L628 HydrophobicContact CD1-CD1 4.06Å; I621-L628 HydrophobicContact CG1-CD1 3.73Å; I621-L628 HydrophobicContact CG2-CD1 3.94Å; I621-L628 HydrophobicContact CG2-CD2 3.74Å; I621-L628 HydrophobicContact CG2-CG 4.47Å; I621-A666 HydrophobicContact CG2-CB 3.85Å |
| 622 | V | 41.2 | Very low | 44.9 | Very low | 39 Ų | 39 | 66.5 Ų | 66.5 | 24% | 0.236 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.9 | -33.1 | -177.4 | 169.9 | 0 | 0 | 0 | 0 | 112.1 | I618 H619 G624 | I618-V622 HydrophobicContact CG2-CG2 4.29Å; I618-V622 WeakPolarHBondContact O-CB 3.33Å; I618-V622 VanDerWaalsContact O-CG2 3.31Å; I618-V622 WeakPolarHBondContact O-CG2 3.36Å; I618-V622 PolarHBondContact O-N 3.17Å; H619-V622 PolarHBondContact O-N 2.99Å; V622-G624 VanDerWaalsContact C-N 3.29Å |
| 623 | Y | 43.6 | Very low | 44.9 | Very low | 129 Ų | 129 | 71.4 Ų | 71.4 | 51% | 0.506 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 13 | 174.4 | -70.9 | -106.7 | 0 | 0 | 0 | 112.7 | H619 I621 R625 | H619-Y623 AromaticContact CE1-CE2 3.49Å; H619-Y623 VanDerWaalsContact CE1-CE2 3.49Å; H619-Y623 WeakPolarHBondContact CE1-CE2 3.49Å; H619-Y623 AromaticContact ND1-CD2 3.51Å; H619-Y623 AromaticContact ND1-CE2 3.13Å; H619-Y623 WeakPolarHBondContact ND1-CE2 3.45Å; H619-Y623 AromaticContact ND1-CZ 3.95Å; H619-Y623 WeakPolarHBondContact O-CB 3.32Å; H619-Y623 VanDerWaalsContact O-CD2 3.28Å; H619-Y623 WeakPolarHBondContact O-CD2 3.22Å; H619-Y623 PolarHBondContact O-N 3.25Å; I621-Y623 VanDerWaalsContact C-N 3.31Å; I621-Y623 PolarHBondContact O-N 2.94Å; Y623-R625 VanDerWaalsContact C-N 3.3Å; Y623-R625 PolarHBondContact O-N 3.05Å |
| 624 | G | 44.2 | Very low | 44.9 | Very low | 54 Ų | 54 | 68 Ų | 68 | 56% | 0.557 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 15.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | D620 I621 V622 | D620-G624 PolarHBondContact O-N 3.14Å; I621-G624 PolarHBondContact O-N 3.16Å; V622-G624 VanDerWaalsContact C-N 3.29Å |
| 625 | R | 43.2 | Very low | 45.1 | Very low | 191 Ų | 191 | 65 Ų | 65 | 72% | 0.721 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -75.2 | -37 | 175 | -55.5 | -165.4 | -169.8 | 140.9 | -5.8 | 111.6 | D620 Y623 | D620-R625 HydrophobicContact CB-CB 4.13Å; D620-R625 WeakPolarHBondContact O-CA 3.4Å; D620-R625 WeakPolarHBondContact O-CB 3.27Å; D620-R625 PolarHBondContact O-N 3.46Å; D620-R625 VanDerWaalsContact OD1-CD 3.3Å; D620-R625 WeakPolarHBondContact OD1-CD 3.22Å; D620-R625 IonicContact OD1-CZ 2.78Å; D620-R625 IonicContact OD1-NE 3.55Å; D620-R625 IonicContact OD1-NH1 3.78Å; D620-R625 PolarHBondContact OD1-NH1 2.98Å; Y623-R625 VanDerWaalsContact C-N 3.3Å; Y623-R625 PolarHBondContact O-N 3.05Å |
| 626 | V | 42.8 | Very low | 45.7 | Very low | 33 Ų | 33 | 61.9 Ų | 61.9 | 20% | 0.2 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -88 | 118 | 168.7 | -177.2 | 0 | 0 | 0 | 0 | 109 | D620 I621 L628 | D620-V626 HydrophobicContact CB-CG2 4.02Å; D620-V626 PolarHBondContact O-N 3.43Å; I621-V626 HydrophobicContact CG1-CB 3.89Å; I621-V626 HydrophobicContact CG1-CG1 4.26Å; I621-V626 HydrophobicContact CG1-CG2 4.18Å; V626-L628 HydrophobicContact CB-CD1 4.43Å; V626-L628 HydrophobicContact CG1-CD1 3.78Å; V626-L628 PolarHBondContact O-N 3.08Å |
| 627 | K | 48.4 | Very low | 45.7 | Very low | 186 Ų | 186 | 60.7 Ų | 60.7 | 81% | 0.809 | 30% | 0.3 | S | S | * | . | trans | -74.9 | 88.3 | 169.9 | -73.5 | -173.4 | 175.5 | -177.1 | 0 | 110.3 | ||||
| 628 | L | 43.4 | Very low | 45.7 | Very low | 36 Ų | 36 | 60.6 Ų | 60.6 | 19% | 0.188 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -59 | 146.1 | 162.2 | -101.3 | 57.8 | 0 | 0 | 0 | 110.2 | I621 V626 F659 C663 | I621-L628 HydrophobicContact CB-CD1 4.42Å; I621-L628 HydrophobicContact CD1-CD1 4.06Å; I621-L628 HydrophobicContact CG1-CD1 3.73Å; I621-L628 HydrophobicContact CG2-CD1 3.94Å; I621-L628 HydrophobicContact CG2-CD2 3.74Å; I621-L628 HydrophobicContact CG2-CG 4.47Å; V626-L628 HydrophobicContact CB-CD1 4.43Å; V626-L628 HydrophobicContact CG1-CD1 3.78Å; V626-L628 PolarHBondContact O-N 3.08Å; L628-F659 HydrophobicContact CG-CZ 4.5Å; L628-C663 HydrophobicContact CD2-CB 4.11Å; L628-C663 VanDerWaalsContact CD2-SG 3.59Å |
| 629 | P | 46.7 | Very low | 45.6 | Very low | 18 Ų | 18 | 60 Ų | 60 | 12% | 0.117 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 149.7 | 166.6 | 27.9 | -33 | 0 | 0 | 0 | 109.4 | I584 E633 F634 | I584-P629 HydrophobicContact CD1-CB 4.14Å; I584-P629 HydrophobicContact CD1-CG 4.23Å; I584-P629 HydrophobicContact CG2-CG 4.09Å; P629-E633 HydrophobicContact CB-CB 4.2Å; P629-F634 HydrophobicContact CG-CB 4.17Å; P629-F634 HydrophobicContact CG-CD2 4.44Å |
| 630 | S | 46.9 | Very low | 45.7 | Very low | 47 Ų | 47 | 61.5 Ų | 61.5 | 33% | 0.329 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 150.9 | 172 | 64.9 | 0 | 0 | 0 | 0 | 110.5 | V632 E633 F634 | S630-V632 PolarHBondContact O-N 3.37Å; S630-V632 VanDerWaalsContact O-N 3.07Å; S630-E633 VanDerWaalsContact CB-OE2 3.25Å; S630-E633 WeakPolarHBondContact CB-OE2 3.49Å; S630-E633 PolarHBondContact N-OE2 3.16Å; S630-E633 PolarHBondContact O-N 3.1Å; S630-E633 VanDerWaalsContact OG-CD 3.31Å; S630-E633 VanDerWaalsContact OG-CG 3.29Å; S630-E633 WeakPolarHBondContact OG-CG 3.32Å; S630-E633 PolarHBondContact OG-N 3Å; S630-E633 VanDerWaalsContact OG-N 3.1Å; S630-E633 PolarHBondContact OG-OE2 2.77Å; S630-F634 PolarHBondContact O-N 3.06Å |
| 631 | F | 45.5 | Very low | 45.7 | Very low | 23 Ų | 23 | 61.6 Ų | 61.6 | 10% | 0.101 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -48.5 | -37.5 | 172.1 | 169.6 | -103.2 | 0 | 0 | 0 | 111.7 | V635 I660 L664 Y750 | F631-V635 HydrophobicContact CD2-CG2 4.05Å; F631-V635 HydrophobicContact CE2-CG2 3.78Å; F631-V635 HydrophobicContact CZ-CG2 4.15Å; F631-V635 WeakPolarHBondContact O-CB 3.41Å; F631-V635 VanDerWaalsContact O-CG2 3.28Å; F631-V635 WeakPolarHBondContact O-CG2 3.08Å; F631-V635 PolarHBondContact O-N 3.04Å; F631-V635 VanDerWaalsContact O-N 3.12Å; F631-I660 HydrophobicContact CD2-CG2 4.01Å; F631-I660 HydrophobicContact CE2-CG2 3.79Å; F631-L664 HydrophobicContact CD2-CD2 4.32Å; F631-L664 HydrophobicContact CG-CD2 4.39Å; F631-Y750 HydrophobicContact CZ-CG 4.42Å |
| 632 | V | 48.4 | Very low | 45.5 | Very low | 17 Ų | 17 | 63.2 Ų | 63.2 | 10% | 0.103 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.1 | -48.9 | 177.2 | -174.9 | 0 | 0 | 0 | 0 | 111.7 | S630 N636 I738 Q742 | S630-V632 PolarHBondContact O-N 3.37Å; S630-V632 VanDerWaalsContact O-N 3.07Å; V632-N636 WeakPolarHBondContact O-CB 3.41Å; V632-N636 PolarHBondContact O-N 3.3Å; V632-N636 PolarHBondContact O-ND2 3.08Å; V632-I738 HydrophobicContact CG2-CG2 3.97Å; V632-Q742 HydrophobicContact CG1-CB 4.17Å; V632-Q742 HydrophobicContact CG1-CG 3.6Å |
| 633 | E | 51.1 | Low | 45.5 | Very low | 116 Ų | 116 | 71.2 Ų | 71.2 | 54% | 0.542 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.6 | -48.5 | 177.7 | -74.4 | 159.6 | 124.9 | 0 | 0 | 112 | P629 S630 V635 N636 H637 | P629-E633 HydrophobicContact CB-CB 4.2Å; S630-E633 VanDerWaalsContact CB-OE2 3.25Å; S630-E633 WeakPolarHBondContact CB-OE2 3.49Å; S630-E633 PolarHBondContact N-OE2 3.16Å; S630-E633 PolarHBondContact O-N 3.1Å; S630-E633 VanDerWaalsContact OG-CD 3.31Å; S630-E633 VanDerWaalsContact OG-CG 3.29Å; S630-E633 WeakPolarHBondContact OG-CG 3.32Å; S630-E633 PolarHBondContact OG-N 3Å; S630-E633 VanDerWaalsContact OG-N 3.1Å; S630-E633 PolarHBondContact OG-OE2 2.77Å; E633-V635 PolarHBondContact O-N 3.27Å; E633-N636 PolarHBondContact O-N 3.05Å; E633-H637 PolarHBondContact O-N 3.49Å |
| 634 | F | 48.8 | Very low | 45.5 | Very low | 17 Ų | 17 | 71.4 Ų | 71.4 | 8% | 0.075 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.3 | -50.4 | -177.7 | 179.5 | -102.9 | 0 | 0 | 0 | 111.9 | L591 P629 S630 N636 H637 D638 V656 F659 I660 | L591-F634 HydrophobicContact CD1-CE2 3.88Å; L591-F634 HydrophobicContact CD1-CZ 3.97Å; P629-F634 HydrophobicContact CG-CB 4.17Å; P629-F634 HydrophobicContact CG-CD2 4.44Å; S630-F634 PolarHBondContact O-N 3.06Å; F634-N636 VanDerWaalsContact C-N 3.34Å; F634-N636 PolarHBondContact O-N 3.41Å; F634-H637 PolarHBondContact O-N 3.14Å; F634-D638 PolarHBondContact O-N 3.03Å; F634-V656 HydrophobicContact CE1-CG1 3.85Å; F634-V656 HydrophobicContact CZ-CG1 4.07Å; F634-F659 HydrophobicContact CD2-CD1 4.4Å; F634-F659 AromaticContact CD2-CE1 3.94Å; F634-F659 HydrophobicContact CD2-CE1 3.94Å; F634-F659 HydrophobicContact CE1-CD1 4.01Å; F634-F659 HydrophobicContact CE1-CE1 4.47Å; F634-F659 AromaticContact CE2-CD1 3.8Å; F634-F659 HydrophobicContact CE2-CD1 3.8Å; F634-F659 AromaticContact CE2-CE1 3.64Å; F634-F659 HydrophobicContact CE2-CE1 3.64Å; F634-F659 HydrophobicContact CG-CE1 4.48Å; F634-F659 AromaticContact CZ-CD1 3.58Å; F634-F659 HydrophobicContact CZ-CD1 3.58Å; F634-F659 AromaticContact CZ-CE1 3.94Å; F634-F659 HydrophobicContact CZ-CE1 3.94Å; F634-I660 HydrophobicContact CD1-CD1 4.4Å; F634-I660 HydrophobicContact CD1-CG1 3.99Å; F634-I660 HydrophobicContact CE1-CD1 4.08Å; F634-I660 HydrophobicContact CE1-CG1 3.77Å |
| 635 | V | 49.2 | Very low | 45.2 | Very low | 6 Ų | 6 | 73.9 Ų | 73.9 | 4% | 0.036 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.7 | -34.4 | 179.4 | 178.4 | 0 | 0 | 0 | 0 | 111.5 | F631 E633 D638 T639 I660 T749 | F631-V635 HydrophobicContact CD2-CG2 4.05Å; F631-V635 HydrophobicContact CE2-CG2 3.78Å; F631-V635 HydrophobicContact CZ-CG2 4.15Å; F631-V635 WeakPolarHBondContact O-CB 3.41Å; F631-V635 VanDerWaalsContact O-CG2 3.28Å; F631-V635 WeakPolarHBondContact O-CG2 3.08Å; F631-V635 PolarHBondContact O-N 3.04Å; F631-V635 VanDerWaalsContact O-N 3.12Å; E633-V635 PolarHBondContact O-N 3.27Å; V635-D638 PolarHBondContact O-N 2.67Å; V635-T639 WeakPolarHBondContact O-CG2 3.33Å; V635-T639 PolarHBondContact O-N 3.24Å; V635-I660 HydrophobicContact CG2-CD1 4.31Å; V635-T749 HydrophobicContact CG1-CG2 3.66Å |
| 636 | N | 50.9 | Low | 45 | Very low | 25 Ų | 25 | 69.4 Ų | 69.4 | 13% | 0.134 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -72.2 | -31.9 | 176.6 | -80.5 | -84 | 0 | 0 | 0 | 113.3 | V632 E633 F634 D638 T639 Q640 Q742 | V632-N636 WeakPolarHBondContact O-CB 3.41Å; V632-N636 PolarHBondContact O-N 3.3Å; V632-N636 PolarHBondContact O-ND2 3.08Å; E633-N636 PolarHBondContact O-N 3.05Å; F634-N636 VanDerWaalsContact C-N 3.34Å; F634-N636 PolarHBondContact O-N 3.41Å; N636-D638 VanDerWaalsContact C-N 3.3Å; N636-D638 PolarHBondContact O-N 2.82Å; N636-T639 PolarHBondContact O-N 3.24Å; N636-T639 PolarHBondContact O-OG1 2.79Å; N636-Q640 PolarHBondContact O-N 3.11Å; N636-Q742 WeakPolarHBondContact ND2-CG 3.31Å; N636-Q742 PolarHBondContact ND2-NE2 3.2Å |
| 637 | H | 47.4 | Very low | 44.8 | Very low | 89 Ų | 89 | 76.2 Ų | 76.2 | 41% | 0.412 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58 | -45.9 | 171.4 | -121.2 | 37.9 | 0 | 0 | 0 | 110.6 | E633 F634 T639 Q640 | E633-H637 PolarHBondContact O-N 3.49Å; F634-H637 PolarHBondContact O-N 3.14Å; H637-T639 VanDerWaalsContact C-N 3.31Å; H637-T639 PolarHBondContact O-N 3.05Å; H637-Q640 PolarHBondContact O-N 3.33Å; H637-Q640 VanDerWaalsContact O-N 3.1Å |
| 638 | D | 43.9 | Very low | 44.5 | Very low | 33 Ų | 33 | 69.4 Ų | 69.4 | 18% | 0.176 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.7 | -37.1 | 176.5 | -157.7 | 41.8 | 0 | 0 | 0 | 112 | Y588 F634 V635 N636 Q640 H641 S642 | Y588-D638 HydrophobicContact CE2-CB 4.12Å; Y588-D638 WeakPolarHBondContact CE2-OD1 3.47Å; Y588-D638 PolarHBondContact OH-OD1 3.34Å; F634-D638 PolarHBondContact O-N 3.03Å; V635-D638 PolarHBondContact O-N 2.67Å; N636-D638 VanDerWaalsContact C-N 3.3Å; N636-D638 PolarHBondContact O-N 2.82Å; D638-Q640 VanDerWaalsContact C-N 3.26Å; D638-Q640 PolarHBondContact O-N 2.72Å; D638-H641 PolarHBondContact O-N 3.19Å; D638-S642 WeakPolarHBondContact O-CB 3.42Å; D638-S642 PolarHBondContact O-N 2.87Å |
| 639 | T | 43.4 | Very low | 44.6 | Very low | 34 Ų | 34 | 71.5 Ų | 71.5 | 21% | 0.209 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.1 | -23.8 | 175.5 | 70.6 | 0 | 0 | 0 | 0 | 115 | V635 N636 H637 R643 T749 | V635-T639 WeakPolarHBondContact O-CG2 3.33Å; V635-T639 PolarHBondContact O-N 3.24Å; N636-T639 PolarHBondContact O-N 3.24Å; N636-T639 PolarHBondContact O-OG1 2.79Å; H637-T639 VanDerWaalsContact C-N 3.31Å; H637-T639 PolarHBondContact O-N 3.05Å; T639-R643 VanDerWaalsContact O-CG 3.29Å; T639-R643 WeakPolarHBondContact O-CG 3.4Å; T639-T749 HydrophobicContact CG2-CG2 4.43Å |
| 640 | Q | 44.4 | Very low | 44.4 | Very low | 139 Ų | 139 | 72.6 Ų | 72.6 | 65% | 0.65 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -76.8 | -39 | 179.6 | -65.4 | -164.6 | 14.7 | 0 | 0 | 111.7 | N636 H637 D638 | N636-Q640 PolarHBondContact O-N 3.11Å; H637-Q640 PolarHBondContact O-N 3.33Å; H637-Q640 VanDerWaalsContact O-N 3.1Å; D638-Q640 VanDerWaalsContact C-N 3.26Å; D638-Q640 PolarHBondContact O-N 2.72Å |
| 641 | H | 43.5 | Very low | 44.3 | Very low | 54 Ų | 54 | 75.5 Ų | 75.5 | 25% | 0.25 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -86.8 | -35.3 | 176.9 | -70.7 | -93.5 | 0 | 0 | 0 | 112.9 | E561 D638 R643 K644 | E561-H641 IonicContact OE1-CE1 2.74Å; E561-H641 IonicContact OE1-ND1 2.83Å; E561-H641 PolarHBondContact OE1-ND1 3.07Å; D638-H641 PolarHBondContact O-N 3.19Å; H641-R643 PolarHBondContact O-N 3.08Å; H641-R643 VanDerWaalsContact O-N 3.16Å; H641-K644 WeakPolarHBondContact O-CB 3.45Å; H641-K644 PolarHBondContact O-N 3.45Å |
| 642 | S | 39.6 | Very low | 44.3 | Very low | 41 Ų | 41 | 76.7 Ų | 76.7 | 29% | 0.287 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -55.5 | -32.3 | 175.3 | 179.4 | 0 | 0 | 0 | 0 | 112.9 | D638 K644 N645 | D638-S642 WeakPolarHBondContact O-CB 3.42Å; D638-S642 PolarHBondContact O-N 2.87Å; S642-K644 PolarHBondContact O-N 2.97Å; S642-N645 CarbonylContact O-C 3.52Å; S642-N645 PolarHBondContact O-N 2.77Å |
| 643 | R | 40.5 | Very low | 44.2 | Very low | 207 Ų | 207 | 76.7 Ų | 76.7 | 78% | 0.781 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -24.9 | 173.9 | -80.4 | 175 | -173.5 | -152.2 | 2.6 | 114.6 | T639 H641 | T639-R643 VanDerWaalsContact O-CG 3.29Å; T639-R643 WeakPolarHBondContact O-CG 3.4Å; H641-R643 PolarHBondContact O-N 3.08Å; H641-R643 VanDerWaalsContact O-N 3.16Å |
| 644 | K | 43.9 | Very low | 43.9 | Very low | 133 Ų | 133 | 73 Ų | 73 | 58% | 0.578 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -22.1 | 173.7 | -69 | -176.6 | -178.7 | 171.9 | 0 | 113.1 | E561 H641 S642 | E561-K644 IonicContact OE1-NZ 3.54Å; E561-K644 PolarHBondContact OE1-NZ 3.22Å; E561-K644 IonicContact OE2-NZ 2.66Å; E561-K644 PolarHBondContact OE2-NZ 2.84Å; H641-K644 WeakPolarHBondContact O-CB 3.45Å; H641-K644 PolarHBondContact O-N 3.45Å; S642-K644 PolarHBondContact O-N 2.97Å |
| 645 | N | 37.7 | Very low | 43.8 | Very low | 107 Ų | 107 | 73.2 Ų | 73.2 | 57% | 0.572 | 36% | 0.356 | S | S | * | . | trans | -151.6 | 87.4 | -176.2 | -117.5 | -47.8 | 0 | 0 | 0 | 111 | S642 F647 V648 | S642-N645 CarbonylContact O-C 3.52Å; S642-N645 PolarHBondContact O-N 2.77Å; N645-F647 PolarHBondContact O-N 3.21Å; N645-V648 WeakPolarHBondContact O-CG2 3.47Å | ||
| 646 | P | 39.7 | Very low | 43.8 | Very low | 97 Ų | 97 | 73.8 Ų | 73.8 | 63% | 0.63 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -70.3 | -8.4 | -179.2 | 28.8 | -35.4 | 0 | 0 | 0 | 113.6 | V648 | P646-V648 VanDerWaalsContact C-N 3.32Å; P646-V648 PolarHBondContact O-N 2.63Å |
| 647 | F | 37.7 | Very low | 43.7 | Very low | 176 Ų | 176 | 73.3 Ų | 73.3 | 77% | 0.772 | 36% | 0.357 | S | S | * | . | trans | -95 | 52.9 | 176.1 | -58 | -71.8 | 0 | 0 | 0 | 111.7 | N645 E649 | N645-F647 PolarHBondContact O-N 3.21Å; F647-E649 PolarHBondContact O-N 3.21Å; F647-E649 VanDerWaalsContact O-N 3.13Å | ||
| 648 | V | 42.7 | Very low | 43.7 | Very low | 42 Ų | 42 | 74.8 Ų | 74.8 | 26% | 0.255 | 36% | 0.364 | S | S | . | . | trans | -64.2 | 110.2 | 169.1 | -173.3 | 0 | 0 | 0 | 0 | 107.7 | N645 P646 R652 L653 | N645-V648 WeakPolarHBondContact O-CG2 3.47Å; P646-V648 VanDerWaalsContact C-N 3.32Å; P646-V648 PolarHBondContact O-N 2.63Å; V648-R652 HydrophobicContact CG1-CB 3.96Å; V648-R652 HydrophobicContact CG1-CG 4.07Å; V648-L653 HydrophobicContact CB-CD1 3.93Å; V648-L653 HydrophobicContact CG1-CD1 3.44Å; V648-L653 VanDerWaalsContact CG1-CD1 3.44Å | ||
| 649 | E | 45.4 | Very low | 44 | Very low | 80 Ų | 80 | 73.7 Ų | 73.7 | 37% | 0.374 | 36% | 0.358 | S | S | . | . | trans | -62.7 | 142 | -173.3 | -71.8 | 175.7 | 154.9 | 0 | 0 | 111.7 | K597 F647 E651 R652 | K597-E649 WeakPolarHBondContact CG-OE2 3.47Å; K597-E649 IonicContact NZ-OE1 2.6Å; K597-E649 PolarHBondContact NZ-OE1 2.77Å; K597-E649 IonicContact NZ-OE2 2.67Å; F647-E649 PolarHBondContact O-N 3.21Å; F647-E649 VanDerWaalsContact O-N 3.13Å; E649-E651 VanDerWaalsContact C-N 3.27Å; E649-E651 PolarHBondContact O-N 2.72Å; E649-E651 VanDerWaalsContact O-N 3.11Å; E649-R652 WeakPolarHBondContact O-CA 3.38Å; E649-R652 WeakPolarHBondContact O-CB 3.44Å; E649-R652 PolarHBondContact O-N 2.81Å | ||
| 650 | V | 42.5 | Very low | 44.3 | Very low | 42 Ų | 42 | 72.2 Ų | 72.2 | 26% | 0.255 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -63.7 | -29.2 | -160 | -173.5 | 0 | 0 | 0 | 0 | 114.1 | R652 L653 V756 T760 | V650-R652 PolarHBondContact O-N 2.97Å; V650-L653 PolarHBondContact O-N 3.03Å; V650-L653 VanDerWaalsContact O-N 3.09Å; V650-V756 HydrophobicContact CB-CG1 4.02Å; V650-V756 HydrophobicContact CG1-CG1 3.62Å; V650-V756 HydrophobicContact CG2-CG1 3.43Å; V650-V756 VanDerWaalsContact CG2-CG1 3.43Å; V650-T760 HydrophobicContact CB-CG2 3.95Å; V650-T760 HydrophobicContact CG1-CG2 3.59Å; V650-T760 VanDerWaalsContact CG1-OG1 3.29Å; V650-T760 WeakPolarHBondContact CG1-OG1 3.44Å; V650-T760 HydrophobicContact CG2-CG2 3.91Å |
| 651 | E | 44.5 | Very low | 44.3 | Very low | 108 Ų | 108 | 71.5 Ų | 71.5 | 51% | 0.505 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -56.2 | -33 | 173.6 | -61.6 | -174.7 | -166 | 0 | 0 | 111.8 | R602 E649 L653 P655 | R602-E651 IonicContact CZ-OE2 3.79Å; R602-E651 IonicContact NE-OE2 3.71Å; R602-E651 PolarHBondContact NE-OE2 3.03Å; R602-E651 IonicContact NH2-OE1 3.66Å; R602-E651 IonicContact NH2-OE2 2.84Å; R602-E651 PolarHBondContact NH2-OE2 2.95Å; E649-E651 VanDerWaalsContact C-N 3.27Å; E649-E651 PolarHBondContact O-N 2.72Å; E649-E651 VanDerWaalsContact O-N 3.11Å; E651-L653 VanDerWaalsContact C-N 3.32Å; E651-L653 PolarHBondContact O-N 3.36Å; E651-P655 WeakPolarHBondContact O-CD 3.43Å |
| 652 | R | 44.6 | Very low | 44.4 | Very low | 48 Ų | 48 | 70.7 Ų | 70.7 | 18% | 0.181 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -70.2 | -25 | -179.5 | -152.2 | 174.8 | -94.4 | -144.6 | -22.8 | 112.6 | Q592 G595 D596 V648 E649 V650 V656 | Q592-R652 VanDerWaalsContact O-CD 3.32Å; Q592-R652 WeakPolarHBondContact O-CD 3.41Å; Q592-R652 WeakPolarHBondContact O-CG 3.37Å; Q592-R652 PolarHBondContact O-NE 3.06Å; Q592-R652 PolarHBondContact O-NH2 2.81Å; G595-R652 PolarHBondContact O-NE 3.39Å; D596-R652 VanDerWaalsContact CA-NH2 3.26Å; D596-R652 IonicContact OD2-NH2 3.32Å; D596-R652 PolarHBondContact OD2-NH2 3.19Å; V648-R652 HydrophobicContact CG1-CB 3.96Å; V648-R652 HydrophobicContact CG1-CG 4.07Å; E649-R652 WeakPolarHBondContact O-CA 3.38Å; E649-R652 WeakPolarHBondContact O-CB 3.44Å; E649-R652 PolarHBondContact O-N 2.81Å; V650-R652 PolarHBondContact O-N 2.97Å; R652-V656 WeakPolarHBondContact O-CG2 3.47Å |
| 653 | L | 46.4 | Very low | 44.8 | Very low | 17 Ų | 17 | 69 Ų | 69 | 9% | 0.089 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -83 | -28.2 | -177.6 | -90 | 64.7 | 0 | 0 | 0 | 113.8 | V648 V650 E651 V656 V657 L753 V756 V757 | V648-L653 HydrophobicContact CB-CD1 3.93Å; V648-L653 HydrophobicContact CG1-CD1 3.44Å; V648-L653 VanDerWaalsContact CG1-CD1 3.44Å; V650-L653 PolarHBondContact O-N 3.03Å; V650-L653 VanDerWaalsContact O-N 3.09Å; E651-L653 VanDerWaalsContact C-N 3.32Å; E651-L653 PolarHBondContact O-N 3.36Å; L653-V656 WeakPolarHBondContact O-CB 3.46Å; L653-V656 PolarHBondContact O-N 3.19Å; L653-V657 WeakPolarHBondContact O-CG2 3.21Å; L653-V657 PolarHBondContact O-N 3.15Å; L653-L753 HydrophobicContact CB-CD2 4.34Å; L653-L753 HydrophobicContact CD2-CB 4.17Å; L653-L753 HydrophobicContact CD2-CD2 4.36Å; L653-L753 HydrophobicContact CD2-CG 3.81Å; L653-L753 HydrophobicContact CG-CD2 3.93Å; L653-L753 HydrophobicContact CG-CG 3.91Å; L653-V756 HydrophobicContact CD2-CB 3.81Å; L653-V756 HydrophobicContact CD2-CG1 3.78Å; L653-V756 HydrophobicContact CD2-CG2 4.44Å; L653-V757 HydrophobicContact CB-CG2 4.46Å |
| 654 | I | 45.8 | Very low | 45.1 | Very low | 39 Ų | 39 | 59.5 Ų | 59.5 | 20% | 0.2 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.5 | -46.6 | -169.4 | -63.2 | 169.4 | 0 | 0 | 0 | 112 | V656 V657 Q658 V757 | I654-V656 VanDerWaalsContact C-N 3.28Å; I654-V656 PolarHBondContact O-N 3.07Å; I654-V657 PolarHBondContact O-N 2.79Å; I654-Q658 PolarHBondContact O-N 3.45Å; I654-Q658 VanDerWaalsContact O-N 3.11Å; I654-V757 HydrophobicContact CG1-CG1 4.44Å; I654-V757 HydrophobicContact CG1-CG2 4.1Å |
| 655 | P | 45.6 | Very low | 45.1 | Very low | 21 Ų | 21 | 56.4 Ų | 56.4 | 14% | 0.136 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65 | -32.1 | 173.9 | -21.5 | 34.9 | 0 | 0 | 0 | 112.5 | L591 L594 E651 Q658 F659 | L591-P655 HydrophobicContact CD2-CB 4.28Å; L594-P655 HydrophobicContact CB-CG 4.11Å; L594-P655 HydrophobicContact CD1-CB 3.53Å; L594-P655 HydrophobicContact CD1-CG 3.8Å; E651-P655 WeakPolarHBondContact O-CD 3.43Å; P655-Q658 PolarHBondContact O-N 3.31Å; P655-F659 VanDerWaalsContact O-CB 3.27Å; P655-F659 WeakPolarHBondContact O-CB 3.4Å; P655-F659 PolarHBondContact O-N 3.07Å |
| 656 | V | 49.2 | Very low | 45.3 | Very low | 17 Ų | 17 | 52.7 Ų | 52.7 | 10% | 0.103 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 175.8 | 176.7 | 0 | 0 | 0 | 0 | 110.9 | L591 F634 R652 L653 I654 F659 I660 L753 | L591-V656 HydrophobicContact CB-CG2 4.4Å; L591-V656 HydrophobicContact CD2-CG2 4.06Å; F634-V656 HydrophobicContact CE1-CG1 3.85Å; F634-V656 HydrophobicContact CZ-CG1 4.07Å; R652-V656 WeakPolarHBondContact O-CG2 3.47Å; L653-V656 WeakPolarHBondContact O-CB 3.46Å; L653-V656 PolarHBondContact O-N 3.19Å; I654-V656 VanDerWaalsContact C-N 3.28Å; I654-V656 PolarHBondContact O-N 3.07Å; V656-F659 PolarHBondContact O-N 3.37Å; V656-I660 HydrophobicContact CG1-CD1 4.05Å; V656-I660 WeakPolarHBondContact O-CB 3.3Å; V656-I660 VanDerWaalsContact O-CG1 3.24Å; V656-I660 WeakPolarHBondContact O-CG1 3.47Å; V656-I660 PolarHBondContact O-N 3.01Å; V656-L753 HydrophobicContact CB-CD2 4.25Å; V656-L753 HydrophobicContact CG1-CD2 3.77Å |
| 657 | V | 48.8 | Very low | 45.5 | Very low | 15 Ų | 15 | 50.6 Ų | 50.6 | 9% | 0.091 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.4 | -39.8 | 174.5 | 174.3 | 0 | 0 | 0 | 0 | 112.1 | L653 I654 I660 R661 L753 V757 | L653-V657 WeakPolarHBondContact O-CG2 3.21Å; L653-V657 PolarHBondContact O-N 3.15Å; I654-V657 PolarHBondContact O-N 2.79Å; V657-I660 PolarHBondContact O-N 2.79Å; V657-R661 PolarHBondContact O-N 2.96Å; V657-L753 HydrophobicContact CG2-CB 4.03Å; V657-L753 HydrophobicContact CG2-CD2 3.83Å; V657-V757 HydrophobicContact CG2-CG2 4.37Å |
| 658 | Q | 47.7 | Very low | 45.5 | Very low | 120 Ų | 120 | 46.1 Ų | 46.1 | 56% | 0.561 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -66.2 | -38.2 | 175.4 | -71.6 | -178.6 | -29.8 | 0 | 0 | 112.4 | I654 P655 R661 L662 | I654-Q658 PolarHBondContact O-N 3.45Å; I654-Q658 VanDerWaalsContact O-N 3.11Å; P655-Q658 PolarHBondContact O-N 3.31Å; Q658-R661 WeakPolarHBondContact O-CB 3.35Å; Q658-R661 PolarHBondContact O-N 3.43Å; Q658-L662 PolarHBondContact O-N 3.27Å |
| 659 | F | 50 | Low | 45.4 | Very low | 11 Ų | 11 | 48.5 Ų | 48.5 | 5% | 0.048 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.4 | -44.9 | 173.3 | -175.8 | -107 | 0 | 0 | 0 | 111.2 | L591 F612 L628 F634 P655 V656 R661 L662 C663 | L591-F659 HydrophobicContact CD1-CD1 4.17Å; L591-F659 HydrophobicContact CD1-CE1 4.42Å; L591-F659 HydrophobicContact CD1-CG 4.45Å; L591-F659 HydrophobicContact CD2-CB 4.42Å; F612-F659 HydrophobicContact CD1-CE2 4.27Å; F612-F659 HydrophobicContact CE1-CD2 4.4Å; F612-F659 AromaticContact CE1-CE2 3.62Å; F612-F659 HydrophobicContact CE1-CE2 3.62Å; F612-F659 AromaticContact CZ-CE2 3.93Å; F612-F659 HydrophobicContact CZ-CE2 3.93Å; L628-F659 HydrophobicContact CG-CZ 4.5Å; F634-F659 HydrophobicContact CD2-CD1 4.4Å; F634-F659 AromaticContact CD2-CE1 3.94Å; F634-F659 HydrophobicContact CD2-CE1 3.94Å; F634-F659 HydrophobicContact CE1-CD1 4.01Å; F634-F659 HydrophobicContact CE1-CE1 4.47Å; F634-F659 AromaticContact CE2-CD1 3.8Å; F634-F659 HydrophobicContact CE2-CD1 3.8Å; F634-F659 AromaticContact CE2-CE1 3.64Å; F634-F659 HydrophobicContact CE2-CE1 3.64Å; F634-F659 HydrophobicContact CG-CE1 4.48Å; F634-F659 AromaticContact CZ-CD1 3.58Å; F634-F659 HydrophobicContact CZ-CD1 3.58Å; F634-F659 AromaticContact CZ-CE1 3.94Å; F634-F659 HydrophobicContact CZ-CE1 3.94Å; P655-F659 VanDerWaalsContact O-CB 3.27Å; P655-F659 WeakPolarHBondContact O-CB 3.4Å; P655-F659 PolarHBondContact O-N 3.07Å; V656-F659 PolarHBondContact O-N 3.37Å; F659-R661 VanDerWaalsContact C-N 3.25Å; F659-R661 PolarHBondContact O-N 2.91Å; F659-L662 CarbonylContact O-C 3.58Å; F659-L662 WeakPolarHBondContact O-CA 3.35Å; F659-L662 WeakPolarHBondContact O-CB 3.42Å; F659-L662 PolarHBondContact O-N 2.79Å; F659-C663 WeakPolarHBondContact CE1-SG 3.46Å; F659-C663 PolarHBondContact O-N 3.47Å; F659-C663 PolarHBondContact O-SG 2.9Å |
| 660 | I | 49.4 | Very low | 44.9 | Very low | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -55.7 | -38.7 | 173.1 | -74.4 | 165.3 | 0 | 0 | 0 | 111.8 | F631 F634 V635 V656 V657 C663 L664 Y750 | F631-I660 HydrophobicContact CD2-CG2 4.01Å; F631-I660 HydrophobicContact CE2-CG2 3.79Å; F634-I660 HydrophobicContact CD1-CD1 4.4Å; F634-I660 HydrophobicContact CD1-CG1 3.99Å; F634-I660 HydrophobicContact CE1-CD1 4.08Å; F634-I660 HydrophobicContact CE1-CG1 3.77Å; V635-I660 HydrophobicContact CG2-CD1 4.31Å; V656-I660 HydrophobicContact CG1-CD1 4.05Å; V656-I660 WeakPolarHBondContact O-CB 3.3Å; V656-I660 VanDerWaalsContact O-CG1 3.24Å; V656-I660 WeakPolarHBondContact O-CG1 3.47Å; V656-I660 PolarHBondContact O-N 3.01Å; V657-I660 PolarHBondContact O-N 2.79Å; I660-C663 WeakPolarHBondContact O-CB 3.37Å; I660-C663 PolarHBondContact O-N 3.43Å; I660-L664 HydrophobicContact CG2-CD1 3.9Å; I660-L664 HydrophobicContact CG2-CG 4.37Å; I660-L664 WeakPolarHBondContact O-CG 3.41Å; I660-L664 PolarHBondContact O-N 2.73Å; I660-Y750 HydrophobicContact CD1-CD2 4.22Å; I660-Y750 HydrophobicContact CG2-CD2 3.97Å; I660-Y750 HydrophobicContact CG2-CE2 3.7Å |
| 661 | R | 45.5 | Very low | 44.5 | Very low | 124 Ų | 124 | 48.4 Ų | 48.4 | 47% | 0.468 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 174.1 | -178.1 | -175 | 174.6 | -156.1 | -0.8 | 112.4 | V657 Q658 F659 L665 I691 | V657-R661 PolarHBondContact O-N 2.96Å; Q658-R661 WeakPolarHBondContact O-CB 3.35Å; Q658-R661 PolarHBondContact O-N 3.43Å; F659-R661 VanDerWaalsContact C-N 3.25Å; F659-R661 PolarHBondContact O-N 2.91Å; R661-L665 PolarHBondContact O-N 2.97Å; R661-I691 HydrophobicContact CG-CG2 4.11Å |
| 662 | L | 45.6 | Very low | 44.2 | Very low | 38 Ų | 38 | 46.6 Ų | 46.6 | 20% | 0.199 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.4 | -39.6 | 173.6 | -73.1 | 163.5 | 0 | 0 | 0 | 111.7 | I618 Q658 F659 L665 A666 | I618-L662 HydrophobicContact CG2-CD2 4.3Å; Q658-L662 PolarHBondContact O-N 3.27Å; F659-L662 CarbonylContact O-C 3.58Å; F659-L662 WeakPolarHBondContact O-CA 3.35Å; F659-L662 WeakPolarHBondContact O-CB 3.42Å; F659-L662 PolarHBondContact O-N 2.79Å; L662-L665 WeakPolarHBondContact O-CB 3.3Å; L662-L665 PolarHBondContact O-N 2.78Å; L662-A666 PolarHBondContact O-N 3.3Å |
| 663 | C | 47.5 | Very low | 43.8 | Very low | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.027 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 174.6 | -58.6 | 0 | 0 | 0 | 0 | 112.2 | L628 F659 I660 L665 A666 T667 | L628-C663 HydrophobicContact CD2-CB 4.11Å; L628-C663 VanDerWaalsContact CD2-SG 3.59Å; F659-C663 WeakPolarHBondContact CE1-SG 3.46Å; F659-C663 PolarHBondContact O-N 3.47Å; F659-C663 PolarHBondContact O-SG 2.9Å; I660-C663 WeakPolarHBondContact O-CB 3.37Å; I660-C663 PolarHBondContact O-N 3.43Å; C663-L665 VanDerWaalsContact C-N 3.29Å; C663-L665 PolarHBondContact O-N 3.07Å; C663-A666 PolarHBondContact O-N 2.87Å; C663-T667 WeakPolarHBondContact O-CG2 3.21Å; C663-T667 PolarHBondContact O-N 3.34Å |
| 664 | L | 46.2 | Very low | 43.4 | Very low | 8 Ų | 8 | 52.2 Ų | 52.2 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.2 | -32.2 | -178.7 | -72.2 | 168.6 | 0 | 0 | 0 | 112.5 | F631 I660 A666 T667 V695 F698 | F631-L664 HydrophobicContact CD2-CD2 4.32Å; F631-L664 HydrophobicContact CG-CD2 4.39Å; I660-L664 HydrophobicContact CG2-CD1 3.9Å; I660-L664 HydrophobicContact CG2-CG 4.37Å; I660-L664 WeakPolarHBondContact O-CG 3.41Å; I660-L664 PolarHBondContact O-N 2.73Å; L664-A666 VanDerWaalsContact C-N 3.32Å; L664-A666 PolarHBondContact O-N 3.38Å; L664-T667 WeakPolarHBondContact CA-OG1 3.44Å; L664-T667 PolarHBondContact O-N 3.45Å; L664-T667 PolarHBondContact O-OG1 3.42Å; L664-V695 HydrophobicContact CD1-CG2 4.3Å; L664-F698 HydrophobicContact CD2-CD2 3.78Å; L664-F698 HydrophobicContact CD2-CE2 4.18Å; L664-F698 HydrophobicContact CD2-CG 4.08Å |
| 665 | L | 44.1 | Very low | 43.2 | Very low | 68 Ų | 68 | 54.8 Ų | 54.8 | 36% | 0.356 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.7 | -37.9 | 170.3 | -99.3 | 155.5 | 0 | 0 | 0 | 112.7 | R661 L662 C663 I691 | R661-L665 PolarHBondContact O-N 2.97Å; L662-L665 WeakPolarHBondContact O-CB 3.3Å; L662-L665 PolarHBondContact O-N 2.78Å; C663-L665 VanDerWaalsContact C-N 3.29Å; C663-L665 PolarHBondContact O-N 3.07Å; L665-I691 HydrophobicContact CD1-CD1 3.94Å; L665-I691 HydrophobicContact CD1-CG1 4.12Å; L665-I691 HydrophobicContact CD2-CG1 4.27Å; L665-I691 HydrophobicContact CG-CG1 4.21Å |
| 666 | A | 43.6 | Very low | 42.7 | Very low | 29 Ų | 29 | 58.2 Ų | 58.2 | 24% | 0.24 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -84.7 | -6.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | I621 L662 C663 L664 | I621-A666 HydrophobicContact CG2-CB 3.85Å; L662-A666 PolarHBondContact O-N 3.3Å; C663-A666 PolarHBondContact O-N 2.87Å; L664-A666 VanDerWaalsContact C-N 3.32Å; L664-A666 PolarHBondContact O-N 3.38Å |
| 667 | T | 42.6 | Very low | 42.2 | Very low | 54 Ų | 54 | 60.5 Ų | 60.5 | 33% | 0.331 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -7.7 | -177.5 | 46.4 | 0 | 0 | 0 | 0 | 115.6 | C663 L664 F698 | C663-T667 WeakPolarHBondContact O-CG2 3.21Å; C663-T667 PolarHBondContact O-N 3.34Å; L664-T667 WeakPolarHBondContact CA-OG1 3.44Å; L664-T667 PolarHBondContact O-N 3.45Å; L664-T667 PolarHBondContact O-OG1 3.42Å; T667-F698 VanDerWaalsContact OG1-CE2 3.24Å; T667-F698 WeakPolarHBondContact OG1-CE2 3.5Å; T667-F698 WeakPolarHBondContact OG1-CZ 3.32Å |
| 668 | H | 38.3 | Very low | 41.4 | Very low | 81 Ų | 81 | 61.3 Ų | 61.3 | 38% | 0.375 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -78.9 | 129.7 | 156.6 | -65.2 | -66.4 | 0 | 0 | 0 | 107.9 | G670 T694 Y697 | H668-G670 PolarHBondContact O-N 3.15Å; H668-T694 WeakPolarHBondContact NE2-CA 3.35Å; H668-T694 WeakPolarHBondContact NE2-CB 3.45Å; H668-T694 WeakPolarHBondContact NE2-CG2 3.49Å; H668-T694 PolarHBondContact NE2-OG1 2.87Å; H668-Y697 AromaticContact CE1-CD1 3.63Å; H668-Y697 AromaticContact CE1-CG 3.97Å |
| 669 | G | 41.1 | Very low | 40.7 | Very low | 92 Ų | 92 | 58.3 Ų | 58.3 | 95% | 0.948 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -72.8 | 58.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 670 | G | 35 | Very low | 40.1 | Very low | 42 Ų | 42 | 62 Ų | 62 | 43% | 0.433 | 39% | 0.39 | S | S | . | . | S | Bend | trans | 85 | 138.4 | -166.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | H668 | H668-G670 PolarHBondContact O-N 3.15Š|
| 671 | L | 32.9 | Very low | 39.5 | Very low | 78 Ų | 78 | 70.4 Ų | 70.4 | 41% | 0.408 | 42% | 0.423 | S | S | . | . | trans | -68.1 | 139.2 | 165.9 | -73.2 | 165 | 0 | 0 | 0 | 109.3 | Q675 L679 | L671-Q675 HydrophobicContact CD2-CB 4.2Å; L671-L679 HydrophobicContact CD1-CD2 3.99Å | ||
| 672 | T | 37.7 | Very low | 38.9 | Very low | 71 Ų | 71 | 67.2 Ų | 67.2 | 44% | 0.436 | 41% | 0.413 | S | S | . | . | trans | -75.4 | 151.1 | 172.2 | 63.9 | 0 | 0 | 0 | 0 | 110.6 | A674 Q675 E676 | T672-A674 PolarHBondContact O-N 3.45Å; T672-Q675 WeakPolarHBondContact O-CA 3.34Å; T672-Q675 WeakPolarHBondContact O-CB 3.33Å; T672-Q675 PolarHBondContact O-N 2.9Å; T672-Q675 PolarHBondContact OG1-OE1 3.14Å; T672-E676 PolarHBondContact O-N 3.46Å | ||
| 673 | P | 37.1 | Very low | 38.6 | Very low | 98 Ų | 98 | 68.8 Ų | 68.8 | 64% | 0.636 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -57.9 | -22.9 | 177.6 | -28.3 | 36.6 | 0 | 0 | 0 | 114.5 | Q675 A677 | P673-Q675 VanDerWaalsContact C-N 3.35Å; P673-A677 PolarHBondContact O-N 3.48Å; P673-A677 VanDerWaalsContact O-N 3.16Å |
| 674 | A | 38.8 | Very low | 38.1 | Very low | 85 Ų | 85 | 75.2 Ų | 75.2 | 70% | 0.702 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -70 | -29.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | T672 | T672-A674 PolarHBondContact O-N 3.45Å |
| 675 | Q | 39.6 | Very low | 37.8 | Very low | 93 Ų | 93 | 79.6 Ų | 79.6 | 44% | 0.435 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -84.8 | -32.1 | 173.7 | -64.8 | 163.5 | -68.1 | 0 | 0 | 111.6 | L671 T672 P673 A677 G678 L679 | L671-Q675 HydrophobicContact CD2-CB 4.2Å; T672-Q675 WeakPolarHBondContact O-CA 3.34Å; T672-Q675 WeakPolarHBondContact O-CB 3.33Å; T672-Q675 PolarHBondContact O-N 2.9Å; T672-Q675 PolarHBondContact OG1-OE1 3.14Å; P673-Q675 VanDerWaalsContact C-N 3.35Å; Q675-A677 VanDerWaalsContact C-N 3.28Å; Q675-A677 PolarHBondContact O-N 2.64Å; Q675-G678 WeakPolarHBondContact O-CA 3.42Å; Q675-G678 PolarHBondContact O-N 3.29Å; Q675-L679 PolarHBondContact O-N 2.95Å |
| 676 | E | 36.3 | Very low | 37.8 | Very low | 93 Ų | 93 | 77.9 Ų | 77.9 | 44% | 0.435 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -58.2 | -39.6 | 171.8 | -168.8 | 172.9 | -139.5 | 0 | 0 | 111.8 | T672 G678 T680 | T672-E676 PolarHBondContact O-N 3.46Å; E676-G678 PolarHBondContact O-N 3.34Å; E676-T680 WeakPolarHBondContact O-CG2 3.41Å; E676-T680 PolarHBondContact O-N 3.18Å; E676-T680 PolarHBondContact O-OG1 3.39Å |
| 677 | A | 38 | Very low | 37.7 | Very low | 65 Ų | 65 | 79.4 Ų | 79.4 | 54% | 0.537 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.5 | -16.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | P673 Q675 | P673-A677 PolarHBondContact O-N 3.48Å; P673-A677 VanDerWaalsContact O-N 3.16Å; Q675-A677 VanDerWaalsContact C-N 3.28Å; Q675-A677 PolarHBondContact O-N 2.64Å |
| 678 | G | 33.5 | Very low | 37.7 | Very low | 32 Ų | 32 | 79.3 Ų | 79.3 | 33% | 0.33 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -87.1 | -59.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q675 E676 T680 Y681 | Q675-G678 WeakPolarHBondContact O-CA 3.42Å; Q675-G678 PolarHBondContact O-N 3.29Å; E676-G678 PolarHBondContact O-N 3.34Å; G678-T680 PolarHBondContact O-N 2.94Å; G678-Y681 PolarHBondContact O-N 3.45Å; G678-Y681 VanDerWaalsContact O-N 3.13Å |
| 679 | L | 32.3 | Very low | 38.1 | Very low | 57 Ų | 57 | 80 Ų | 80 | 30% | 0.298 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59 | -23.6 | -174.1 | -91.8 | 70.8 | 0 | 0 | 0 | 114 | L671 Q675 Y681 E682 L690 | L671-L679 HydrophobicContact CD1-CD2 3.99Å; Q675-L679 PolarHBondContact O-N 2.95Å; L679-Y681 PolarHBondContact O-N 2.85Å; L679-E682 PolarHBondContact O-N 3.25Å; L679-L690 HydrophobicContact CD1-CD1 3.67Å; L679-L690 HydrophobicContact CD1-CD2 4.22Å |
| 680 | T | 37.5 | Very low | 38.3 | Very low | 89 Ų | 89 | 78.1 Ų | 78.1 | 55% | 0.546 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -5 | 177.7 | 38.6 | 0 | 0 | 0 | 0 | 114.8 | E676 G678 | E676-T680 WeakPolarHBondContact O-CG2 3.41Å; E676-T680 PolarHBondContact O-N 3.18Å; E676-T680 PolarHBondContact O-OG1 3.39Å; G678-T680 PolarHBondContact O-N 2.94Å |
| 681 | Y | 36.1 | Very low | 38.7 | Very low | 177 Ų | 177 | 76.9 Ų | 76.9 | 69% | 0.694 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.9 | -3.5 | 177.9 | -65.9 | -82 | 0 | 0 | 0 | 114.9 | G678 L679 | G678-Y681 PolarHBondContact O-N 3.45Å; G678-Y681 VanDerWaalsContact O-N 3.13Å; L679-Y681 PolarHBondContact O-N 2.85Å |
| 682 | E | 32.4 | Very low | 39.4 | Very low | 58 Ų | 58 | 74 Ų | 74 | 27% | 0.271 | 40% | 0.401 | S | S | . | . | trans | -80.1 | 141.2 | -166.2 | -74.3 | -176.4 | -165.9 | 0 | 0 | 114.3 | L679 E686 V687 | L679-E682 PolarHBondContact O-N 3.25Å; E682-E686 HydrophobicContact CB-CB 3.71Å; E682-E686 HydrophobicContact CG-CB 3.71Å; E682-V687 HydrophobicContact CB-CG2 4Å | ||
| 683 | T | 39.8 | Very low | 39.8 | Very low | 71 Ų | 71 | 76 Ų | 76 | 44% | 0.436 | 41% | 0.405 | S | S | . | . | trans | -76 | 169 | 169.9 | 60.6 | 0 | 0 | 0 | 0 | 111.5 | E685 E686 V687 | T683-E685 PolarHBondContact O-N 2.93Å; T683-E685 VanDerWaalsContact O-N 3.17Å; T683-E685 PolarHBondContact OG1-N 3.45Å; T683-E686 WeakPolarHBondContact CB-OE2 3.42Å; T683-E686 WeakPolarHBondContact CG2-OE2 3.47Å; T683-E686 PolarHBondContact N-OE2 3.25Å; T683-E686 PolarHBondContact O-N 3.35Å; T683-E686 VanDerWaalsContact O-N 3.13Å; T683-E686 PolarHBondContact OG1-N 2.75Å; T683-E686 PolarHBondContact OG1-OE2 3.24Å; T683-V687 PolarHBondContact O-N 3.18Å | ||
| 684 | E | 37.6 | Very low | 40.2 | Very low | 139 Ų | 139 | 72 Ų | 72 | 65% | 0.65 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -55.9 | -31.1 | 170.9 | -75.2 | -164.8 | 163.7 | 0 | 0 | 112.7 | R688 | E684-R688 VanDerWaalsContact C-NH1 3.26Å; E684-R688 WeakPolarHBondContact O-CB 3.48Å; E684-R688 PolarHBondContact O-N 2.98Å; E684-R688 PolarHBondContact O-NH1 3.05Å; E684-R688 IonicContact OE2-NH2 3.3Å |
| 685 | E | 40.1 | Very low | 40.5 | Very low | 100 Ų | 100 | 68.4 Ų | 68.4 | 47% | 0.467 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.5 | -41.4 | 178.5 | -60.3 | -173.7 | 154 | 0 | 0 | 111.3 | T683 R688 Y689 Y1123 | T683-E685 PolarHBondContact O-N 2.93Å; T683-E685 VanDerWaalsContact O-N 3.17Å; T683-E685 PolarHBondContact OG1-N 3.45Å; E685-R688 PolarHBondContact O-N 3.14Å; E685-Y689 WeakPolarHBondContact O-CB 3.12Å; E685-Y689 PolarHBondContact O-N 3.32Å; E685-Y1123 HydrophobicContact CB-CD1 4.46Å; E685-Y1123 HydrophobicContact CB-CE1 4.29Å; E685-Y1123 WeakPolarHBondContact OE2-CE1 3.44Å |
| 686 | E | 42.4 | Very low | 40.8 | Very low | 31 Ų | 31 | 69.2 Ų | 69.2 | 15% | 0.145 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -73.5 | -43.4 | 179 | -71.5 | 151.7 | 144.5 | 0 | 0 | 111.8 | E682 T683 R688 Y689 L690 | E682-E686 HydrophobicContact CB-CB 3.71Å; E682-E686 HydrophobicContact CG-CB 3.71Å; T683-E686 WeakPolarHBondContact CB-OE2 3.42Å; T683-E686 WeakPolarHBondContact CG2-OE2 3.47Å; T683-E686 PolarHBondContact N-OE2 3.25Å; T683-E686 PolarHBondContact O-N 3.35Å; T683-E686 VanDerWaalsContact O-N 3.13Å; T683-E686 PolarHBondContact OG1-N 2.75Å; T683-E686 PolarHBondContact OG1-OE2 3.24Å; E686-R688 VanDerWaalsContact C-N 3.28Å; E686-R688 PolarHBondContact O-N 2.81Å; E686-Y689 WeakPolarHBondContact O-CB 3.39Å; E686-Y689 PolarHBondContact O-N 3.49Å; E686-L690 WeakPolarHBondContact O-CB 3.27Å; E686-L690 PolarHBondContact O-N 2.92Å |
| 687 | V | 42.4 | Very low | 41.3 | Very low | 61 Ų | 61 | 71.1 Ų | 71.1 | 37% | 0.37 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.8 | -36.2 | 173.1 | 176.4 | 0 | 0 | 0 | 0 | 111.6 | E682 T683 I691 | E682-V687 HydrophobicContact CB-CG2 4Å; T683-V687 PolarHBondContact O-N 3.18Å; V687-I691 HydrophobicContact CG1-CD1 4.09Å; V687-I691 WeakPolarHBondContact O-CD1 3.3Å; V687-I691 VanDerWaalsContact O-CG1 3.29Å; V687-I691 WeakPolarHBondContact O-CG1 3.39Å; V687-I691 PolarHBondContact O-N 3.47Å |
| 688 | R | 42.8 | Very low | 41.7 | Very low | 52 Ų | 52 | 70.4 Ų | 70.4 | 20% | 0.196 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.5 | -49.3 | 174.3 | -173.7 | -176.7 | -71.2 | 98.4 | -10.6 | 110.3 | E684 E685 E686 L690 I691 N692 D770 | E684-R688 VanDerWaalsContact C-NH1 3.26Å; E684-R688 WeakPolarHBondContact O-CB 3.48Å; E684-R688 PolarHBondContact O-N 2.98Å; E684-R688 PolarHBondContact O-NH1 3.05Å; E684-R688 IonicContact OE2-NH2 3.3Å; E685-R688 PolarHBondContact O-N 3.14Å; E686-R688 VanDerWaalsContact C-N 3.28Å; E686-R688 PolarHBondContact O-N 2.81Å; R688-L690 PolarHBondContact O-N 3.35Å; R688-I691 PolarHBondContact O-N 2.99Å; R688-N692 PolarHBondContact O-N 3.15Å; R688-N692 VanDerWaalsContact O-N 3.15Å; R688-N692 PolarHBondContact O-ND2 2.89Å; R688-D770 IonicContact CZ-OD2 3.54Å; R688-D770 IonicContact NE-OD2 2.77Å; R688-D770 IonicContact NH2-OD2 3.26Å; R688-D770 PolarHBondContact NH2-OD2 2.91Å |
| 689 | Y | 46.1 | Very low | 42.3 | Very low | 96 Ų | 96 | 69.3 Ų | 69.3 | 38% | 0.376 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -55.2 | -46.6 | 174.9 | 171.7 | -88.7 | 0 | 0 | 0 | 112.7 | E685 E686 I691 N692 Q693 | E685-Y689 WeakPolarHBondContact O-CB 3.12Å; E685-Y689 PolarHBondContact O-N 3.32Å; E686-Y689 WeakPolarHBondContact O-CB 3.39Å; E686-Y689 PolarHBondContact O-N 3.49Å; Y689-I691 PolarHBondContact O-N 2.86Å; Y689-N692 PolarHBondContact O-N 3.13Å; Y689-N692 VanDerWaalsContact O-N 3.12Å; Y689-Q693 PolarHBondContact O-N 3.35Å |
| 690 | L | 45.5 | Very low | 43 | Very low | 52 Ų | 52 | 69.7 Ų | 69.7 | 27% | 0.272 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.5 | -34.4 | -174.2 | -154.8 | 138.4 | 0 | 0 | 0 | 112.8 | L679 E686 R688 T694 | L679-L690 HydrophobicContact CD1-CD1 3.67Å; L679-L690 HydrophobicContact CD1-CD2 4.22Å; E686-L690 WeakPolarHBondContact O-CB 3.27Å; E686-L690 PolarHBondContact O-N 2.92Å; R688-L690 PolarHBondContact O-N 3.35Å; L690-T694 PolarHBondContact O-N 3Å; L690-T694 PolarHBondContact O-OG1 3.41Å |
| 691 | I | 44.4 | Very low | 43.3 | Very low | 16 Ų | 16 | 67.6 Ų | 67.6 | 8% | 0.082 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 169.5 | -69.1 | 166.2 | 0 | 0 | 0 | 110.6 | R661 L665 V687 R688 Y689 Q693 T694 V695 | R661-I691 HydrophobicContact CG-CG2 4.11Å; L665-I691 HydrophobicContact CD1-CD1 3.94Å; L665-I691 HydrophobicContact CD1-CG1 4.12Å; L665-I691 HydrophobicContact CD2-CG1 4.27Å; L665-I691 HydrophobicContact CG-CG1 4.21Å; V687-I691 HydrophobicContact CG1-CD1 4.09Å; V687-I691 WeakPolarHBondContact O-CD1 3.3Å; V687-I691 VanDerWaalsContact O-CG1 3.29Å; V687-I691 WeakPolarHBondContact O-CG1 3.39Å; V687-I691 PolarHBondContact O-N 3.47Å; R688-I691 PolarHBondContact O-N 2.99Å; Y689-I691 PolarHBondContact O-N 2.86Å; I691-Q693 PolarHBondContact O-N 3.48Å; I691-T694 WeakPolarHBondContact O-CB 3.45Å; I691-T694 PolarHBondContact O-N 3.42Å; I691-T694 VanDerWaalsContact O-N 3.14Å; I691-V695 PolarHBondContact O-N 2.9Å |
| 692 | N | 46.8 | Very low | 43.7 | Very low | 19 Ų | 19 | 60.2 Ų | 60.2 | 10% | 0.102 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -71.6 | -29.1 | -179.2 | -69.7 | -42 | 0 | 0 | 0 | 112.9 | R688 Y689 T694 V695 R696 E777 | R688-N692 PolarHBondContact O-N 3.15Å; R688-N692 VanDerWaalsContact O-N 3.15Å; R688-N692 PolarHBondContact O-ND2 2.89Å; Y689-N692 PolarHBondContact O-N 3.13Å; Y689-N692 VanDerWaalsContact O-N 3.12Å; N692-T694 VanDerWaalsContact C-N 3.31Å; N692-V695 PolarHBondContact O-N 2.74Å; N692-R696 PolarHBondContact O-N 2.85Å; N692-E777 WeakPolarHBondContact CB-OE1 3.49Å; N692-E777 PolarHBondContact ND2-OE1 2.95Å; N692-E777 PolarHBondContact ND2-OE2 2.89Å |
| 693 | Q | 46.8 | Very low | 44.1 | Very low | 111 Ų | 111 | 63.7 Ų | 63.7 | 52% | 0.519 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.4 | -37.1 | 168.3 | -171.5 | 170 | -4.3 | 0 | 0 | 111.7 | Y689 I691 R696 Y697 | Y689-Q693 PolarHBondContact O-N 3.35Å; I691-Q693 PolarHBondContact O-N 3.48Å; Q693-R696 PolarHBondContact O-N 3.09Å; Q693-Y697 PolarHBondContact O-N 3.1Å; Q693-Y697 VanDerWaalsContact O-N 3.14Å |
| 694 | T | 45 | Very low | 43.8 | Very low | 14 Ų | 14 | 67.8 Ų | 67.8 | 9% | 0.086 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.6 | -41 | 172.2 | -66.1 | 0 | 0 | 0 | 0 | 112.3 | H668 L690 I691 N692 R696 Y697 F698 | H668-T694 WeakPolarHBondContact NE2-CA 3.35Å; H668-T694 WeakPolarHBondContact NE2-CB 3.45Å; H668-T694 WeakPolarHBondContact NE2-CG2 3.49Å; H668-T694 PolarHBondContact NE2-OG1 2.87Å; L690-T694 PolarHBondContact O-N 3Å; L690-T694 PolarHBondContact O-OG1 3.41Å; I691-T694 WeakPolarHBondContact O-CB 3.45Å; I691-T694 PolarHBondContact O-N 3.42Å; I691-T694 VanDerWaalsContact O-N 3.14Å; N692-T694 VanDerWaalsContact C-N 3.31Å; T694-R696 VanDerWaalsContact C-N 3.35Å; T694-R696 PolarHBondContact O-N 3.09Å; T694-Y697 WeakPolarHBondContact O-CB 3.29Å; T694-Y697 PolarHBondContact O-N 3.17Å; T694-F698 HydrophobicContact CG2-CD2 4.04Å; T694-F698 HydrophobicContact CG2-CE2 3.97Å; T694-F698 WeakPolarHBondContact O-CD2 3.42Å; T694-F698 PolarHBondContact O-N 3.16Å |
| 695 | V | 45.6 | Very low | 43.5 | Very low | 11 Ų | 11 | 64.7 Ų | 64.7 | 7% | 0.067 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.7 | -45 | 174.3 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | L664 I691 N692 Y697 F698 L699 | L664-V695 HydrophobicContact CD1-CG2 4.3Å; I691-V695 PolarHBondContact O-N 2.9Å; N692-V695 PolarHBondContact O-N 2.74Å; V695-Y697 VanDerWaalsContact C-N 3.32Å; V695-Y697 PolarHBondContact O-N 3.27Å; V695-F698 PolarHBondContact O-N 3.43Å; V695-L699 HydrophobicContact CG1-CD1 3.84Å; V695-L699 WeakPolarHBondContact O-CG 3.5Å; V695-L699 PolarHBondContact O-N 2.94Å |
| 696 | R | 44.9 | Very low | 42.8 | Very low | 109 Ų | 109 | 66 Ų | 66 | 41% | 0.411 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63 | -35.2 | 176.3 | -68.1 | -165.5 | -165.4 | 178.3 | 6.3 | 113.1 | N692 Q693 T694 L699 S700 | N692-R696 PolarHBondContact O-N 2.85Å; Q693-R696 PolarHBondContact O-N 3.09Å; T694-R696 VanDerWaalsContact C-N 3.35Å; T694-R696 PolarHBondContact O-N 3.09Å; R696-L699 PolarHBondContact O-N 3.46Å; R696-S700 WeakPolarHBondContact O-CB 3.44Å; R696-S700 PolarHBondContact O-N 3.13Å; R696-S700 PolarHBondContact O-OG 3.05Å |
| 697 | Y | 47.5 | Very low | 42 | Very low | 133 Ų | 133 | 71.5 Ų | 71.5 | 52% | 0.522 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.3 | -52.8 | 176.7 | 178.3 | -100.9 | 0 | 0 | 0 | 111.5 | H668 Q693 T694 V695 L699 S700 A701 | H668-Y697 AromaticContact CE1-CD1 3.63Å; H668-Y697 AromaticContact CE1-CG 3.97Å; Q693-Y697 PolarHBondContact O-N 3.1Å; Q693-Y697 VanDerWaalsContact O-N 3.14Å; T694-Y697 WeakPolarHBondContact O-CB 3.29Å; T694-Y697 PolarHBondContact O-N 3.17Å; V695-Y697 VanDerWaalsContact C-N 3.32Å; V695-Y697 PolarHBondContact O-N 3.27Å; Y697-L699 VanDerWaalsContact C-N 3.29Å; Y697-L699 PolarHBondContact O-N 3.22Å; Y697-S700 PolarHBondContact O-N 3.17Å; Y697-S700 PolarHBondContact O-OG 3.16Å; Y697-A701 WeakPolarHBondContact O-CB 3.23Å; Y697-A701 PolarHBondContact O-N 2.72Å |
| 698 | F | 46.2 | Very low | 41.1 | Very low | 51 Ų | 51 | 73.2 Ų | 73.2 | 22% | 0.224 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.5 | -33.7 | -179.6 | -83.2 | -73.7 | 0 | 0 | 0 | 114.1 | L664 T667 T694 V695 | L664-F698 HydrophobicContact CD2-CD2 3.78Å; L664-F698 HydrophobicContact CD2-CE2 4.18Å; L664-F698 HydrophobicContact CD2-CG 4.08Å; T667-F698 VanDerWaalsContact OG1-CE2 3.24Å; T667-F698 WeakPolarHBondContact OG1-CE2 3.5Å; T667-F698 WeakPolarHBondContact OG1-CZ 3.32Å; T694-F698 HydrophobicContact CG2-CD2 4.04Å; T694-F698 HydrophobicContact CG2-CE2 3.97Å; T694-F698 WeakPolarHBondContact O-CD2 3.42Å; T694-F698 PolarHBondContact O-N 3.16Å; V695-F698 PolarHBondContact O-N 3.43Å |
| 699 | L | 45.6 | Very low | 40.1 | Very low | 8 Ų | 8 | 80.1 Ų | 80.1 | 4% | 0.042 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -68.1 | -52.7 | 175.1 | -71.9 | 172.3 | 0 | 0 | 0 | 111 | V695 R696 Y697 A701 G702 I747 F751 N782 E785 | V695-L699 HydrophobicContact CG1-CD1 3.84Å; V695-L699 WeakPolarHBondContact O-CG 3.5Å; V695-L699 PolarHBondContact O-N 2.94Å; R696-L699 PolarHBondContact O-N 3.46Å; Y697-L699 VanDerWaalsContact C-N 3.29Å; Y697-L699 PolarHBondContact O-N 3.22Å; L699-A701 PolarHBondContact O-N 3.17Å; L699-A701 VanDerWaalsContact O-N 3.16Å; L699-G702 PolarHBondContact O-N 3.2Å; L699-I747 HydrophobicContact CD2-CB 4.41Å; L699-I747 HydrophobicContact CD2-CD1 4.33Å; L699-I747 HydrophobicContact CD2-CG1 4.09Å; L699-I747 HydrophobicContact CD2-CG2 3.54Å; L699-F751 HydrophobicContact CD1-CE1 4.42Å; L699-F751 HydrophobicContact CD1-CZ 3.85Å; L699-F751 HydrophobicContact CD2-CE1 4.49Å; L699-F751 HydrophobicContact CD2-CE2 3.72Å; L699-F751 HydrophobicContact CD2-CZ 3.52Å; L699-F751 HydrophobicContact CG-CZ 4.36Å; L699-N782 HydrophobicContact CD1-CB 4.09Å; L699-N782 WeakPolarHBondContact CD1-ND2 3.44Å; L699-N782 WeakPolarHBondContact CD1-OD1 3.39Å; L699-E785 WeakPolarHBondContact CB-OE2 3.33Å |
| 700 | S | 46.3 | Very low | 38.8 | Very low | 65 Ų | 65 | 81.1 Ų | 81.1 | 46% | 0.455 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.4 | -30.6 | 178 | 72.1 | 0 | 0 | 0 | 0 | 114.1 | R696 Y697 G702 N703 | R696-S700 WeakPolarHBondContact O-CB 3.44Å; R696-S700 PolarHBondContact O-N 3.13Å; R696-S700 PolarHBondContact O-OG 3.05Å; Y697-S700 PolarHBondContact O-N 3.17Å; Y697-S700 PolarHBondContact O-OG 3.16Å; S700-G702 PolarHBondContact O-N 3.35Å; S700-N703 WeakPolarHBondContact O-CB 3.4Å; S700-N703 PolarHBondContact O-N 2.9Å |
| 701 | A | 45.3 | Very low | 37.7 | Very low | 45 Ų | 45 | 84.8 Ų | 84.8 | 37% | 0.372 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.1 | -24.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y697 L699 N703 | Y697-A701 WeakPolarHBondContact O-CB 3.23Å; Y697-A701 PolarHBondContact O-N 2.72Å; L699-A701 PolarHBondContact O-N 3.17Å; L699-A701 VanDerWaalsContact O-N 3.16Å; A701-N703 PolarHBondContact O-N 2.7Å; A701-N703 VanDerWaalsContact O-N 3.13Å |
| 702 | G | 44.4 | Very low | 36.5 | Very low | 22 Ų | 22 | 91.7 Ų | 91.7 | 23% | 0.227 | 51% | 0.508 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -12.1 | 176 | 0 | 0 | 0 | 0 | 0 | 114.4 | L699 S700 | L699-G702 PolarHBondContact O-N 3.2Å; S700-G702 PolarHBondContact O-N 3.35Å |
| 703 | N | 39.3 | Very low | 35.2 | Very low | 132 Ų | 132 | 96 Ų | 96 | 71% | 0.706 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 4.1 | -174.7 | -138.1 | 4.5 | 0 | 0 | 0 | 114.4 | S700 A701 T705 | S700-N703 WeakPolarHBondContact O-CB 3.4Å; S700-N703 PolarHBondContact O-N 2.9Å; A701-N703 PolarHBondContact O-N 2.7Å; A701-N703 VanDerWaalsContact O-N 3.13Å; N703-T705 PolarHBondContact O-N 3.18Å |
| 704 | L | 35.1 | Very low | 34.1 | Very low | 157 Ų | 157 | 95.8 Ų | 95.8 | 82% | 0.822 | 55% | 0.546 | S | S | * | . | trans | -76.3 | 58.5 | 172.4 | -80.2 | 168.5 | 0 | 0 | 0 | 112.1 | ||||
| 705 | T | 29.7 | Very low | 32.9 | Very low | 74 Ų | 74 | 100.9 Ų | 100.9 | 45% | 0.454 | 57% | 0.573 | S | S | . | * | trans | -131.5 | 147.7 | 172.1 | 62.1 | 0 | 0 | 0 | 0 | 110.4 | N703 P740 | N703-T705 PolarHBondContact O-N 3.18Å; T705-P740 HydrophobicContact CG2-CB 3.78Å; T705-P740 HydrophobicContact CG2-CG 4.2Å | ||
| 706 | T | 26.1 | Very low | 31.7 | Very low | 127 Ų | 127 | 106 Ų | 106 | 78% | 0.779 | 60% | 0.599 | S | S | * | * | trans | 66 | 72.6 | -180 | 67.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 707 | V | 25.3 | Very low | 30.6 | Very low | 146 Ų | 146 | 107.7 Ų | 107.7 | 89% | 0.885 | 62% | 0.622 | S | S | * | * | trans | -116.7 | 87.5 | 141.5 | -177.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 708 | S | 23.7 | Very low | 29.3 | Very low | 97 Ų | 97 | 106.6 Ų | 106.6 | 68% | 0.678 | 63% | 0.629 | S | S | * | * | trans | -64.1 | 145.8 | 168.6 | -55.6 | 0 | 0 | 0 | 0 | 110.1 | T710 | S708-T710 PolarHBondContact O-N 2.78Š| ||
| 709 | Q | 21.7 | Very low | 28.1 | Very low | 198 Ų | 198 | 110.4 Ų | 110.4 | 93% | 0.925 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -60 | 94.3 | -172.9 | -65.3 | 166.1 | -26.6 | 0 | 0 | 113.4 | ||
| 710 | T | 20.4 | Very low | 26.8 | Very low | 116 Ų | 116 | 116.5 Ų | 116.5 | 71% | 0.712 | 69% | 0.694 | S | S | * | * | trans | -140.9 | 101.7 | 161.7 | 38.9 | 0 | 0 | 0 | 0 | 109.8 | S708 L712 | S708-T710 PolarHBondContact O-N 2.78Å; T710-L712 PolarHBondContact O-N 2.85Å; T710-L712 VanDerWaalsContact O-N 3.1Å | ||
| 711 | P | 21.7 | Very low | 25.6 | Very low | 130 Ų | 130 | 118 Ų | 118 | 84% | 0.844 | 71% | 0.705 | S | S | * | * | trans | -73.9 | 104.3 | -178.8 | 28.8 | -33 | 0 | 0 | 0 | 110.4 | S713 | P711-S713 PolarHBondContact O-N 3.09Š| ||
| 712 | L | 19.4 | Very low | 24.5 | Very low | 161 Ų | 161 | 122.2 Ų | 122.2 | 84% | 0.843 | 73% | 0.726 | S | S | * | * | trans | -69.5 | 94 | 174.3 | -83.2 | 171.3 | 0 | 0 | 0 | 110.8 | T710 V714 | T710-L712 PolarHBondContact O-N 2.85Å; T710-L712 VanDerWaalsContact O-N 3.1Å; L712-V714 PolarHBondContact O-N 2.84Å | ||
| 713 | S | 19.8 | Very low | 23.3 | Very low | 110 Ų | 110 | 128 Ų | 128 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | -62.1 | 103.9 | 171.1 | -176 | 0 | 0 | 0 | 0 | 110.8 | P711 | P711-S713 PolarHBondContact O-N 3.09Š| ||
| 714 | V | 22.2 | Very low | 22.5 | Very low | 105 Ų | 105 | 126.3 Ų | 126.3 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | trans | -130.8 | 122.7 | 168.8 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | L712 K890 | L712-V714 PolarHBondContact O-N 2.84Å; V714-K890 HydrophobicContact CG1-CD 4.12Å | ||
| 715 | N | 21 | Very low | 21.8 | Very low | 122 Ų | 122 | 125 Ų | 125 | 65% | 0.652 | 76% | 0.755 | S | S | * | * | trans | -68.6 | 172.9 | -170.3 | -67.7 | -48.5 | 0 | 0 | 0 | 114.6 | K890 | N715-K890 PolarHBondContact O-NZ 2.67Š| ||
| 716 | N | 20.5 | Very low | 21.4 | Very low | 117 Ų | 117 | 127.6 Ų | 127.6 | 63% | 0.626 | 77% | 0.77 | S | S | * | * | trans | 74.6 | 38.5 | 172.4 | -51.5 | 72.1 | 0 | 0 | 0 | 116.7 | K890 | N716-K890 VanDerWaalsContact CG-NZ 3.34Å; N716-K890 PolarHBondContact OD1-NZ 3.45Å | ||
| 717 | T | 20.4 | Very low | 21.2 | Very low | 145 Ų | 145 | 128.5 Ų | 128.5 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | -100.5 | 79 | 128.2 | -17.3 | 0 | 0 | 0 | 0 | 107.8 | T719 | T717-T719 PolarHBondContact O-N 3.05Š| |||
| 718 | T | 21.1 | Very low | 20.9 | Very low | 110 Ų | 110 | 127 Ų | 127 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | trans | -91.1 | 95.1 | 174.6 | 40.2 | 0 | 0 | 0 | 0 | 109.9 | V720 | T718-V720 PolarHBondContact O-N 3.32Š| ||
| 719 | T | 20.1 | Very low | 20.8 | Very low | 131 Ų | 131 | 128.8 Ų | 128.8 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | 6.9 | 98.3 | 150.8 | 53.6 | 0 | 0 | 0 | 0 | 117.4 | T717 | T717-T719 PolarHBondContact O-N 3.05Š| ||
| 720 | V | 20.1 | Very low | 20.8 | Very low | 137 Ų | 137 | 124.8 Ų | 124.8 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | trans | -132.2 | 100.1 | 135.1 | -178.9 | 0 | 0 | 0 | 0 | 108.7 | T718 | T718-V720 PolarHBondContact O-N 3.32Š| ||
| 721 | S | 19.9 | Very low | 20.9 | Very low | 97 Ų | 97 | 125.6 Ų | 125.6 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | trans | 35.5 | 107.7 | 146.8 | -49.7 | 0 | 0 | 0 | 0 | 120.4 | T723 | S721-T723 PolarHBondContact O-N 3.17Š| ||
| 722 | T | 21.7 | Very low | 20.9 | Very low | 132 Ų | 132 | 123.2 Ų | 123.2 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | -58.8 | 124.3 | 138.1 | 42.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 723 | T | 20.1 | Very low | 21.2 | Very low | 145 Ų | 145 | 120.5 Ų | 120.5 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | trans | -104.1 | 91.1 | 157.3 | -8.3 | 0 | 0 | 0 | 0 | 108.4 | S721 | S721-T723 PolarHBondContact O-N 3.17Š| ||
| 724 | S | 22.6 | Very low | 21.5 | Very low | 96 Ų | 96 | 123 Ų | 123 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | trans | -136.8 | 92.8 | 173.4 | 58 | 0 | 0 | 0 | 0 | 108.9 | T726 | S724-T726 PolarHBondContact O-N 2.99Š| ||
| 725 | T | 21 | Very low | 21.7 | Very low | 130 Ų | 130 | 123.9 Ų | 123.9 | 80% | 0.798 | 78% | 0.781 | S | S | * | * | trans | -65.2 | 104.3 | 173.4 | 26.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 726 | T | 19.9 | Very low | 22.2 | Very low | 127 Ų | 127 | 123.1 Ų | 123.1 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | trans | 31.4 | 102 | 137.5 | 54 | 0 | 0 | 0 | 0 | 117.1 | S724 | S724-T726 PolarHBondContact O-N 2.99Š| ||
| 727 | T | 22.6 | Very low | 23.2 | Very low | 146 Ų | 146 | 124.4 Ų | 124.4 | 90% | 0.896 | 80% | 0.795 | S | S | * | * | trans | -140.2 | 112.2 | 141.3 | -10.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 728 | S | 19.5 | Very low | 24.1 | Very low | 114 Ų | 114 | 122.1 Ų | 122.1 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -87.4 | 126.2 | -175.8 | 52.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 729 | V | 22.2 | Very low | 25.3 | Very low | 135 Ų | 135 | 120.9 Ų | 120.9 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -127.1 | 108.7 | 157 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 730 | S | 20.5 | Very low | 26.6 | Very low | 114 Ų | 114 | 117.4 Ų | 117.4 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | -100 | 110.1 | -180 | 52.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 731 | T | 23.3 | Very low | 28 | Very low | 133 Ų | 133 | 116.9 Ų | 116.9 | 82% | 0.816 | 73% | 0.733 | S | S | * | * | trans | -134.7 | 115.8 | 159.9 | 44.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 732 | G | 21.1 | Very low | 29.3 | Very low | 80 Ų | 80 | 115.7 Ų | 115.7 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | trans | -92.1 | 130 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 733 | S | 25.1 | Very low | 30.4 | Very low | 105 Ų | 105 | 110.2 Ų | 110.2 | 73% | 0.734 | 69% | 0.685 | S | S | * | * | trans | -114.4 | 116.8 | 162.9 | 58 | 0 | 0 | 0 | 0 | 108.9 | V735 | S733-V735 PolarHBondContact O-N 3.14Š| ||
| 734 | N | 25.8 | Very low | 31.8 | Very low | 163 Ų | 163 | 109.2 Ų | 109.2 | 87% | 0.872 | 67% | 0.668 | S | S | * | * | trans | -71 | 100 | -176.8 | -67.5 | -33.8 | 0 | 0 | 0 | 110.9 | P736 | N734-P736 WeakPolarHBondContact O-CD 3.4Š| ||
| 735 | V | 27.8 | Very low | 33.3 | Very low | 122 Ų | 122 | 111.4 Ų | 111.4 | 74% | 0.739 | 66% | 0.662 | S | S | * | * | trans | -69.1 | 123 | 160.5 | -179.6 | 0 | 0 | 0 | 0 | 107.3 | S733 V737 | S733-V735 PolarHBondContact O-N 3.14Å; V735-V737 PolarHBondContact O-N 3.08Å | ||
| 736 | P | 31.7 | Very low | 34.5 | Very low | 106 Ų | 106 | 105.3 Ų | 105.3 | 69% | 0.688 | 62% | 0.624 | S | S | * | * | trans | -61.7 | 127.2 | 178.2 | -22.3 | 33.8 | 0 | 0 | 0 | 110.6 | N734 I738 | N734-P736 WeakPolarHBondContact O-CD 3.4Å; P736-I738 PolarHBondContact O-N 3.33Å | ||
| 737 | V | 39.7 | Very low | 36 | Very low | 145 Ų | 145 | 100.1 Ų | 100.1 | 88% | 0.879 | 59% | 0.592 | S | S | * | * | trans | -69.1 | 100.5 | 174.2 | 180 | 0 | 0 | 0 | 0 | 108.2 | V735 N739 | V735-V737 PolarHBondContact O-N 3.08Å; V737-N739 PolarHBondContact O-N 3.42Å | ||
| 738 | I | 39.9 | Very low | 37.5 | Very low | 97 Ų | 97 | 95.6 Ų | 95.6 | 50% | 0.497 | 56% | 0.562 | S | S | . | * | trans | -62.6 | 124 | 178.4 | -62.1 | 173.2 | 0 | 0 | 0 | 108.7 | V632 P736 P740 A743 | V632-I738 HydrophobicContact CG2-CG2 3.97Å; P736-I738 PolarHBondContact O-N 3.33Å; I738-P740 WeakPolarHBondContact O-CD 3.39Å; I738-A743 HydrophobicContact CG2-CB 3.94Å | ||
| 739 | N | 46.2 | Very low | 39.2 | Very low | 83 Ų | 83 | 91.2 Ų | 91.2 | 44% | 0.444 | 53% | 0.531 | S | S | . | . | trans | -63.7 | 118.4 | 175.5 | 179.2 | -9 | 0 | 0 | 0 | 109.7 | V737 E741 Q742 A743 | V737-N739 PolarHBondContact O-N 3.42Å; N739-E741 VanDerWaalsContact C-N 3.3Å; N739-E741 PolarHBondContact O-N 2.9Å; N739-E741 PolarHBondContact OD1-N 3.1Å; N739-Q742 HydrophobicContact CB-CB 4.07Å; N739-Q742 WeakPolarHBondContact O-CB 3.46Å; N739-Q742 PolarHBondContact O-N 2.73Å; N739-A743 PolarHBondContact O-N 2.67Å | ||
| 740 | P | 48.2 | Very low | 40.7 | Very low | 59 Ų | 59 | 85.4 Ų | 85.4 | 38% | 0.383 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.6 | -31.5 | -172.5 | 23.9 | -34.1 | 0 | 0 | 0 | 113.4 | T705 I738 Q742 K744 | T705-P740 HydrophobicContact CG2-CB 3.78Å; T705-P740 HydrophobicContact CG2-CG 4.2Å; I738-P740 WeakPolarHBondContact O-CD 3.39Å; P740-Q742 VanDerWaalsContact C-N 3.26Å; P740-Q742 PolarHBondContact O-N 3.13Å; P740-K744 WeakPolarHBondContact O-CB 3.42Å; P740-K744 PolarHBondContact O-N 2.91Å |
| 741 | E | 48.3 | Very low | 42.3 | Very low | 125 Ų | 125 | 80.4 Ų | 80.4 | 58% | 0.584 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -63.6 | -35.4 | 173.2 | -67.6 | -162.3 | 171.4 | 0 | 0 | 112.1 | N739 R745 | N739-E741 VanDerWaalsContact C-N 3.3Å; N739-E741 PolarHBondContact O-N 2.9Å; N739-E741 PolarHBondContact OD1-N 3.1Å; E741-R745 WeakPolarHBondContact O-CG 3.38Å; E741-R745 PolarHBondContact O-N 3.17Å |
| 742 | Q | 47.6 | Very low | 44 | Very low | 72 Ų | 72 | 81.5 Ų | 81.5 | 34% | 0.336 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -80.2 | -34.3 | -176.6 | -157.9 | 178.2 | -19.1 | 0 | 0 | 111.6 | V632 N636 N739 P740 S746 | V632-Q742 HydrophobicContact CG1-CB 4.17Å; V632-Q742 HydrophobicContact CG1-CG 3.6Å; N636-Q742 WeakPolarHBondContact ND2-CG 3.31Å; N636-Q742 PolarHBondContact ND2-NE2 3.2Å; N739-Q742 HydrophobicContact CB-CB 4.07Å; N739-Q742 WeakPolarHBondContact O-CB 3.46Å; N739-Q742 PolarHBondContact O-N 2.73Å; P740-Q742 VanDerWaalsContact C-N 3.26Å; P740-Q742 PolarHBondContact O-N 3.13Å; Q742-S746 PolarHBondContact O-N 3.04Å; Q742-S746 VanDerWaalsContact O-N 3.14Å; Q742-S746 PolarHBondContact O-OG 3.06Å |
| 743 | A | 45.7 | Very low | 45.6 | Very low | 17 Ų | 17 | 78.4 Ų | 78.4 | 14% | 0.14 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.1 | -49.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | I738 N739 R745 S746 I747 | I738-A743 HydrophobicContact CG2-CB 3.94Å; N739-A743 PolarHBondContact O-N 2.67Å; A743-R745 PolarHBondContact O-N 2.75Å; A743-S746 WeakPolarHBondContact CA-OG 3.44Å; A743-S746 PolarHBondContact O-N 3.4Å; A743-S746 VanDerWaalsContact O-N 3.09Å; A743-S746 PolarHBondContact O-OG 3.33Å; A743-I747 WeakPolarHBondContact O-CG1 3.45Å; A743-I747 PolarHBondContact O-N 2.94Å |
| 744 | K | 49.3 | Very low | 47.1 | Very low | 125 Ų | 125 | 73.7 Ų | 73.7 | 54% | 0.543 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.9 | -43.7 | 179 | -169.6 | 169.3 | -175.3 | 170.9 | 0 | 112.9 | P740 S746 I747 D748 | P740-K744 WeakPolarHBondContact O-CB 3.42Å; P740-K744 PolarHBondContact O-N 2.91Å; K744-S746 VanDerWaalsContact C-N 3.33Å; K744-S746 PolarHBondContact O-N 3.17Å; K744-I747 PolarHBondContact O-N 2.87Å; K744-D748 PolarHBondContact O-N 3.25Å |
| 745 | R | 52.9 | Low | 48.5 | Very low | 142 Ų | 142 | 67.3 Ų | 67.3 | 54% | 0.536 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.1 | -35.9 | 174.6 | -74.6 | 179.6 | -172.9 | 170.6 | 9.3 | 113.6 | E741 A743 T749 | E741-R745 WeakPolarHBondContact O-CG 3.38Å; E741-R745 PolarHBondContact O-N 3.17Å; A743-R745 PolarHBondContact O-N 2.75Å; R745-T749 WeakPolarHBondContact O-CB 3.41Å; R745-T749 PolarHBondContact O-N 3.42Å; R745-T749 VanDerWaalsContact O-N 3.15Å; R745-T749 PolarHBondContact O-OG1 3.43Å |
| 746 | S | 48.2 | Very low | 49.9 | Very low | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.007 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -73.9 | -34.9 | 177.3 | 41.4 | 0 | 0 | 0 | 0 | 112.1 | Q742 A743 K744 T749 Y750 | Q742-S746 PolarHBondContact O-N 3.04Å; Q742-S746 VanDerWaalsContact O-N 3.14Å; Q742-S746 PolarHBondContact O-OG 3.06Å; A743-S746 WeakPolarHBondContact CA-OG 3.44Å; A743-S746 PolarHBondContact O-N 3.4Å; A743-S746 VanDerWaalsContact O-N 3.09Å; A743-S746 PolarHBondContact O-OG 3.33Å; K744-S746 VanDerWaalsContact C-N 3.33Å; K744-S746 PolarHBondContact O-N 3.17Å; S746-T749 PolarHBondContact O-N 2.95Å; S746-Y750 WeakPolarHBondContact O-CB 3.35Å; S746-Y750 PolarHBondContact O-N 2.87Å |
| 747 | I | 50.9 | Low | 51.1 | Low | 19 Ų | 19 | 59.8 Ų | 59.8 | 10% | 0.097 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.9 | -51.4 | 170.8 | -68 | 167.7 | 0 | 0 | 0 | 111.5 | L699 A743 K744 T749 Y750 F751 | L699-I747 HydrophobicContact CD2-CB 4.41Å; L699-I747 HydrophobicContact CD2-CD1 4.33Å; L699-I747 HydrophobicContact CD2-CG1 4.09Å; L699-I747 HydrophobicContact CD2-CG2 3.54Å; A743-I747 WeakPolarHBondContact O-CG1 3.45Å; A743-I747 PolarHBondContact O-N 2.94Å; K744-I747 PolarHBondContact O-N 2.87Å; I747-T749 PolarHBondContact O-N 3.35Å; I747-Y750 PolarHBondContact O-N 3.02Å; I747-F751 HydrophobicContact CG2-CD2 3.73Å; I747-F751 HydrophobicContact CG2-CE2 3.45Å; I747-F751 VanDerWaalsContact CG2-CE2 3.45Å; I747-F751 HydrophobicContact CG2-CZ 4.47Å; I747-F751 WeakPolarHBondContact O-CD2 3.5Å; I747-F751 PolarHBondContact O-N 3.07Å |
| 748 | D | 53 | Low | 52.1 | Low | 51 Ų | 51 | 53.3 Ų | 53.3 | 27% | 0.273 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -56.6 | -36.2 | 176.4 | -81.6 | -29.9 | 0 | 0 | 0 | 112.4 | K744 R752 | K744-D748 PolarHBondContact O-N 3.25Å; D748-R752 WeakPolarHBondContact O-CB 3.35Å; D748-R752 PolarHBondContact O-N 3.46Å |
| 749 | T | 55.4 | Low | 53 | Low | 22 Ų | 22 | 50.2 Ų | 50.2 | 14% | 0.135 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -73.4 | -44 | 178.8 | -56.2 | 0 | 0 | 0 | 0 | 110.9 | V635 T639 R745 S746 I747 F751 R752 L753 | V635-T749 HydrophobicContact CG1-CG2 3.66Å; T639-T749 HydrophobicContact CG2-CG2 4.43Å; R745-T749 WeakPolarHBondContact O-CB 3.41Å; R745-T749 PolarHBondContact O-N 3.42Å; R745-T749 VanDerWaalsContact O-N 3.15Å; R745-T749 PolarHBondContact O-OG1 3.43Å; S746-T749 PolarHBondContact O-N 2.95Å; I747-T749 PolarHBondContact O-N 3.35Å; T749-F751 PolarHBondContact O-N 2.86Å; T749-R752 WeakPolarHBondContact O-CA 3.44Å; T749-R752 WeakPolarHBondContact O-CB 3.26Å; T749-R752 PolarHBondContact O-N 2.72Å; T749-L753 HydrophobicContact CG2-CD1 3.98Å; T749-L753 WeakPolarHBondContact O-CD1 3.31Å; T749-L753 PolarHBondContact O-N 2.96Å |
| 750 | Y | 54.2 | Low | 53.6 | Low | 13 Ų | 13 | 48.4 Ų | 48.4 | 5% | 0.051 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.4 | -43.5 | 175.4 | 176.3 | -115.8 | 0 | 0 | 0 | 112.6 | F631 I660 S746 I747 R752 L753 I754 | F631-Y750 HydrophobicContact CZ-CG 4.42Å; I660-Y750 HydrophobicContact CD1-CD2 4.22Å; I660-Y750 HydrophobicContact CG2-CD2 3.97Å; I660-Y750 HydrophobicContact CG2-CE2 3.7Å; S746-Y750 WeakPolarHBondContact O-CB 3.35Å; S746-Y750 PolarHBondContact O-N 2.87Å; I747-Y750 PolarHBondContact O-N 3.02Å; Y750-R752 VanDerWaalsContact C-N 3.28Å; Y750-R752 PolarHBondContact O-N 2.88Å; Y750-L753 WeakPolarHBondContact O-CB 3.26Å; Y750-L753 PolarHBondContact O-N 3.3Å; Y750-I754 HydrophobicContact CD1-CD1 3.82Å; Y750-I754 HydrophobicContact CD2-CD1 4.45Å; Y750-I754 HydrophobicContact CE1-CD1 3.43Å; Y750-I754 VanDerWaalsContact CE1-CD1 3.43Å; Y750-I754 HydrophobicContact CE2-CD1 4.11Å; Y750-I754 HydrophobicContact CE2-CG1 4.45Å; Y750-I754 HydrophobicContact CG-CD1 4.32Å; Y750-I754 PolarHBondContact O-N 2.94Å |
| 751 | F | 54.4 | Low | 54 | Low | 9 Ų | 9 | 48.8 Ų | 48.8 | 4% | 0.039 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.8 | -31.6 | 173.4 | -72.9 | -50.8 | 0 | 0 | 0 | 113.1 | L699 I747 T749 I754 Q755 N782 L786 | L699-F751 HydrophobicContact CD1-CE1 4.42Å; L699-F751 HydrophobicContact CD1-CZ 3.85Å; L699-F751 HydrophobicContact CD2-CE1 4.49Å; L699-F751 HydrophobicContact CD2-CE2 3.72Å; L699-F751 HydrophobicContact CD2-CZ 3.52Å; L699-F751 HydrophobicContact CG-CZ 4.36Å; I747-F751 HydrophobicContact CG2-CD2 3.73Å; I747-F751 HydrophobicContact CG2-CE2 3.45Å; I747-F751 VanDerWaalsContact CG2-CE2 3.45Å; I747-F751 HydrophobicContact CG2-CZ 4.47Å; I747-F751 WeakPolarHBondContact O-CD2 3.5Å; I747-F751 PolarHBondContact O-N 3.07Å; T749-F751 PolarHBondContact O-N 2.86Å; F751-I754 HydrophobicContact CD1-CD1 4.03Å; F751-I754 HydrophobicContact CE1-CD1 4.5Å; F751-I754 PolarHBondContact O-N 3.3Å; F751-Q755 PolarHBondContact O-N 2.99Å; F751-N782 HydrophobicContact CZ-CB 4.29Å; F751-L786 HydrophobicContact CD1-CD1 4.04Å; F751-L786 HydrophobicContact CD1-CD2 4.04Å; F751-L786 HydrophobicContact CD1-CG 4.07Å; F751-L786 HydrophobicContact CE1-CD1 3.54Å; F751-L786 HydrophobicContact CE1-CD2 4.4Å; F751-L786 HydrophobicContact CE1-CG 4.01Å; F751-L786 HydrophobicContact CG-CD2 4.41Å; F751-L786 HydrophobicContact CG-CG 4.39Å; F751-L786 HydrophobicContact CZ-CD1 3.85Å; F751-L786 HydrophobicContact CZ-CG 4.22Å |
| 752 | R | 58.1 | Low | 54.5 | Low | 156 Ų | 156 | 43 Ų | 43 | 59% | 0.589 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -69 | -35.7 | 173.8 | -152.5 | 179.1 | -58.9 | 165.9 | 3.5 | 112.2 | D748 T749 Y750 V756 | D748-R752 WeakPolarHBondContact O-CB 3.35Å; D748-R752 PolarHBondContact O-N 3.46Å; T749-R752 WeakPolarHBondContact O-CA 3.44Å; T749-R752 WeakPolarHBondContact O-CB 3.26Å; T749-R752 PolarHBondContact O-N 2.72Å; Y750-R752 VanDerWaalsContact C-N 3.28Å; Y750-R752 PolarHBondContact O-N 2.88Å; R752-V756 WeakPolarHBondContact O-CG2 3.46Å; R752-V756 PolarHBondContact O-N 2.68Å |
| 753 | L | 55.4 | Low | 54.7 | Low | 15 Ų | 15 | 44.4 Ų | 44.4 | 8% | 0.079 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63 | -49.5 | 168.6 | -85.8 | 87.6 | 0 | 0 | 0 | 111.3 | L653 V656 V657 T749 Y750 Q755 V756 V757 | L653-L753 HydrophobicContact CB-CD2 4.34Å; L653-L753 HydrophobicContact CD2-CB 4.17Å; L653-L753 HydrophobicContact CD2-CD2 4.36Å; L653-L753 HydrophobicContact CD2-CG 3.81Å; L653-L753 HydrophobicContact CG-CD2 3.93Å; L653-L753 HydrophobicContact CG-CG 3.91Å; V656-L753 HydrophobicContact CB-CD2 4.25Å; V656-L753 HydrophobicContact CG1-CD2 3.77Å; V657-L753 HydrophobicContact CG2-CB 4.03Å; V657-L753 HydrophobicContact CG2-CD2 3.83Å; T749-L753 HydrophobicContact CG2-CD1 3.98Å; T749-L753 WeakPolarHBondContact O-CD1 3.31Å; T749-L753 PolarHBondContact O-N 2.96Å; Y750-L753 WeakPolarHBondContact O-CB 3.26Å; Y750-L753 PolarHBondContact O-N 3.3Å; L753-Q755 VanDerWaalsContact C-N 3.33Å; L753-Q755 PolarHBondContact O-N 3.24Å; L753-V756 PolarHBondContact O-N 2.89Å; L753-V757 PolarHBondContact O-N 3.26Å; L753-V757 VanDerWaalsContact O-N 3.08Å |
| 754 | I | 55.7 | Low | 54.8 | Low | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -54.6 | -47.9 | 179.2 | -74.4 | 165.1 | 0 | 0 | 0 | 111.1 | Y750 F751 V756 V757 I758 V778 | Y750-I754 HydrophobicContact CD1-CD1 3.82Å; Y750-I754 HydrophobicContact CD2-CD1 4.45Å; Y750-I754 HydrophobicContact CE1-CD1 3.43Å; Y750-I754 VanDerWaalsContact CE1-CD1 3.43Å; Y750-I754 HydrophobicContact CE2-CD1 4.11Å; Y750-I754 HydrophobicContact CE2-CG1 4.45Å; Y750-I754 HydrophobicContact CG-CD1 4.32Å; Y750-I754 PolarHBondContact O-N 2.94Å; F751-I754 HydrophobicContact CD1-CD1 4.03Å; F751-I754 HydrophobicContact CE1-CD1 4.5Å; F751-I754 PolarHBondContact O-N 3.3Å; I754-V756 PolarHBondContact O-N 2.8Å; I754-V757 PolarHBondContact O-N 3.29Å; I754-V757 VanDerWaalsContact O-N 3.14Å; I754-I758 HydrophobicContact CG2-CD1 3.46Å; I754-I758 VanDerWaalsContact CG2-CD1 3.46Å; I754-I758 HydrophobicContact CG2-CG1 4.12Å; I754-I758 VanDerWaalsContact O-CG1 3.26Å; I754-I758 WeakPolarHBondContact O-CG1 3.34Å; I754-I758 PolarHBondContact O-N 2.69Å; I754-V778 HydrophobicContact CD1-CG1 4.02Å |
| 755 | Q | 55.6 | Low | 54.9 | Low | 29 Ų | 29 | 45.5 Ų | 45.5 | 14% | 0.136 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -52.5 | -39.9 | 177.5 | 175.1 | 164.1 | 38.3 | 0 | 0 | 112.7 | F751 L753 F759 N790 L793 | F751-Q755 PolarHBondContact O-N 2.99Å; L753-Q755 VanDerWaalsContact C-N 3.33Å; L753-Q755 PolarHBondContact O-N 3.24Å; Q755-F759 HydrophobicContact CG-CD2 4.46Å; Q755-F759 HydrophobicContact CG-CE2 4.27Å; Q755-F759 VanDerWaalsContact O-CD2 3.23Å; Q755-F759 WeakPolarHBondContact O-CD2 3.17Å; Q755-N790 PolarHBondContact OE1-ND2 2.96Å; Q755-L793 HydrophobicContact CB-CD1 3.95Å; Q755-L793 HydrophobicContact CG-CD1 3.7Å |
| 756 | V | 57.5 | Low | 54.7 | Low | 52 Ų | 52 | 48.3 Ų | 48.3 | 32% | 0.315 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -76.5 | -36.4 | -178.4 | 175.8 | 0 | 0 | 0 | 0 | 112 | V650 L653 R752 L753 I754 T760 | V650-V756 HydrophobicContact CB-CG1 4.02Å; V650-V756 HydrophobicContact CG1-CG1 3.62Å; V650-V756 HydrophobicContact CG2-CG1 3.43Å; V650-V756 VanDerWaalsContact CG2-CG1 3.43Å; L653-V756 HydrophobicContact CD2-CB 3.81Å; L653-V756 HydrophobicContact CD2-CG1 3.78Å; L653-V756 HydrophobicContact CD2-CG2 4.44Å; R752-V756 WeakPolarHBondContact O-CG2 3.46Å; R752-V756 PolarHBondContact O-N 2.68Å; L753-V756 PolarHBondContact O-N 2.89Å; I754-V756 PolarHBondContact O-N 2.8Å; V756-T760 PolarHBondContact O-OG1 3.21Å |
| 757 | V | 57.3 | Low | 54.5 | Low | 18 Ų | 18 | 53.7 Ų | 53.7 | 11% | 0.109 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67 | -37.5 | 174 | 176.9 | 0 | 0 | 0 | 0 | 111.8 | L653 I654 V657 L753 I754 T760 R761 | L653-V757 HydrophobicContact CB-CG2 4.46Å; I654-V757 HydrophobicContact CG1-CG1 4.44Å; I654-V757 HydrophobicContact CG1-CG2 4.1Å; V657-V757 HydrophobicContact CG2-CG2 4.37Å; L753-V757 PolarHBondContact O-N 3.26Å; L753-V757 VanDerWaalsContact O-N 3.08Å; I754-V757 PolarHBondContact O-N 3.29Å; I754-V757 VanDerWaalsContact O-N 3.14Å; V757-T760 PolarHBondContact O-N 3.25Å; V757-T760 PolarHBondContact O-OG1 2.94Å; V757-R761 HydrophobicContact CG1-CG 4.18Å; V757-R761 WeakPolarHBondContact O-CB 3.47Å; V757-R761 PolarHBondContact O-N 3.33Å |
| 758 | I | 59.2 | Low | 54.2 | Low | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.041 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.3 | -51 | -177.4 | -70.6 | 168.1 | 0 | 0 | 0 | 112.2 | I754 T760 S762 F771 L775 L779 L801 | I754-I758 HydrophobicContact CG2-CD1 3.46Å; I754-I758 VanDerWaalsContact CG2-CD1 3.46Å; I754-I758 HydrophobicContact CG2-CG1 4.12Å; I754-I758 VanDerWaalsContact O-CG1 3.26Å; I754-I758 WeakPolarHBondContact O-CG1 3.34Å; I754-I758 PolarHBondContact O-N 2.69Å; I758-T760 PolarHBondContact O-N 3.38Å; I758-S762 WeakPolarHBondContact O-CB 3.37Å; I758-S762 PolarHBondContact O-N 3.38Å; I758-S762 PolarHBondContact O-OG 2.91Å; I758-F771 HydrophobicContact CB-CZ 4.48Å; I758-F771 HydrophobicContact CG2-CZ 4.4Å; I758-L775 HydrophobicContact CB-CD1 4.37Å; I758-L775 HydrophobicContact CD1-CD1 3.55Å; I758-L775 HydrophobicContact CG1-CD1 3.68Å; I758-L775 HydrophobicContact CG2-CD1 3.76Å; I758-L779 HydrophobicContact CD1-CD1 4.02Å; I758-L779 HydrophobicContact CD1-CD2 4.37Å; I758-L779 HydrophobicContact CD1-CG 4.48Å; I758-L801 HydrophobicContact CG2-CD1 4.12Å |
| 759 | F | 59 | Low | 54.2 | Low | 33 Ų | 33 | 56.8 Ų | 56.8 | 15% | 0.145 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -75 | -5.5 | -176.8 | -67.2 | -67.1 | 0 | 0 | 0 | 114.1 | Q755 S762 Q763 L793 R796 V800 L801 | Q755-F759 HydrophobicContact CG-CD2 4.46Å; Q755-F759 HydrophobicContact CG-CE2 4.27Å; Q755-F759 VanDerWaalsContact O-CD2 3.23Å; Q755-F759 WeakPolarHBondContact O-CD2 3.17Å; F759-S762 PolarHBondContact O-OG 3.31Å; F759-Q763 PolarHBondContact O-NE2 3.41Å; F759-L793 HydrophobicContact CE2-CD1 3.9Å; F759-L793 HydrophobicContact CZ-CD1 4.36Å; F759-R796 HydrophobicContact CE1-CB 4Å; F759-R796 HydrophobicContact CE2-CB 4.03Å; F759-R796 HydrophobicContact CZ-CB 3.4Å; F759-R796 VanDerWaalsContact CZ-CB 3.4Å; F759-V800 HydrophobicContact CE1-CB 4.34Å; F759-L801 HydrophobicContact CD1-CD1 4Å; F759-L801 HydrophobicContact CD1-CD2 4.35Å; F759-L801 HydrophobicContact CD1-CG 4.1Å; F759-L801 HydrophobicContact CE1-CD1 3.87Å; F759-L801 HydrophobicContact CE1-CG 3.96Å |
| 760 | T | 58.5 | Low | 53.9 | Low | 45 Ų | 45 | 59.1 Ų | 59.1 | 28% | 0.276 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -100.3 | -51.2 | 172.3 | 46.8 | 0 | 0 | 0 | 0 | 112.2 | V650 V756 V757 I758 S762 Q763 | V650-T760 HydrophobicContact CB-CG2 3.95Å; V650-T760 HydrophobicContact CG1-CG2 3.59Å; V650-T760 VanDerWaalsContact CG1-OG1 3.29Å; V650-T760 WeakPolarHBondContact CG1-OG1 3.44Å; V650-T760 HydrophobicContact CG2-CG2 3.91Å; V756-T760 PolarHBondContact O-OG1 3.21Å; V757-T760 PolarHBondContact O-N 3.25Å; V757-T760 PolarHBondContact O-OG1 2.94Å; I758-T760 PolarHBondContact O-N 3.38Å; T760-S762 VanDerWaalsContact C-N 3.26Å; T760-S762 PolarHBondContact O-N 3.37Å; T760-Q763 WeakPolarHBondContact O-CB 3.42Å; T760-Q763 PolarHBondContact O-N 3.21Å |
| 761 | R | 58.6 | Low | 54.3 | Low | 66 Ų | 66 | 59.1 Ų | 59.1 | 25% | 0.249 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.1 | -30.4 | 179.2 | -85 | -78.2 | 174 | 163 | -7.7 | 113.7 | V757 Q763 H764 T765 D767 S768 F771 | V757-R761 HydrophobicContact CG1-CG 4.18Å; V757-R761 WeakPolarHBondContact O-CB 3.47Å; V757-R761 PolarHBondContact O-N 3.33Å; R761-Q763 PolarHBondContact O-N 3.03Å; R761-Q763 VanDerWaalsContact O-N 3.17Å; R761-H764 CarbonylContact O-C 3.06Å; R761-H764 PolarHBondContact O-N 3.33Å; R761-H764 VanDerWaalsContact O-N 3.14Å; R761-T765 VanDerWaalsContact O-CG2 3.26Å; R761-T765 WeakPolarHBondContact O-CG2 2.82Å; R761-T765 PolarHBondContact O-N 2.89Å; R761-D767 VanDerWaalsContact NH1-C 3.28Å; R761-D767 PolarHBondContact NH1-O 3.28Å; R761-S768 PolarHBondContact NH1-OG 3.08Å; R761-F771 HydrophobicContact CB-CD1 4.38Å; R761-F771 HydrophobicContact CB-CD2 3.73Å; R761-F771 HydrophobicContact CB-CE1 4.3Å; R761-F771 HydrophobicContact CB-CE2 3.64Å; R761-F771 HydrophobicContact CB-CG 4.12Å; R761-F771 HydrophobicContact CB-CZ 3.94Å; R761-F771 HydrophobicContact CG-CD2 4.43Å |
| 762 | S | 56.9 | Low | 54.7 | Low | 4 Ų | 4 | 59.6 Ų | 59.6 | 3% | 0.028 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -26.6 | 171.7 | 44.3 | 0 | 0 | 0 | 0 | 114.3 | I758 F759 T760 | I758-S762 WeakPolarHBondContact O-CB 3.37Å; I758-S762 PolarHBondContact O-N 3.38Å; I758-S762 PolarHBondContact O-OG 2.91Å; F759-S762 PolarHBondContact O-OG 3.31Å; T760-S762 VanDerWaalsContact C-N 3.26Å; T760-S762 PolarHBondContact O-N 3.37Å |
| 763 | Q | 52.1 | Low | 54.9 | Low | 101 Ų | 101 | 55.5 Ų | 55.5 | 47% | 0.472 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -20.7 | -179.8 | -59.2 | -179.3 | 67.3 | 0 | 0 | 113.2 | F759 T760 R761 | F759-Q763 PolarHBondContact O-NE2 3.41Å; T760-Q763 WeakPolarHBondContact O-CB 3.42Å; T760-Q763 PolarHBondContact O-N 3.21Å; R761-Q763 PolarHBondContact O-N 3.03Å; R761-Q763 VanDerWaalsContact O-N 3.17Å |
| 764 | H | 49.2 | Very low | 55 | Low | 131 Ų | 131 | 58.3 Ų | 58.3 | 61% | 0.606 | 30% | 0.296 | S | S | * | . | trans | -137 | 57.7 | -172.9 | -75.3 | -98 | 0 | 0 | 0 | 112 | R761 K766 | R761-H764 CarbonylContact O-C 3.06Å; R761-H764 PolarHBondContact O-N 3.33Å; R761-H764 VanDerWaalsContact O-N 3.14Å; H764-K766 VanDerWaalsContact C-N 3.28Å; H764-K766 PolarHBondContact O-N 3.13Å | ||
| 765 | T | 49.7 | Very low | 55.4 | Low | 34 Ų | 34 | 58.1 Ų | 58.1 | 21% | 0.209 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -75.9 | -5.7 | -175.7 | 47.4 | 0 | 0 | 0 | 0 | 115.7 | R761 D767 S768 F771 S809 | R761-T765 VanDerWaalsContact O-CG2 3.26Å; R761-T765 WeakPolarHBondContact O-CG2 2.82Å; R761-T765 PolarHBondContact O-N 2.89Å; T765-D767 PolarHBondContact O-N 3.05Å; T765-S768 CarbonylContact O-C 3.34Å; T765-S768 PolarHBondContact O-N 2.97Å; T765-F771 HydrophobicContact CG2-CD1 3.97Å; T765-S809 WeakPolarHBondContact CB-OG 3.16Å; T765-S809 WeakPolarHBondContact CG2-OG 3.21Å; T765-S809 WeakPolarHBondContact OG1-CB 3.42Å; T765-S809 PolarHBondContact OG1-OG 3.3Å |
| 766 | K | 49.5 | Very low | 55.8 | Low | 202 Ų | 202 | 56.9 Ų | 56.9 | 88% | 0.878 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -56.7 | -30.9 | 172 | -76.7 | -171.8 | 175.1 | -176.9 | 0 | 112.6 | H764 S768 | H764-K766 VanDerWaalsContact C-N 3.28Å; H764-K766 PolarHBondContact O-N 3.13Å; K766-S768 VanDerWaalsContact C-N 3.34Å |
| 767 | D | 43.9 | Very low | 56 | Low | 114 Ų | 114 | 55.1 Ų | 55.1 | 61% | 0.61 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -93.4 | 9.1 | -175 | -46.4 | -45.4 | 0 | 0 | 0 | 112.8 | R761 T765 | R761-D767 VanDerWaalsContact NH1-C 3.28Å; R761-D767 PolarHBondContact NH1-O 3.28Å; T765-D767 PolarHBondContact O-N 3.05Å |
| 768 | S | 45.8 | Very low | 56.1 | Low | 25 Ų | 25 | 54.6 Ų | 54.6 | 18% | 0.175 | 27% | 0.274 | C | S | . | . | trans | -169.1 | 92.4 | 173.6 | 51.7 | 0 | 0 | 0 | 0 | 111.8 | R761 T765 K766 D770 F771 | R761-S768 PolarHBondContact NH1-OG 3.08Å; T765-S768 CarbonylContact O-C 3.34Å; T765-S768 PolarHBondContact O-N 2.97Å; K766-S768 VanDerWaalsContact C-N 3.34Å; S768-D770 VanDerWaalsContact C-N 3.27Å; S768-D770 PolarHBondContact O-N 2.62Å; S768-F771 WeakPolarHBondContact O-CB 3.33Å; S768-F771 PolarHBondContact O-N 3.22Å | ||
| 769 | P | 51.3 | Low | 56.5 | Low | 109 Ų | 109 | 54.2 Ų | 54.2 | 71% | 0.708 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -28.7 | 178.1 | 27 | -34.4 | 0 | 0 | 0 | 113.1 | F771 P772 | P769-F771 VanDerWaalsContact C-N 3.26Å; P769-F771 PolarHBondContact O-N 3.37Å; P769-P772 WeakPolarHBondContact O-CD 3.47Å |
| 770 | D | 50.3 | Low | 56.8 | Low | 71 Ų | 71 | 53.6 Ų | 53.6 | 38% | 0.38 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -14.4 | 179.7 | -75.5 | 27.9 | 0 | 0 | 0 | 114.8 | R688 S768 P772 N773 Y774 | R688-D770 IonicContact CZ-OD2 3.54Å; R688-D770 IonicContact NE-OD2 2.77Å; R688-D770 IonicContact NH2-OD2 3.26Å; R688-D770 PolarHBondContact NH2-OD2 2.91Å; S768-D770 VanDerWaalsContact C-N 3.27Å; S768-D770 PolarHBondContact O-N 2.62Å; D770-P772 VanDerWaalsContact C-CD 3.41Å; D770-N773 PolarHBondContact O-N 2.9Å; D770-Y774 PolarHBondContact O-N 3.32Å |
| 771 | F | 61.4 | Low | 56.9 | Low | 13 Ų | 13 | 52.5 Ų | 52.5 | 6% | 0.057 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -54.5 | -40.1 | -172.5 | 171 | -101.1 | 0 | 0 | 0 | 114.8 | I758 R761 T765 S768 P769 N773 Y774 L775 | I758-F771 HydrophobicContact CB-CZ 4.48Å; I758-F771 HydrophobicContact CG2-CZ 4.4Å; R761-F771 HydrophobicContact CB-CD1 4.38Å; R761-F771 HydrophobicContact CB-CD2 3.73Å; R761-F771 HydrophobicContact CB-CE1 4.3Å; R761-F771 HydrophobicContact CB-CE2 3.64Å; R761-F771 HydrophobicContact CB-CG 4.12Å; R761-F771 HydrophobicContact CB-CZ 3.94Å; R761-F771 HydrophobicContact CG-CD2 4.43Å; T765-F771 HydrophobicContact CG2-CD1 3.97Å; S768-F771 WeakPolarHBondContact O-CB 3.33Å; S768-F771 PolarHBondContact O-N 3.22Å; P769-F771 VanDerWaalsContact C-N 3.26Å; P769-F771 PolarHBondContact O-N 3.37Å; F771-N773 VanDerWaalsContact C-N 3.34Å; F771-N773 PolarHBondContact O-N 3.31Å; F771-Y774 PolarHBondContact O-N 2.97Å; F771-L775 HydrophobicContact CE1-CD2 4.37Å; F771-L775 HydrophobicContact CZ-CD2 4.45Å; F771-L775 VanDerWaalsContact O-CB 3.26Å; F771-L775 WeakPolarHBondContact O-CB 3.47Å; F771-L775 PolarHBondContact O-N 3.3Å |
| 772 | P | 63.1 | Low | 56.9 | Low | 20 Ų | 20 | 49.8 Ų | 49.8 | 13% | 0.13 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.9 | -41 | 175 | -22.7 | 35.6 | 0 | 0 | 0 | 112.8 | P769 D770 L775 E776 S809 C810 A813 | P769-P772 WeakPolarHBondContact O-CD 3.47Å; D770-P772 VanDerWaalsContact C-CD 3.41Å; P772-L775 WeakPolarHBondContact O-CB 3.45Å; P772-L775 PolarHBondContact O-N 3.07Å; P772-E776 PolarHBondContact O-N 3.24Å; P772-S809 WeakPolarHBondContact CG-O 3.19Å; P772-C810 HydrophobicContact CB-CB 3.95Å; P772-C810 HydrophobicContact CG-CB 4.03Å; P772-A813 HydrophobicContact CB-CB 4.27Å; P772-A813 WeakPolarHBondContact O-CB 3.49Å |
| 773 | N | 62.2 | Low | 57.3 | Low | 69 Ų | 69 | 49.8 Ų | 49.8 | 37% | 0.369 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.3 | -49.4 | 179.3 | -64.1 | -6.3 | 0 | 0 | 0 | 109.5 | D770 F771 L775 E776 E777 W1118 | D770-N773 PolarHBondContact O-N 2.9Å; F771-N773 VanDerWaalsContact C-N 3.34Å; F771-N773 PolarHBondContact O-N 3.31Å; N773-L775 VanDerWaalsContact C-N 3.27Å; N773-L775 PolarHBondContact O-N 3.14Å; N773-E776 PolarHBondContact O-N 3.17Å; N773-E776 VanDerWaalsContact O-N 3.15Å; N773-E777 WeakPolarHBondContact O-CB 3.43Å; N773-E777 PolarHBondContact O-N 3.32Å; N773-W1118 VanDerWaalsContact CA-CZ2 3.43Å; N773-W1118 HydrophobicContact CB-CH2 3.66Å; N773-W1118 HydrophobicContact CB-CZ2 3.6Å; N773-W1118 HydrophobicContact CB-CZ3 4.36Å; N773-W1118 WeakPolarHBondContact O-CH2 3.45Å; N773-W1118 WeakPolarHBondContact O-CZ2 3.47Å |
| 774 | Y | 57.7 | Low | 57.8 | Low | 74 Ų | 74 | 52 Ų | 52 | 29% | 0.29 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -55.7 | -40.8 | 174.8 | 177.1 | -101.4 | 0 | 0 | 0 | 112.9 | D770 F771 V778 | D770-Y774 PolarHBondContact O-N 3.32Å; F771-Y774 PolarHBondContact O-N 2.97Å; Y774-V778 HydrophobicContact CD2-CG2 3.88Å; Y774-V778 HydrophobicContact CE1-CG2 4.47Å; Y774-V778 HydrophobicContact CE2-CG2 3.57Å; Y774-V778 HydrophobicContact CG-CG2 4.46Å; Y774-V778 WeakPolarHBondContact O-CB 3.45Å; Y774-V778 WeakPolarHBondContact O-CG2 3.48Å; Y774-V778 PolarHBondContact O-N 2.91Å; Y774-V778 VanDerWaalsContact O-N 3.14Å |
| 775 | L | 65.1 | Low | 58.2 | Low | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.5 | -47.3 | 175.9 | 174.4 | 68.6 | 0 | 0 | 0 | 112.4 | I758 F771 P772 N773 L779 C810 A813 | I758-L775 HydrophobicContact CB-CD1 4.37Å; I758-L775 HydrophobicContact CD1-CD1 3.55Å; I758-L775 HydrophobicContact CG1-CD1 3.68Å; I758-L775 HydrophobicContact CG2-CD1 3.76Å; F771-L775 HydrophobicContact CE1-CD2 4.37Å; F771-L775 HydrophobicContact CZ-CD2 4.45Å; F771-L775 VanDerWaalsContact O-CB 3.26Å; F771-L775 WeakPolarHBondContact O-CB 3.47Å; F771-L775 PolarHBondContact O-N 3.3Å; P772-L775 WeakPolarHBondContact O-CB 3.45Å; P772-L775 PolarHBondContact O-N 3.07Å; N773-L775 VanDerWaalsContact C-N 3.27Å; N773-L775 PolarHBondContact O-N 3.14Å; L775-L779 HydrophobicContact CD1-CD1 3.51Å; L775-L779 HydrophobicContact CD1-CG 4.29Å; L775-L779 HydrophobicContact CG-CD1 4.35Å; L775-L779 WeakPolarHBondContact O-CB 3.33Å; L775-L779 WeakPolarHBondContact O-CG 3.43Å; L775-L779 PolarHBondContact O-N 3.22Å; L775-C810 HydrophobicContact CD2-CB 4.12Å; L775-A813 HydrophobicContact CB-CB 4.41Å; L775-A813 HydrophobicContact CD2-CB 3.99Å; L775-A813 HydrophobicContact CG-CB 4.28Å |
| 776 | E | 64 | Low | 58.6 | Low | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.019 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.6 | -46.8 | -179.7 | -163.9 | 173.4 | 176.2 | 0 | 0 | 110.8 | P772 N773 V780 A813 S816 H1117 W1118 Y1119 | P772-E776 PolarHBondContact O-N 3.24Å; N773-E776 PolarHBondContact O-N 3.17Å; N773-E776 VanDerWaalsContact O-N 3.15Å; E776-V780 HydrophobicContact CG-CG2 4.02Å; E776-V780 WeakPolarHBondContact O-CB 3.43Å; E776-V780 VanDerWaalsContact O-CG2 3.25Å; E776-V780 WeakPolarHBondContact O-CG2 3.37Å; E776-V780 PolarHBondContact O-N 2.98Å; E776-A813 HydrophobicContact CB-CB 3.76Å; E776-A813 HydrophobicContact CG-CB 4.39Å; E776-S816 WeakPolarHBondContact OE1-CB 3.28Å; E776-S816 PolarHBondContact OE1-OG 2.84Å; E776-H1117 IonicContact OE1-CD2 2.75Å; E776-W1118 HydrophobicContact CB-CZ2 4.16Å; E776-W1118 PolarHBondContact OE2-NE1 3.05Å; E776-Y1119 HydrophobicContact CG-CD1 3.84Å; E776-Y1119 HydrophobicContact CG-CE1 4.04Å; E776-Y1119 WeakPolarHBondContact OE1-CD1 3.38Å; E776-Y1119 WeakPolarHBondContact OE1-CE1 3.39Å |
| 777 | E | 61.5 | Low | 59.1 | Low | 15 Ų | 15 | 38.4 Ų | 38.4 | 7% | 0.07 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.4 | -46.1 | -174.5 | -151.4 | 179.2 | 165.4 | 0 | 0 | 113.1 | N692 N773 G781 W1118 | N692-E777 WeakPolarHBondContact CB-OE1 3.49Å; N692-E777 PolarHBondContact ND2-OE1 2.95Å; N692-E777 PolarHBondContact ND2-OE2 2.89Å; N773-E777 WeakPolarHBondContact O-CB 3.43Å; N773-E777 PolarHBondContact O-N 3.32Å; E777-G781 PolarHBondContact O-N 2.88Å; E777-G781 VanDerWaalsContact O-N 3.13Å; E777-W1118 HydrophobicContact CB-CH2 3.69Å; E777-W1118 HydrophobicContact CB-CZ2 4.07Å; E777-W1118 HydrophobicContact CG-CH2 3.87Å; E777-W1118 HydrophobicContact CG-CZ3 4.46Å; E777-W1118 WeakPolarHBondContact OE2-CH2 3.31Å |
| 778 | V | 59.5 | Low | 59.8 | Low | 6 Ų | 6 | 38.5 Ų | 38.5 | 4% | 0.036 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -73.1 | -31.5 | -177.8 | 173.9 | 0 | 0 | 0 | 0 | 112 | I754 Y774 N782 | I754-V778 HydrophobicContact CD1-CG1 4.02Å; Y774-V778 HydrophobicContact CD2-CG2 3.88Å; Y774-V778 HydrophobicContact CE1-CG2 4.47Å; Y774-V778 HydrophobicContact CE2-CG2 3.57Å; Y774-V778 HydrophobicContact CG-CG2 4.46Å; Y774-V778 WeakPolarHBondContact O-CB 3.45Å; Y774-V778 WeakPolarHBondContact O-CG2 3.48Å; Y774-V778 PolarHBondContact O-N 2.91Å; Y774-V778 VanDerWaalsContact O-N 3.14Å; V778-N782 PolarHBondContact O-ND2 3.4Å |
| 779 | L | 67.3 | Low | 60.2 | Low | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -87.3 | -47.3 | 178.6 | -63.5 | -176.8 | 0 | 0 | 0 | 112.5 | I758 L775 G781 N782 T783 L786 L793 M797 V817 | I758-L779 HydrophobicContact CD1-CD1 4.02Å; I758-L779 HydrophobicContact CD1-CD2 4.37Å; I758-L779 HydrophobicContact CD1-CG 4.48Å; L775-L779 HydrophobicContact CD1-CD1 3.51Å; L775-L779 HydrophobicContact CD1-CG 4.29Å; L775-L779 HydrophobicContact CG-CD1 4.35Å; L775-L779 WeakPolarHBondContact O-CB 3.33Å; L775-L779 WeakPolarHBondContact O-CG 3.43Å; L775-L779 PolarHBondContact O-N 3.22Å; L779-G781 VanDerWaalsContact C-N 3.33Å; L779-G781 PolarHBondContact O-N 2.85Å; L779-N782 PolarHBondContact O-N 3.47Å; L779-T783 PolarHBondContact O-N 3.11Å; L779-T783 VanDerWaalsContact O-N 3.09Å; L779-T783 PolarHBondContact O-OG1 2.85Å; L779-L786 HydrophobicContact CD2-CD1 4.19Å; L779-L786 HydrophobicContact CD2-CD2 3.86Å; L779-L793 HydrophobicContact CD2-CD2 4.07Å; L779-M797 HydrophobicContact CD1-SD 4.34Å; L779-V817 HydrophobicContact CB-CB 4.34Å; L779-V817 HydrophobicContact CB-CG1 3.62Å; L779-V817 HydrophobicContact CB-CG2 3.67Å; L779-V817 HydrophobicContact CD1-CG1 3.93Å; L779-V817 HydrophobicContact CD1-CG2 4.28Å; L779-V817 HydrophobicContact CG-CG1 4.44Å |
| 780 | V | 65.5 | Low | 60.7 | Low | 20 Ų | 20 | 36.7 Ų | 36.7 | 12% | 0.121 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.9 | -46.3 | 177.3 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | E776 N782 T783 V817 V820 Y1119 | E776-V780 HydrophobicContact CG-CG2 4.02Å; E776-V780 WeakPolarHBondContact O-CB 3.43Å; E776-V780 VanDerWaalsContact O-CG2 3.25Å; E776-V780 WeakPolarHBondContact O-CG2 3.37Å; E776-V780 PolarHBondContact O-N 2.98Å; V780-N782 PolarHBondContact O-N 3.17Å; V780-N782 VanDerWaalsContact O-N 3.08Å; V780-T783 WeakPolarHBondContact CA-OG1 3.35Å; V780-T783 PolarHBondContact O-N 2.85Å; V780-T783 PolarHBondContact O-OG1 3.39Å; V780-V817 HydrophobicContact CG2-CB 4.48Å; V780-V817 HydrophobicContact CG2-CG2 3.77Å; V780-V820 HydrophobicContact CB-CG2 4.37Å; V780-V820 HydrophobicContact CG1-CG2 3.92Å; V780-V820 HydrophobicContact CG2-CG2 3.88Å; V780-Y1119 HydrophobicContact CB-CE2 4.45Å; V780-Y1119 HydrophobicContact CG1-CD2 3.88Å; V780-Y1119 HydrophobicContact CG1-CE1 4.37Å; V780-Y1119 HydrophobicContact CG1-CE2 3.48Å; V780-Y1119 VanDerWaalsContact CG1-CE2 3.48Å; V780-Y1119 HydrophobicContact CG2-CE1 4.26Å |
| 781 | G | 61.1 | Low | 61.4 | Low | 21 Ų | 21 | 39 Ų | 39 | 22% | 0.216 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -23.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | E777 L779 | E777-G781 PolarHBondContact O-N 2.88Å; E777-G781 VanDerWaalsContact O-N 3.13Å; L779-G781 VanDerWaalsContact C-N 3.33Å; L779-G781 PolarHBondContact O-N 2.85Å |
| 782 | N | 58.6 | Low | 61.6 | Low | 10 Ų | 10 | 44.9 Ų | 44.9 | 5% | 0.053 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.7 | 15.5 | -170.1 | -54.3 | -53.4 | 0 | 0 | 0 | 112.8 | L699 F751 V778 L779 V780 K784 E785 L786 | L699-N782 HydrophobicContact CD1-CB 4.09Å; L699-N782 WeakPolarHBondContact CD1-ND2 3.44Å; L699-N782 WeakPolarHBondContact CD1-OD1 3.39Å; F751-N782 HydrophobicContact CZ-CB 4.29Å; V778-N782 PolarHBondContact O-ND2 3.4Å; L779-N782 PolarHBondContact O-N 3.47Å; V780-N782 PolarHBondContact O-N 3.17Å; V780-N782 VanDerWaalsContact O-N 3.08Å; N782-K784 VanDerWaalsContact C-N 3.33Å; N782-K784 PolarHBondContact O-N 3.43Å; N782-E785 PolarHBondContact O-N 3.5Å; N782-E785 VanDerWaalsContact O-N 3.09Å; N782-L786 HydrophobicContact CB-CD1 3.78Å; N782-L786 WeakPolarHBondContact O-CD1 3.41Å; N782-L786 PolarHBondContact O-N 3.28Å |
| 783 | T | 63.9 | Low | 61.9 | Low | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.8 | -40.1 | -168.6 | -68.6 | 0 | 0 | 0 | 0 | 113.5 | L779 V780 E785 L786 I787 V820 V821 | L779-T783 PolarHBondContact O-N 3.11Å; L779-T783 VanDerWaalsContact O-N 3.09Å; L779-T783 PolarHBondContact O-OG1 2.85Å; V780-T783 WeakPolarHBondContact CA-OG1 3.35Å; V780-T783 PolarHBondContact O-N 2.85Å; V780-T783 PolarHBondContact O-OG1 3.39Å; T783-E785 VanDerWaalsContact C-N 3.32Å; T783-E785 PolarHBondContact O-N 3.43Å; T783-L786 PolarHBondContact O-N 3.23Å; T783-I787 HydrophobicContact CG2-CD1 3.48Å; T783-I787 VanDerWaalsContact CG2-CD1 3.48Å; T783-I787 HydrophobicContact CG2-CG1 3.99Å; T783-I787 WeakPolarHBondContact O-CB 3.17Å; T783-I787 VanDerWaalsContact O-CG1 3.26Å; T783-I787 WeakPolarHBondContact O-CG1 3.47Å; T783-I787 PolarHBondContact O-N 2.83Å; T783-V820 HydrophobicContact CG2-CB 4.2Å; T783-V820 HydrophobicContact CG2-CG1 3.68Å; T783-V821 HydrophobicContact CG2-CB 4.45Å; T783-V821 HydrophobicContact CG2-CG2 3.73Å |
| 784 | K | 63.7 | Low | 62.4 | Low | 148 Ų | 148 | 41 Ų | 41 | 64% | 0.643 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -54.6 | -43.1 | 176.5 | -67.6 | -177.6 | 179.9 | 178.5 | 0 | 114 | N782 T788 E824 | N782-K784 VanDerWaalsContact C-N 3.33Å; N782-K784 PolarHBondContact O-N 3.43Å; K784-T788 PolarHBondContact O-N 3.14Å; K784-T788 PolarHBondContact O-OG1 3.04Å; K784-T788 VanDerWaalsContact O-OG1 3.14Å; K784-E824 WeakPolarHBondContact CE-OE1 3.13Å; K784-E824 WeakPolarHBondContact CG-OE2 3.46Å; K784-E824 PolarHBondContact N-OE2 3.25Å; K784-E824 IonicContact NZ-OE1 3.78Å |
| 785 | E | 56.4 | Low | 63 | Low | 54 Ų | 54 | 41.8 Ų | 41.8 | 25% | 0.252 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -76.1 | -40 | -177.9 | -62.8 | 178.8 | -158.3 | 0 | 0 | 110.8 | L699 N782 T783 T788 C789 | L699-E785 WeakPolarHBondContact CB-OE2 3.33Å; N782-E785 PolarHBondContact O-N 3.5Å; N782-E785 VanDerWaalsContact O-N 3.09Å; T783-E785 VanDerWaalsContact C-N 3.32Å; T783-E785 PolarHBondContact O-N 3.43Å; E785-T788 PolarHBondContact O-N 2.76Å; E785-T788 PolarHBondContact O-OG1 2.9Å; E785-C789 PolarHBondContact O-N 3.07Å; E785-C789 VanDerWaalsContact O-N 3.15Å; E785-C789 PolarHBondContact O-SG 3.08Å; E785-C789 VanDerWaalsContact O-SG 3.36Å |
| 786 | L | 58.5 | Low | 63.2 | Low | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.2 | -34.5 | 173.9 | -82.1 | 119.3 | 0 | 0 | 0 | 113.3 | F751 L779 N782 T783 T788 C789 N790 L793 F794 | F751-L786 HydrophobicContact CD1-CD1 4.04Å; F751-L786 HydrophobicContact CD1-CD2 4.04Å; F751-L786 HydrophobicContact CD1-CG 4.07Å; F751-L786 HydrophobicContact CE1-CD1 3.54Å; F751-L786 HydrophobicContact CE1-CD2 4.4Å; F751-L786 HydrophobicContact CE1-CG 4.01Å; F751-L786 HydrophobicContact CG-CD2 4.41Å; F751-L786 HydrophobicContact CG-CG 4.39Å; F751-L786 HydrophobicContact CZ-CD1 3.85Å; F751-L786 HydrophobicContact CZ-CG 4.22Å; L779-L786 HydrophobicContact CD2-CD1 4.19Å; L779-L786 HydrophobicContact CD2-CD2 3.86Å; N782-L786 HydrophobicContact CB-CD1 3.78Å; N782-L786 WeakPolarHBondContact O-CD1 3.41Å; N782-L786 PolarHBondContact O-N 3.28Å; T783-L786 PolarHBondContact O-N 3.23Å; L786-T788 VanDerWaalsContact C-N 3.31Å; L786-T788 PolarHBondContact O-N 2.82Å; L786-C789 PolarHBondContact O-N 2.78Å; L786-N790 CarbonylContact O-C 3.15Å; L786-N790 PolarHBondContact O-N 2.9Å; L786-L793 HydrophobicContact CD2-CD2 3.39Å; L786-F794 HydrophobicContact CB-CE2 3.79Å; L786-F794 HydrophobicContact CB-CZ 3.57Å; L786-F794 HydrophobicContact CD2-CZ 4.18Å; L786-F794 HydrophobicContact CG-CZ 4.4Å |
| 787 | I | 61.4 | Low | 63.6 | Low | 26 Ų | 26 | 48.5 Ų | 48.5 | 13% | 0.133 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.3 | -41.2 | 174.5 | -76.5 | 165 | 0 | 0 | 0 | 111 | T783 K791 F794 V821 E824 T825 | T783-I787 HydrophobicContact CG2-CD1 3.48Å; T783-I787 VanDerWaalsContact CG2-CD1 3.48Å; T783-I787 HydrophobicContact CG2-CG1 3.99Å; T783-I787 WeakPolarHBondContact O-CB 3.17Å; T783-I787 VanDerWaalsContact O-CG1 3.26Å; T783-I787 WeakPolarHBondContact O-CG1 3.47Å; T783-I787 PolarHBondContact O-N 2.83Å; I787-K791 WeakPolarHBondContact O-CG 3.35Å; I787-F794 HydrophobicContact CG1-CE2 4.27Å; I787-V821 HydrophobicContact CG1-CG1 4.26Å; I787-E824 HydrophobicContact CD1-CB 3.63Å; I787-T825 HydrophobicContact CB-CG2 4.47Å; I787-T825 HydrophobicContact CD1-CG2 3.83Å; I787-T825 HydrophobicContact CG1-CG2 3.93Å; I787-T825 HydrophobicContact CG2-CG2 3.67Å |
| 788 | T | 57 | Low | 64.1 | Low | 115 Ų | 115 | 49.1 Ų | 49.1 | 71% | 0.706 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -73.4 | -29.5 | -180 | 41.1 | 0 | 0 | 0 | 0 | 112.7 | K784 E785 L786 | K784-T788 PolarHBondContact O-N 3.14Å; K784-T788 PolarHBondContact O-OG1 3.04Å; K784-T788 VanDerWaalsContact O-OG1 3.14Å; E785-T788 PolarHBondContact O-N 2.76Å; E785-T788 PolarHBondContact O-OG1 2.9Å; L786-T788 VanDerWaalsContact C-N 3.31Å; L786-T788 PolarHBondContact O-N 2.82Å |
| 789 | C | 54.9 | Low | 64.9 | Low | 66 Ų | 66 | 54.3 Ų | 54.3 | 45% | 0.446 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -100.1 | -28.9 | -175.9 | -57.6 | 0 | 0 | 0 | 0 | 115.2 | E785 L786 | E785-C789 PolarHBondContact O-N 3.07Å; E785-C789 VanDerWaalsContact O-N 3.15Å; E785-C789 PolarHBondContact O-SG 3.08Å; E785-C789 VanDerWaalsContact O-SG 3.36Å; L786-C789 PolarHBondContact O-N 2.78Å |
| 790 | N | 61.6 | Low | 65.3 | Low | 30 Ų | 30 | 56.3 Ų | 56.3 | 16% | 0.16 | 29% | 0.287 | C | S | . | . | trans | -156.3 | 58 | -164.6 | -160.6 | -7.4 | 0 | 0 | 0 | 115.3 | Q755 L786 Q792 L793 | Q755-N790 PolarHBondContact OE1-ND2 2.96Å; L786-N790 CarbonylContact O-C 3.15Å; L786-N790 PolarHBondContact O-N 2.9Å; N790-Q792 PolarHBondContact O-N 2.9Å; N790-Q792 VanDerWaalsContact O-N 3.12Å; N790-L793 HydrophobicContact CB-CB 4.49Å; N790-L793 VanDerWaalsContact O-CB 3.29Å; N790-L793 WeakPolarHBondContact O-CB 3.35Å; N790-L793 PolarHBondContact O-N 3.14Å; N790-L793 PolarHBondContact OD1-N 3.49Å | ||
| 791 | K | 64.4 | Low | 65.8 | Low | 121 Ų | 121 | 55.4 Ų | 55.4 | 53% | 0.526 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -49.8 | -38 | 174.3 | -71 | -164.6 | 173.1 | -167.6 | 0 | 113.8 | I787 L793 F794 D795 | I787-K791 WeakPolarHBondContact O-CG 3.35Å; K791-L793 PolarHBondContact O-N 3.31Å; K791-L793 VanDerWaalsContact O-N 3.08Å; K791-F794 PolarHBondContact O-N 2.72Å; K791-D795 PolarHBondContact O-N 3.09Å |
| 792 | Q | 66.8 | Low | 66.6 | Low | 136 Ų | 136 | 54.4 Ų | 54.4 | 64% | 0.636 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -57.6 | -24.3 | 179.4 | -62.3 | -174.8 | 6.6 | 0 | 0 | 114.2 | N790 D795 R796 | N790-Q792 PolarHBondContact O-N 2.9Å; N790-Q792 VanDerWaalsContact O-N 3.12Å; Q792-D795 WeakPolarHBondContact CA-OD2 3.22Å; Q792-R796 WeakPolarHBondContact O-CB 3.45Å; Q792-R796 WeakPolarHBondContact O-CG 3.34Å; Q792-R796 PolarHBondContact O-N 3.11Å; Q792-R796 VanDerWaalsContact O-N 3.11Å |
| 793 | L | 69.2 | Low | 67.5 | Low | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.1 | -48.1 | 171.6 | 174.4 | 65.8 | 0 | 0 | 0 | 111.2 | Q755 F759 L779 L786 N790 K791 R796 M797 | Q755-L793 HydrophobicContact CB-CD1 3.95Å; Q755-L793 HydrophobicContact CG-CD1 3.7Å; F759-L793 HydrophobicContact CE2-CD1 3.9Å; F759-L793 HydrophobicContact CZ-CD1 4.36Å; L779-L793 HydrophobicContact CD2-CD2 4.07Å; L786-L793 HydrophobicContact CD2-CD2 3.39Å; N790-L793 HydrophobicContact CB-CB 4.49Å; N790-L793 VanDerWaalsContact O-CB 3.29Å; N790-L793 WeakPolarHBondContact O-CB 3.35Å; N790-L793 PolarHBondContact O-N 3.14Å; N790-L793 PolarHBondContact OD1-N 3.49Å; K791-L793 PolarHBondContact O-N 3.31Å; K791-L793 VanDerWaalsContact O-N 3.08Å; L793-R796 PolarHBondContact O-N 3.14Å; L793-M797 WeakPolarHBondContact O-CB 3.41Å; L793-M797 PolarHBondContact O-N 3.44Å |
| 794 | F | 72.2 | Confident | 68.3 | Low | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -76.3 | -36.3 | -174.4 | -56.6 | -58.7 | 0 | 0 | 0 | 111.7 | L786 I787 K791 R796 M797 N798 V817 V821 | L786-F794 HydrophobicContact CB-CE2 3.79Å; L786-F794 HydrophobicContact CB-CZ 3.57Å; L786-F794 HydrophobicContact CD2-CZ 4.18Å; L786-F794 HydrophobicContact CG-CZ 4.4Å; I787-F794 HydrophobicContact CG1-CE2 4.27Å; K791-F794 PolarHBondContact O-N 2.72Å; F794-R796 VanDerWaalsContact C-N 3.33Å; F794-R796 PolarHBondContact O-N 3.08Å; F794-M797 HydrophobicContact CD1-CE 4.19Å; F794-M797 PolarHBondContact O-N 3.08Å; F794-M797 VanDerWaalsContact O-N 3.16Å; F794-N798 PolarHBondContact O-N 3.34Å; F794-V817 HydrophobicContact CD1-CG1 4.02Å; F794-V817 HydrophobicContact CE1-CG1 3.66Å; F794-V821 HydrophobicContact CB-CG1 4.11Å; F794-V821 HydrophobicContact CB-CG2 4.29Å; F794-V821 HydrophobicContact CD1-CG2 3.58Å; F794-V821 HydrophobicContact CD2-CB 4.42Å; F794-V821 HydrophobicContact CD2-CG1 3.84Å; F794-V821 HydrophobicContact CD2-CG2 3.65Å; F794-V821 HydrophobicContact CE1-CG2 3.62Å; F794-V821 HydrophobicContact CE2-CG1 4.43Å; F794-V821 HydrophobicContact CE2-CG2 3.69Å; F794-V821 HydrophobicContact CG-CB 4.36Å; F794-V821 HydrophobicContact CG-CG1 4.03Å; F794-V821 HydrophobicContact CG-CG2 3.57Å; F794-V821 HydrophobicContact CZ-CG2 3.66Å |
| 795 | D | 70.1 | Confident | 68.8 | Low | 90 Ų | 90 | 52.8 Ų | 52.8 | 48% | 0.481 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.2 | -46.7 | 169.9 | -58.8 | -42.6 | 0 | 0 | 0 | 111 | K791 Q792 N799 | K791-D795 PolarHBondContact O-N 3.09Å; Q792-D795 WeakPolarHBondContact CA-OD2 3.22Å; D795-N799 WeakPolarHBondContact O-CB 3.47Å; D795-N799 PolarHBondContact O-N 2.89Å; D795-N799 PolarHBondContact O-ND2 3.02Å |
| 796 | R | 70.1 | Confident | 69.6 | Low | 146 Ų | 146 | 56.5 Ų | 56.5 | 55% | 0.551 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -66.1 | -38.1 | 173.9 | -76.9 | -173.8 | 175.7 | -164.9 | 1.4 | 112.6 | F759 Q792 L793 F794 N798 N799 V800 | F759-R796 HydrophobicContact CE1-CB 4Å; F759-R796 HydrophobicContact CE2-CB 4.03Å; F759-R796 HydrophobicContact CZ-CB 3.4Å; F759-R796 VanDerWaalsContact CZ-CB 3.4Å; Q792-R796 WeakPolarHBondContact O-CB 3.45Å; Q792-R796 WeakPolarHBondContact O-CG 3.34Å; Q792-R796 PolarHBondContact O-N 3.11Å; Q792-R796 VanDerWaalsContact O-N 3.11Å; L793-R796 PolarHBondContact O-N 3.14Å; F794-R796 VanDerWaalsContact C-N 3.33Å; F794-R796 PolarHBondContact O-N 3.08Å; R796-N798 VanDerWaalsContact C-N 3.34Å; R796-N798 PolarHBondContact O-N 3.12Å; R796-N799 PolarHBondContact O-N 3.09Å; R796-V800 HydrophobicContact CB-CG2 4.49Å; R796-V800 WeakPolarHBondContact O-CA 3.27Å; R796-V800 WeakPolarHBondContact O-CB 2.97Å; R796-V800 WeakPolarHBondContact O-CG2 3.49Å; R796-V800 PolarHBondContact O-N 3.08Å |
| 797 | M | 71.7 | Confident | 70.4 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.7 | -41.1 | 178.9 | -173.9 | -175 | 68.2 | 0 | 0 | 111.3 | L779 L793 F794 L801 L802 C814 V817 | L779-M797 HydrophobicContact CD1-SD 4.34Å; L793-M797 WeakPolarHBondContact O-CB 3.41Å; L793-M797 PolarHBondContact O-N 3.44Å; F794-M797 HydrophobicContact CD1-CE 4.19Å; F794-M797 PolarHBondContact O-N 3.08Å; F794-M797 VanDerWaalsContact O-N 3.16Å; M797-L801 HydrophobicContact CG-CD1 4.35Å; M797-L801 WeakPolarHBondContact O-CA 3.14Å; M797-L801 WeakPolarHBondContact O-CB 3.47Å; M797-L801 PolarHBondContact O-N 2.76Å; M797-L801 VanDerWaalsContact O-N 3.1Å; M797-L802 PolarHBondContact O-N 2.91Å; M797-C814 WeakPolarHBondContact CE-O 3.19Å; M797-C814 HydrophobicContact CG-CB 4.21Å; M797-C814 HydrophobicContact SD-CB 4.32Å; M797-V817 HydrophobicContact CE-CB 3.83Å; M797-V817 HydrophobicContact CE-CG1 3.71Å; M797-V817 HydrophobicContact SD-CB 4.16Å; M797-V817 HydrophobicContact SD-CG1 4.08Å |
| 798 | N | 72.7 | Confident | 71 | Confident | 28 Ų | 28 | 57.4 Ų | 57.4 | 15% | 0.15 | 30% | 0.302 | C | S | . | . | I | π-helix | trans | -62.3 | -57.1 | 173.2 | -170 | 32.5 | 0 | 0 | 0 | 111 | F794 R796 V800 L802 Y818 | F794-N798 PolarHBondContact O-N 3.34Å; R796-N798 VanDerWaalsContact C-N 3.34Å; R796-N798 PolarHBondContact O-N 3.12Å; N798-V800 PolarHBondContact O-N 3.36Å; N798-L802 PolarHBondContact O-N 3.15Å; N798-Y818 HydrophobicContact CB-CD2 3.9Å; N798-Y818 HydrophobicContact CB-CE2 3.8Å |
| 799 | N | 76.6 | Confident | 71.6 | Confident | 114 Ų | 114 | 54.6 Ų | 54.6 | 61% | 0.61 | 29% | 0.286 | S | S | * | . | I | π-helix | trans | -73.7 | -26 | -170.8 | -63.2 | -15.2 | 0 | 0 | 0 | 114.3 | D795 R796 | D795-N799 WeakPolarHBondContact O-CB 3.47Å; D795-N799 PolarHBondContact O-N 2.89Å; D795-N799 PolarHBondContact O-ND2 3.02Å; R796-N799 PolarHBondContact O-N 3.09Å |
| 800 | V | 74.2 | Confident | 72.6 | Confident | 44 Ų | 44 | 51.5 Ų | 51.5 | 27% | 0.267 | 27% | 0.266 | S | S | . | . | I | π-helix | trans | -110.6 | -25.3 | -172.7 | -172.3 | 0 | 0 | 0 | 0 | 112.9 | F759 R796 N798 T804 | F759-V800 HydrophobicContact CE1-CB 4.34Å; R796-V800 HydrophobicContact CB-CG2 4.49Å; R796-V800 WeakPolarHBondContact O-CA 3.27Å; R796-V800 WeakPolarHBondContact O-CB 2.97Å; R796-V800 WeakPolarHBondContact O-CG2 3.49Å; R796-V800 PolarHBondContact O-N 3.08Å; N798-V800 PolarHBondContact O-N 3.36Å; V800-T804 VanDerWaalsContact O-CG2 3.27Å; V800-T804 WeakPolarHBondContact O-CG2 3.4Å; V800-T804 PolarHBondContact O-OG1 3.13Å |
| 801 | L | 76.4 | Confident | 73.6 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -114.1 | -60.2 | -178.8 | -57.6 | 179.3 | 0 | 0 | 0 | 112.5 | I758 F759 M797 A803 T804 R806 G807 | I758-L801 HydrophobicContact CG2-CD1 4.12Å; F759-L801 HydrophobicContact CD1-CD1 4Å; F759-L801 HydrophobicContact CD1-CD2 4.35Å; F759-L801 HydrophobicContact CD1-CG 4.1Å; F759-L801 HydrophobicContact CE1-CD1 3.87Å; F759-L801 HydrophobicContact CE1-CG 3.96Å; M797-L801 HydrophobicContact CG-CD1 4.35Å; M797-L801 WeakPolarHBondContact O-CA 3.14Å; M797-L801 WeakPolarHBondContact O-CB 3.47Å; M797-L801 PolarHBondContact O-N 2.76Å; M797-L801 VanDerWaalsContact O-N 3.1Å; L801-A803 PolarHBondContact O-N 3.36Å; L801-T804 PolarHBondContact O-N 3.11Å; L801-T804 VanDerWaalsContact O-N 3.14Å; L801-T804 PolarHBondContact O-OG1 3.41Å; L801-R806 HydrophobicContact CD2-CB 3.89Å; L801-G807 VanDerWaalsContact O-CA 3.25Å; L801-G807 WeakPolarHBondContact O-CA 3.45Å; L801-G807 PolarHBondContact O-N 2.89Å |
| 802 | L | 79.1 | Confident | 74.5 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | I | π-helix | trans | -56.7 | -46.6 | -167.8 | -179.6 | 57.5 | 0 | 0 | 0 | 112.9 | M797 N798 R811 C814 A815 Y818 M838 G859 | M797-L802 PolarHBondContact O-N 2.91Å; N798-L802 PolarHBondContact O-N 3.15Å; L802-R811 PolarHBondContact O-NH1 2.86Å; L802-C814 HydrophobicContact CB-CB 4.33Å; L802-C814 HydrophobicContact CD1-CB 4.29Å; L802-A815 HydrophobicContact CD1-CB 3.87Å; L802-Y818 HydrophobicContact CD2-CG 4.5Å; L802-M838 HydrophobicContact CD2-CE 4.15Å; L802-G859 WeakPolarHBondContact O-CA 3.46Å |
| 803 | A | 76.8 | Confident | 75 | Confident | 31 Ų | 31 | 41.8 Ų | 41.8 | 26% | 0.256 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 2.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L801 H855 A856 M860 | L801-A803 PolarHBondContact O-N 3.36Å; A803-H855 CarbonylContact O-C 3.56Å; A803-A856 VanDerWaalsContact O-CA 3.28Å; A803-A856 WeakPolarHBondContact O-CA 3.45Å; A803-A856 PolarHBondContact O-N 3.42Å; A803-M860 HydrophobicContact CB-CE 3.9Å |
| 804 | T | 79.9 | Confident | 75.5 | Confident | 30 Ų | 30 | 41.6 Ų | 41.6 | 18% | 0.184 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -121.6 | 168 | -165.3 | 85 | 0 | 0 | 0 | 0 | 112.3 | V800 L801 R806 R811 | V800-T804 VanDerWaalsContact O-CG2 3.27Å; V800-T804 WeakPolarHBondContact O-CG2 3.4Å; V800-T804 PolarHBondContact O-OG1 3.13Å; L801-T804 PolarHBondContact O-N 3.11Å; L801-T804 VanDerWaalsContact O-N 3.14Å; L801-T804 PolarHBondContact O-OG1 3.41Å; T804-R806 PolarHBondContact O-N 3.5Å; T804-R806 WeakPolarHBondContact OG1-CB 3.29Å; T804-R806 PolarHBondContact OG1-N 3.19Å; T804-R811 PolarHBondContact O-NH1 3.24Å; T804-R811 PolarHBondContact O-NH2 2.77Å |
| 805 | P | 73.9 | Confident | 76.1 | Confident | 65 Ų | 65 | 41.4 Ų | 41.4 | 42% | 0.422 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -55.9 | -30.5 | 165 | 17.1 | -30.8 | 0 | 0 | 0 | 114.1 | G807 A808 | P805-G807 VanDerWaalsContact C-N 3.27Å; P805-G807 PolarHBondContact O-N 3Å; P805-A808 VanDerWaalsContact O-CB 3.24Å; P805-A808 WeakPolarHBondContact O-CB 2.99Å; P805-A808 PolarHBondContact O-N 3.34Å; P805-A808 VanDerWaalsContact O-N 3.12Å |
| 806 | R | 74.8 | Confident | 76.8 | Confident | 132 Ų | 132 | 37.1 Ų | 37.1 | 50% | 0.498 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -67.6 | -23.4 | -175.7 | -64.1 | 180 | 173.6 | 162.4 | -0.5 | 113.7 | L801 T804 | L801-R806 HydrophobicContact CD2-CB 3.89Å; T804-R806 PolarHBondContact O-N 3.5Å; T804-R806 WeakPolarHBondContact OG1-CB 3.29Å; T804-R806 PolarHBondContact OG1-N 3.19Å |
| 807 | G | 73.7 | Confident | 77.3 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -89.9 | 3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L801 P805 S809 C810 R811 | L801-G807 VanDerWaalsContact O-CA 3.25Å; L801-G807 WeakPolarHBondContact O-CA 3.45Å; L801-G807 PolarHBondContact O-N 2.89Å; P805-G807 VanDerWaalsContact C-N 3.27Å; P805-G807 PolarHBondContact O-N 3Å; G807-S809 VanDerWaalsContact C-N 3.31Å; G807-S809 PolarHBondContact O-N 3.41Å; G807-S809 VanDerWaalsContact O-N 3.14Å; G807-C810 CarbonylContact O-C 3.5Å; G807-C810 PolarHBondContact O-N 3.28Å; G807-R811 VanDerWaalsContact O-CG 3.3Å; G807-R811 WeakPolarHBondContact O-CG 3.38Å; G807-R811 PolarHBondContact O-N 2.91Å |
| 808 | A | 75.2 | Confident | 77.9 | Confident | 48 Ų | 48 | 31.5 Ų | 31.5 | 40% | 0.397 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -38.3 | -165.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | P805 | P805-A808 VanDerWaalsContact O-CB 3.24Å; P805-A808 WeakPolarHBondContact O-CB 2.99Å; P805-A808 PolarHBondContact O-N 3.34Å; P805-A808 VanDerWaalsContact O-N 3.12Å |
| 809 | S | 69.4 | Low | 78.5 | Confident | 55 Ų | 55 | 30.1 Ų | 30.1 | 39% | 0.385 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -11.1 | 176.8 | 46 | 0 | 0 | 0 | 0 | 114.8 | T765 P772 G807 | T765-S809 WeakPolarHBondContact CB-OG 3.16Å; T765-S809 WeakPolarHBondContact CG2-OG 3.21Å; T765-S809 WeakPolarHBondContact OG1-CB 3.42Å; T765-S809 PolarHBondContact OG1-OG 3.3Å; P772-S809 WeakPolarHBondContact CG-O 3.19Å; G807-S809 VanDerWaalsContact C-N 3.31Å; G807-S809 PolarHBondContact O-N 3.41Å; G807-S809 VanDerWaalsContact O-N 3.14Å |
| 810 | C | 75.5 | Confident | 78.8 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127 | 20.8 | -176.3 | 61.8 | 0 | 0 | 0 | 0 | 113.9 | P772 L775 G807 H812 A813 C814 | P772-C810 HydrophobicContact CB-CB 3.95Å; P772-C810 HydrophobicContact CG-CB 4.03Å; L775-C810 HydrophobicContact CD2-CB 4.12Å; G807-C810 CarbonylContact O-C 3.5Å; G807-C810 PolarHBondContact O-N 3.28Å; C810-H812 PolarHBondContact O-N 3.17Å; C810-A813 HydrophobicContact CB-CB 4.48Å; C810-A813 WeakPolarHBondContact O-CB 3.44Å; C810-A813 PolarHBondContact O-N 3.16Å; C810-C814 PolarHBondContact O-N 3.43Å; C810-C814 PolarHBondContact O-SG 2.61Å; C810-C814 VanDerWaalsContact SG-SG 3.66Å |
| 811 | R | 82.9 | Confident | 79.1 | Confident | 12 Ų | 12 | 24.1 Ų | 24.1 | 5% | 0.045 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -53.4 | -47.5 | -177.6 | -65.9 | -168.4 | -178.4 | -64.7 | -17 | 113.3 | L802 T804 G807 C814 A815 H855 | L802-R811 PolarHBondContact O-NH1 2.86Å; T804-R811 PolarHBondContact O-NH1 3.24Å; T804-R811 PolarHBondContact O-NH2 2.77Å; G807-R811 VanDerWaalsContact O-CG 3.3Å; G807-R811 WeakPolarHBondContact O-CG 3.38Å; G807-R811 PolarHBondContact O-N 2.91Å; R811-C814 PolarHBondContact O-N 3.31Å; R811-A815 VanDerWaalsContact O-CB 3.23Å; R811-A815 WeakPolarHBondContact O-CB 3.41Å; R811-A815 PolarHBondContact O-N 3.24Å; R811-H855 PolarHBondContact NH1-O 2.92Å; R811-H855 VanDerWaalsContact NH1-O 3.14Å; R811-H855 PolarHBondContact NH2-ND1 3.19Å |
| 812 | H | 83 | Confident | 79.5 | Confident | 70 Ų | 70 | 24.3 Ų | 24.3 | 32% | 0.324 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -56.3 | -52.1 | 177.1 | -78.7 | -82.1 | 0 | 0 | 0 | 111.7 | C810 C814 A815 S816 Y866 | C810-H812 PolarHBondContact O-N 3.17Å; H812-C814 PolarHBondContact O-N 3.34Å; H812-A815 PolarHBondContact O-N 3.01Å; H812-S816 WeakPolarHBondContact O-CB 3.49Å; H812-S816 PolarHBondContact O-N 3.1Å; H812-Y866 WeakPolarHBondContact CB-OH 3.43Å; H812-Y866 AromaticContact ND1-CE2 3.62Å; H812-Y866 AromaticContact ND1-CZ 3.71Å; H812-Y866 PolarHBondContact ND1-OH 3.36Å |
| 813 | A | 77.8 | Confident | 79.7 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.1 | -48.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P772 L775 E776 C810 S816 V817 | P772-A813 HydrophobicContact CB-CB 4.27Å; P772-A813 WeakPolarHBondContact O-CB 3.49Å; L775-A813 HydrophobicContact CB-CB 4.41Å; L775-A813 HydrophobicContact CD2-CB 3.99Å; L775-A813 HydrophobicContact CG-CB 4.28Å; E776-A813 HydrophobicContact CB-CB 3.76Å; E776-A813 HydrophobicContact CG-CB 4.39Å; C810-A813 HydrophobicContact CB-CB 4.48Å; C810-A813 WeakPolarHBondContact O-CB 3.44Å; C810-A813 PolarHBondContact O-N 3.16Å; A813-S816 PolarHBondContact O-N 3.05Å; A813-V817 WeakPolarHBondContact O-CB 3.44Å; A813-V817 VanDerWaalsContact O-CG2 3.24Å; A813-V817 WeakPolarHBondContact O-CG2 3.24Å; A813-V817 PolarHBondContact O-N 3.47Å |
| 814 | C | 80.6 | Confident | 79.8 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.2 | -43.5 | 179 | -66.2 | 0 | 0 | 0 | 0 | 112.5 | M797 L802 C810 R811 H812 Y818 | M797-C814 WeakPolarHBondContact CE-O 3.19Å; M797-C814 HydrophobicContact CG-CB 4.21Å; M797-C814 HydrophobicContact SD-CB 4.32Å; L802-C814 HydrophobicContact CB-CB 4.33Å; L802-C814 HydrophobicContact CD1-CB 4.29Å; C810-C814 PolarHBondContact O-N 3.43Å; C810-C814 PolarHBondContact O-SG 2.61Å; C810-C814 VanDerWaalsContact SG-SG 3.66Å; R811-C814 PolarHBondContact O-N 3.31Å; H812-C814 PolarHBondContact O-N 3.34Å; C814-Y818 WeakPolarHBondContact O-CB 3.39Å; C814-Y818 PolarHBondContact O-N 3.37Å |
| 815 | A | 84.8 | Confident | 79.8 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.1 | -41.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L802 R811 H812 S819 M862 Y866 | L802-A815 HydrophobicContact CD1-CB 3.87Å; R811-A815 VanDerWaalsContact O-CB 3.23Å; R811-A815 WeakPolarHBondContact O-CB 3.41Å; R811-A815 PolarHBondContact O-N 3.24Å; H812-A815 PolarHBondContact O-N 3.01Å; A815-S819 WeakPolarHBondContact O-CB 3.44Å; A815-S819 PolarHBondContact O-N 3.48Å; A815-S819 PolarHBondContact O-OG 2.74Å; A815-M862 HydrophobicContact CB-CB 4.2Å; A815-M862 HydrophobicContact CB-CG 3.7Å; A815-Y866 HydrophobicContact CB-CD2 3.76Å; A815-Y866 HydrophobicContact CB-CE2 4.19Å; A815-Y866 HydrophobicContact CB-CG 4.16Å |
| 816 | S | 84.1 | Confident | 80.2 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.7 | -53 | 176.8 | -173.5 | 0 | 0 | 0 | 0 | 111.9 | E776 H812 A813 S819 V820 Y866 R870 | E776-S816 WeakPolarHBondContact OE1-CB 3.28Å; E776-S816 PolarHBondContact OE1-OG 2.84Å; H812-S816 WeakPolarHBondContact O-CB 3.49Å; H812-S816 PolarHBondContact O-N 3.1Å; A813-S816 PolarHBondContact O-N 3.05Å; S816-S819 PolarHBondContact O-N 3.06Å; S816-S819 PolarHBondContact O-OG 2.95Å; S816-S819 VanDerWaalsContact O-OG 3.04Å; S816-V820 WeakPolarHBondContact O-CG2 3.43Å; S816-V820 PolarHBondContact O-N 3.1Å; S816-V820 VanDerWaalsContact O-N 3.13Å; S816-Y866 VanDerWaalsContact CA-CD1 3.49Å; S816-R870 PolarHBondContact O-NH1 3.23Å; S816-R870 PolarHBondContact O-NH2 3.33Å; S816-R870 PolarHBondContact OG-NH2 2.9Å |
| 817 | V | 80.6 | Confident | 80.5 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.3 | -46.7 | 178.3 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | L779 V780 F794 M797 A813 S819 V820 V821 | L779-V817 HydrophobicContact CB-CB 4.34Å; L779-V817 HydrophobicContact CB-CG1 3.62Å; L779-V817 HydrophobicContact CB-CG2 3.67Å; L779-V817 HydrophobicContact CD1-CG1 3.93Å; L779-V817 HydrophobicContact CD1-CG2 4.28Å; L779-V817 HydrophobicContact CG-CG1 4.44Å; V780-V817 HydrophobicContact CG2-CB 4.48Å; V780-V817 HydrophobicContact CG2-CG2 3.77Å; F794-V817 HydrophobicContact CD1-CG1 4.02Å; F794-V817 HydrophobicContact CE1-CG1 3.66Å; M797-V817 HydrophobicContact CE-CB 3.83Å; M797-V817 HydrophobicContact CE-CG1 3.71Å; M797-V817 HydrophobicContact SD-CB 4.16Å; M797-V817 HydrophobicContact SD-CG1 4.08Å; A813-V817 WeakPolarHBondContact O-CB 3.44Å; A813-V817 VanDerWaalsContact O-CG2 3.24Å; A813-V817 WeakPolarHBondContact O-CG2 3.24Å; A813-V817 PolarHBondContact O-N 3.47Å; V817-S819 VanDerWaalsContact C-N 3.28Å; V817-S819 PolarHBondContact O-N 2.97Å; V817-V820 PolarHBondContact O-N 3.31Å; V817-V821 HydrophobicContact CG1-CG2 4.43Å; V817-V821 WeakPolarHBondContact O-CG2 3.49Å; V817-V821 PolarHBondContact O-N 3.21Å |
| 818 | Y | 84.2 | Confident | 80.8 | Confident | 29 Ų | 29 | 27.1 Ų | 27.1 | 11% | 0.114 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57 | -42.5 | 179.7 | 178.5 | -97.3 | 0 | 0 | 0 | 111.9 | N798 L802 C814 V820 V821 V822 T834 M838 | N798-Y818 HydrophobicContact CB-CD2 3.9Å; N798-Y818 HydrophobicContact CB-CE2 3.8Å; L802-Y818 HydrophobicContact CD2-CG 4.5Å; C814-Y818 WeakPolarHBondContact O-CB 3.39Å; C814-Y818 PolarHBondContact O-N 3.37Å; Y818-V820 VanDerWaalsContact C-N 3.35Å; Y818-V820 PolarHBondContact O-N 3.31Å; Y818-V821 WeakPolarHBondContact O-CB 3.39Å; Y818-V821 PolarHBondContact O-N 2.81Å; Y818-V822 HydrophobicContact CD1-CG2 4.12Å; Y818-V822 HydrophobicContact CE1-CG2 3.58Å; Y818-V822 HydrophobicContact CE2-CG2 4.08Å; Y818-V822 WeakPolarHBondContact O-CG2 2.99Å; Y818-V822 PolarHBondContact O-N 3.34Å; Y818-T834 WeakPolarHBondContact OH-CG2 3.49Å; Y818-M838 HydrophobicContact CD1-CE 3.82Å; Y818-M838 HydrophobicContact CE1-CE 3.24Å; Y818-M838 HydrophobicContact CE1-SD 4.38Å |
| 819 | S | 85.5 | Confident | 81 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -78.8 | -9.4 | 178.3 | 54 | 0 | 0 | 0 | 0 | 114.7 | A815 S816 V817 M823 Y866 R870 | A815-S819 WeakPolarHBondContact O-CB 3.44Å; A815-S819 PolarHBondContact O-N 3.48Å; A815-S819 PolarHBondContact O-OG 2.74Å; S816-S819 PolarHBondContact O-N 3.06Å; S816-S819 PolarHBondContact O-OG 2.95Å; S816-S819 VanDerWaalsContact O-OG 3.04Å; V817-S819 VanDerWaalsContact C-N 3.28Å; V817-S819 PolarHBondContact O-N 2.97Å; S819-M823 WeakPolarHBondContact O-CB 3.35Å; S819-M823 WeakPolarHBondContact O-CG 3.32Å; S819-Y866 WeakPolarHBondContact OG-CB 3.43Å; S819-R870 PolarHBondContact O-NH1 2.94Å; S819-R870 PolarHBondContact OG-NH1 3.33Å |
| 820 | V | 82.3 | Confident | 81.7 | Confident | 19 Ų | 19 | 31.8 Ų | 31.8 | 12% | 0.115 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -76.9 | -48.4 | 161.1 | -174.4 | 0 | 0 | 0 | 0 | 108.8 | V780 T783 S816 V817 Y818 V822 M823 E824 R870 | V780-V820 HydrophobicContact CB-CG2 4.37Å; V780-V820 HydrophobicContact CG1-CG2 3.92Å; V780-V820 HydrophobicContact CG2-CG2 3.88Å; T783-V820 HydrophobicContact CG2-CB 4.2Å; T783-V820 HydrophobicContact CG2-CG1 3.68Å; S816-V820 WeakPolarHBondContact O-CG2 3.43Å; S816-V820 PolarHBondContact O-N 3.1Å; S816-V820 VanDerWaalsContact O-N 3.13Å; V817-V820 PolarHBondContact O-N 3.31Å; Y818-V820 VanDerWaalsContact C-N 3.35Å; Y818-V820 PolarHBondContact O-N 3.31Å; V820-V822 PolarHBondContact O-N 3.13Å; V820-M823 PolarHBondContact O-N 3.11Å; V820-M823 VanDerWaalsContact O-N 3.11Å; V820-E824 HydrophobicContact CG1-CG 4.43Å; V820-E824 PolarHBondContact O-N 3.18Å; V820-R870 VanDerWaalsContact CG2-CZ 3.48Å; V820-R870 VanDerWaalsContact CG2-NH1 3.29Å; V820-R870 VanDerWaalsContact N-NH1 3.11Å |
| 821 | V | 81.2 | Confident | 82.2 | Confident | 12 Ų | 12 | 31.8 Ų | 31.8 | 7% | 0.073 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -54.8 | -52.6 | -178.8 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | T783 I787 F794 V817 Y818 M823 E824 T825 | T783-V821 HydrophobicContact CG2-CB 4.45Å; T783-V821 HydrophobicContact CG2-CG2 3.73Å; I787-V821 HydrophobicContact CG1-CG1 4.26Å; F794-V821 HydrophobicContact CB-CG1 4.11Å; F794-V821 HydrophobicContact CB-CG2 4.29Å; F794-V821 HydrophobicContact CD1-CG2 3.58Å; F794-V821 HydrophobicContact CD2-CB 4.42Å; F794-V821 HydrophobicContact CD2-CG1 3.84Å; F794-V821 HydrophobicContact CD2-CG2 3.65Å; F794-V821 HydrophobicContact CE1-CG2 3.62Å; F794-V821 HydrophobicContact CE2-CG1 4.43Å; F794-V821 HydrophobicContact CE2-CG2 3.69Å; F794-V821 HydrophobicContact CG-CB 4.36Å; F794-V821 HydrophobicContact CG-CG1 4.03Å; F794-V821 HydrophobicContact CG-CG2 3.57Å; F794-V821 HydrophobicContact CZ-CG2 3.66Å; V817-V821 HydrophobicContact CG1-CG2 4.43Å; V817-V821 WeakPolarHBondContact O-CG2 3.49Å; V817-V821 PolarHBondContact O-N 3.21Å; Y818-V821 WeakPolarHBondContact O-CB 3.39Å; Y818-V821 PolarHBondContact O-N 2.81Å; V821-M823 PolarHBondContact O-N 2.96Å; V821-E824 PolarHBondContact O-N 3.29Å; V821-E824 VanDerWaalsContact O-N 3.13Å; V821-T825 HydrophobicContact CG1-CG2 4.18Å; V821-T825 WeakPolarHBondContact O-CB 3.49Å; V821-T825 WeakPolarHBondContact O-CG2 3.46Å; V821-T825 PolarHBondContact O-N 3.49Å; V821-T825 PolarHBondContact O-OG1 2.99Å |
| 822 | V | 83.8 | Confident | 82.5 | Confident | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.024 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.5 | -44 | 177.5 | 171.2 | 0 | 0 | 0 | 0 | 112 | Y818 V820 E824 T825 E826 A831 T834 L867 | Y818-V822 HydrophobicContact CD1-CG2 4.12Å; Y818-V822 HydrophobicContact CE1-CG2 3.58Å; Y818-V822 HydrophobicContact CE2-CG2 4.08Å; Y818-V822 WeakPolarHBondContact O-CG2 2.99Å; Y818-V822 PolarHBondContact O-N 3.34Å; V820-V822 PolarHBondContact O-N 3.13Å; V822-E824 PolarHBondContact O-N 2.95Å; V822-T825 PolarHBondContact O-N 3.05Å; V822-E826 HydrophobicContact CG1-CB 4.4Å; V822-E826 HydrophobicContact CG1-CG 4.3Å; V822-E826 WeakPolarHBondContact O-CB 3.27Å; V822-E826 PolarHBondContact O-N 3.17Å; V822-A831 HydrophobicContact CG1-CB 3.63Å; V822-T834 HydrophobicContact CG1-CG2 4.39Å; V822-T834 HydrophobicContact CG2-CG2 4.4Å; V822-L867 HydrophobicContact CB-CD1 4.11Å; V822-L867 HydrophobicContact CG1-CD1 3.76Å; V822-L867 HydrophobicContact CG1-CD2 3.97Å |
| 823 | M | 83.8 | Confident | 82.6 | Confident | 44 Ų | 44 | 33.9 Ų | 33.9 | 22% | 0.217 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.5 | -20.1 | 178.9 | -75.8 | -71.9 | -66.7 | 0 | 0 | 114 | S819 V820 V821 L867 R870 L871 A874 Y875 | S819-M823 WeakPolarHBondContact O-CB 3.35Å; S819-M823 WeakPolarHBondContact O-CG 3.32Å; V820-M823 PolarHBondContact O-N 3.11Å; V820-M823 VanDerWaalsContact O-N 3.11Å; V821-M823 PolarHBondContact O-N 2.96Å; M823-L867 HydrophobicContact CG-CD1 4Å; M823-L867 HydrophobicContact SD-CD1 4.35Å; M823-R870 HydrophobicContact CE-CB 4.29Å; M823-R870 HydrophobicContact CG-CB 4.06Å; M823-R870 HydrophobicContact SD-CB 4.41Å; M823-L871 HydrophobicContact CE-CD2 4.41Å; M823-L871 HydrophobicContact SD-CD2 3.59Å; M823-L871 VanDerWaalsContact SD-CD2 3.59Å; M823-L871 HydrophobicContact SD-CG 3.74Å; M823-A874 HydrophobicContact CE-CB 3.82Å; M823-Y875 HydrophobicContact CE-CE2 4.14Å |
| 824 | E | 78.6 | Confident | 83 | Confident | 85 Ų | 85 | 35.3 Ų | 35.3 | 40% | 0.397 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -100.8 | -23.7 | 174.9 | -64.7 | -155.4 | 134.4 | 0 | 0 | 113.9 | K784 I787 V820 V821 V822 | K784-E824 WeakPolarHBondContact CE-OE1 3.13Å; K784-E824 WeakPolarHBondContact CG-OE2 3.46Å; K784-E824 PolarHBondContact N-OE2 3.25Å; K784-E824 IonicContact NZ-OE1 3.78Å; I787-E824 HydrophobicContact CD1-CB 3.63Å; V820-E824 HydrophobicContact CG1-CG 4.43Å; V820-E824 PolarHBondContact O-N 3.18Å; V821-E824 PolarHBondContact O-N 3.29Å; V821-E824 VanDerWaalsContact O-N 3.13Å; V822-E824 PolarHBondContact O-N 2.95Å |
| 825 | T | 79.2 | Confident | 83.4 | Confident | 52 Ų | 52 | 35.3 Ų | 35.3 | 32% | 0.319 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -93.9 | -26.8 | 179.2 | 57.3 | 0 | 0 | 0 | 0 | 115.1 | I787 V821 V822 | I787-T825 HydrophobicContact CB-CG2 4.47Å; I787-T825 HydrophobicContact CD1-CG2 3.83Å; I787-T825 HydrophobicContact CG1-CG2 3.93Å; I787-T825 HydrophobicContact CG2-CG2 3.67Å; V821-T825 HydrophobicContact CG1-CG2 4.18Å; V821-T825 WeakPolarHBondContact O-CB 3.49Å; V821-T825 WeakPolarHBondContact O-CG2 3.46Å; V821-T825 PolarHBondContact O-N 3.49Å; V821-T825 PolarHBondContact O-OG1 2.99Å; V822-T825 PolarHBondContact O-N 3.05Å |
| 826 | E | 83.1 | Confident | 83.6 | Confident | 62 Ų | 62 | 38 Ų | 38 | 29% | 0.29 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -112.6 | 150.4 | -172.1 | -60.3 | -169.9 | 173.2 | 0 | 0 | 111.9 | V822 Q830 A831 T834 | V822-E826 HydrophobicContact CG1-CB 4.4Å; V822-E826 HydrophobicContact CG1-CG 4.3Å; V822-E826 WeakPolarHBondContact O-CB 3.27Å; V822-E826 PolarHBondContact O-N 3.17Å; E826-Q830 HydrophobicContact CB-CB 3.96Å; E826-A831 HydrophobicContact CB-CB 4.34Å; E826-A831 WeakPolarHBondContact OE2-CA 3.32Å; E826-A831 PolarHBondContact OE2-N 3Å; E826-T834 PolarHBondContact OE2-OG1 3.49Å |
| 827 | A | 80.4 | Confident | 83.7 | Confident | 42 Ų | 42 | 39.9 Ų | 39.9 | 35% | 0.347 | 22% | 0.221 | S | C | . | . | trans | -63.3 | 150.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | T829 Q830 A831 | A827-T829 PolarHBondContact O-N 3.42Å; A827-T829 VanDerWaalsContact O-N 3.09Å; A827-Q830 HydrophobicContact CB-CG 4.28Å; A827-Q830 CarbonylContact O-C 3.53Å; A827-Q830 WeakPolarHBondContact O-CA 3.06Å; A827-Q830 WeakPolarHBondContact O-CB 3.42Å; A827-Q830 PolarHBondContact O-N 2.98Å; A827-A831 PolarHBondContact O-N 3.24Å | ||
| 828 | P | 79.9 | Confident | 84.1 | Confident | 34 Ų | 34 | 40.3 Ų | 40.3 | 22% | 0.221 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.9 | -24 | -174 | 26 | -36.7 | 0 | 0 | 0 | 114 | L832 L871 Y875 L911 | P828-L832 VanDerWaalsContact O-CB 3.23Å; P828-L832 WeakPolarHBondContact O-CB 3.22Å; P828-L832 PolarHBondContact O-N 3.16Å; P828-L871 HydrophobicContact CB-CD2 4.13Å; P828-Y875 HydrophobicContact CB-CD2 4.06Å; P828-Y875 HydrophobicContact CB-CE1 4.28Å; P828-Y875 HydrophobicContact CB-CE2 3.38Å; P828-Y875 HydrophobicContact CG-CE1 4.15Å; P828-Y875 HydrophobicContact CG-CE2 4.12Å; P828-L911 HydrophobicContact CB-CD2 3.96Å; P828-L911 HydrophobicContact CG-CD2 4Å |
| 829 | T | 81.3 | Confident | 84.1 | Confident | 90 Ų | 90 | 39.2 Ų | 39.2 | 55% | 0.552 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -72.7 | -29.6 | 170.2 | 46.5 | 0 | 0 | 0 | 0 | 113.2 | A827 Q833 L911 | A827-T829 PolarHBondContact O-N 3.42Å; A827-T829 VanDerWaalsContact O-N 3.09Å; T829-Q833 PolarHBondContact O-N 3.07Å; T829-L911 HydrophobicContact CG2-CD1 4.06Å |
| 830 | Q | 83.1 | Confident | 84 | Confident | 111 Ų | 111 | 43.4 Ų | 43.4 | 52% | 0.519 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -77.3 | -47.8 | 173.1 | -68.7 | 169.6 | -39.6 | 0 | 0 | 110.3 | E826 A827 L832 Q833 T834 | E826-Q830 HydrophobicContact CB-CB 3.96Å; A827-Q830 HydrophobicContact CB-CG 4.28Å; A827-Q830 CarbonylContact O-C 3.53Å; A827-Q830 WeakPolarHBondContact O-CA 3.06Å; A827-Q830 WeakPolarHBondContact O-CB 3.42Å; A827-Q830 PolarHBondContact O-N 2.98Å; Q830-L832 PolarHBondContact O-N 3.26Å; Q830-Q833 CarbonylContact O-C 3.6Å; Q830-Q833 WeakPolarHBondContact O-CA 3.44Å; Q830-Q833 WeakPolarHBondContact O-CB 3.48Å; Q830-Q833 PolarHBondContact O-N 3.13Å; Q830-T834 PolarHBondContact O-N 3.05Å; Q830-T834 PolarHBondContact O-OG1 3.1Å |
| 831 | A | 86.4 | Confident | 84 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -54.8 | -39.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V822 E826 A827 T834 A835 L867 L871 | V822-A831 HydrophobicContact CG1-CB 3.63Å; E826-A831 HydrophobicContact CB-CB 4.34Å; E826-A831 WeakPolarHBondContact OE2-CA 3.32Å; E826-A831 PolarHBondContact OE2-N 3Å; A827-A831 PolarHBondContact O-N 3.24Å; A831-T834 WeakPolarHBondContact O-CB 3.42Å; A831-T834 PolarHBondContact O-N 2.9Å; A831-A835 PolarHBondContact O-N 2.89Å; A831-L867 HydrophobicContact CB-CD1 4.42Å; A831-L867 WeakPolarHBondContact O-CD2 3.38Å; A831-L871 HydrophobicContact CB-CD1 4.4Å; A831-L871 HydrophobicContact CB-CD2 4.13Å |
| 832 | L | 87.9 | Confident | 84.1 | Confident | 7 Ų | 7 | 46.1 Ų | 46.1 | 4% | 0.037 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65 | -37.9 | 172.3 | -178.2 | 61.5 | 0 | 0 | 0 | 112.9 | P828 Q830 T834 A835 K836 L868 L871 L911 D914 I915 T918 | P828-L832 VanDerWaalsContact O-CB 3.23Å; P828-L832 WeakPolarHBondContact O-CB 3.22Å; P828-L832 PolarHBondContact O-N 3.16Å; Q830-L832 PolarHBondContact O-N 3.26Å; L832-T834 VanDerWaalsContact C-N 3.35Å; L832-A835 PolarHBondContact O-N 3.25Å; L832-K836 PolarHBondContact O-N 3.24Å; L832-L868 HydrophobicContact CD1-CD2 4.06Å; L832-L871 HydrophobicContact CB-CD1 4.16Å; L832-L871 HydrophobicContact CD1-CD1 4.27Å; L832-L911 HydrophobicContact CD2-CD1 3.97Å; L832-D914 HydrophobicContact CD2-CB 3.7Å; L832-I915 HydrophobicContact CD1-CG1 3.96Å; L832-I915 HydrophobicContact CD2-CG1 4.04Å; L832-T918 HydrophobicContact CD1-CG2 3.71Å; L832-T918 VanDerWaalsContact CD1-OG1 3.25Å; L832-T918 WeakPolarHBondContact CD1-OG1 3.44Å; L832-T918 HydrophobicContact CG-CG2 4.38Å |
| 833 | Q | 85.9 | Confident | 83.9 | Confident | 119 Ų | 119 | 47.9 Ų | 47.9 | 56% | 0.556 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -70.5 | -31.6 | 174 | -168.9 | 64.2 | 21.5 | 0 | 0 | 111.9 | T829 Q830 K836 G837 | T829-Q833 PolarHBondContact O-N 3.07Å; Q830-Q833 CarbonylContact O-C 3.6Å; Q830-Q833 WeakPolarHBondContact O-CA 3.44Å; Q830-Q833 WeakPolarHBondContact O-CB 3.48Å; Q830-Q833 PolarHBondContact O-N 3.13Å; Q833-K836 WeakPolarHBondContact O-CB 3Å; Q833-K836 PolarHBondContact O-N 3.41Å; Q833-G837 PolarHBondContact O-N 3.25Å |
| 834 | T | 86.4 | Confident | 83.1 | Confident | 32 Ų | 32 | 49.8 Ų | 49.8 | 20% | 0.196 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.6 | -40.4 | 172.2 | -61.9 | 0 | 0 | 0 | 0 | 110.9 | Y818 V822 E826 Q830 A831 L832 G837 M838 L867 | Y818-T834 WeakPolarHBondContact OH-CG2 3.49Å; V822-T834 HydrophobicContact CG1-CG2 4.39Å; V822-T834 HydrophobicContact CG2-CG2 4.4Å; E826-T834 PolarHBondContact OE2-OG1 3.49Å; Q830-T834 PolarHBondContact O-N 3.05Å; Q830-T834 PolarHBondContact O-OG1 3.1Å; A831-T834 WeakPolarHBondContact O-CB 3.42Å; A831-T834 PolarHBondContact O-N 2.9Å; L832-T834 VanDerWaalsContact C-N 3.35Å; T834-G837 PolarHBondContact O-N 3.49Å; T834-M838 PolarHBondContact O-N 2.8Å; T834-L867 HydrophobicContact CG2-CD2 4.26Å |
| 835 | A | 88.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A831 L832 G837 M838 L839 L867 L868 | A831-A835 PolarHBondContact O-N 2.89Å; L832-A835 PolarHBondContact O-N 3.25Å; A835-G837 VanDerWaalsContact C-N 3.3Å; A835-G837 PolarHBondContact O-N 3Å; A835-M838 PolarHBondContact O-N 3.01Å; A835-L839 PolarHBondContact O-N 2.87Å; A835-L867 HydrophobicContact CB-CD2 3.99Å; A835-L867 HydrophobicContact CB-CG 4.3Å; A835-L868 HydrophobicContact CB-CD2 4.05Å; A835-L868 HydrophobicContact CB-CG 4.12Å |
| 836 | K | 89.1 | Confident | 81.6 | Confident | 56 Ų | 56 | 51.8 Ų | 51.8 | 24% | 0.243 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.6 | -37.8 | 171.7 | -71.5 | 176.1 | 179.8 | 176.9 | 0 | 112.5 | L832 Q833 M838 L839 A840 T918 | L832-K836 PolarHBondContact O-N 3.24Å; Q833-K836 WeakPolarHBondContact O-CB 3Å; Q833-K836 PolarHBondContact O-N 3.41Å; K836-M838 VanDerWaalsContact C-N 3.33Å; K836-M838 PolarHBondContact O-N 3.42Å; K836-L839 PolarHBondContact O-N 3.49Å; K836-A840 WeakPolarHBondContact O-CB 3.37Å; K836-A840 PolarHBondContact O-N 2.82Å; K836-T918 HydrophobicContact CD-CG2 3.94Å; K836-T918 HydrophobicContact CG-CG2 3.51Å |
| 837 | G | 86.3 | Confident | 81 | Confident | 40 Ų | 40 | 50.6 Ų | 50.6 | 41% | 0.412 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.4 | -40.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q833 T834 A835 A840 A841 | Q833-G837 PolarHBondContact O-N 3.25Å; T834-G837 PolarHBondContact O-N 3.49Å; A835-G837 VanDerWaalsContact C-N 3.3Å; A835-G837 PolarHBondContact O-N 3Å; G837-A840 PolarHBondContact O-N 2.81Å; G837-A841 WeakPolarHBondContact O-CB 3.43Å; G837-A841 PolarHBondContact O-N 2.95Å; G837-A841 VanDerWaalsContact O-N 3.1Å |
| 838 | M | 88.6 | Confident | 80.7 | Confident | 9 Ų | 9 | 53.1 Ų | 53.1 | 4% | 0.044 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.1 | -37.9 | 173.8 | -70.2 | -173.5 | 158.6 | 0 | 0 | 112.7 | L802 Y818 T834 A835 K836 A841 M860 A864 | L802-M838 HydrophobicContact CD2-CE 4.15Å; Y818-M838 HydrophobicContact CD1-CE 3.82Å; Y818-M838 HydrophobicContact CE1-CE 3.24Å; Y818-M838 HydrophobicContact CE1-SD 4.38Å; T834-M838 PolarHBondContact O-N 2.8Å; A835-M838 PolarHBondContact O-N 3.01Å; K836-M838 VanDerWaalsContact C-N 3.33Å; K836-M838 PolarHBondContact O-N 3.42Å; M838-A841 PolarHBondContact O-N 3.31Å; M838-M860 HydrophobicContact CB-CB 4.4Å; M838-M860 HydrophobicContact CB-SD 3.96Å; M838-M860 HydrophobicContact CE-CE 4.2Å; M838-M860 HydrophobicContact CG-SD 3.85Å; M838-A864 HydrophobicContact CB-CB 4.26Å |
| 839 | L | 85 | Confident | 80.7 | Confident | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.026 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -70.6 | -40.2 | 175.9 | -64.9 | 173.3 | 0 | 0 | 0 | 112.1 | A835 K836 A841 L842 F861 A864 E921 L922 L925 | A835-L839 PolarHBondContact O-N 2.87Å; K836-L839 PolarHBondContact O-N 3.49Å; L839-A841 PolarHBondContact O-N 2.9Å; L839-L842 HydrophobicContact CD2-CD1 4.18Å; L839-L842 WeakPolarHBondContact O-CB 3.49Å; L839-L842 WeakPolarHBondContact O-CD1 3.49Å; L839-L842 WeakPolarHBondContact O-CG 3.34Å; L839-L842 PolarHBondContact O-N 3.36Å; L839-F861 HydrophobicContact CD2-CD1 4.26Å; L839-F861 HydrophobicContact CD2-CE1 4.04Å; L839-A864 HydrophobicContact CD2-CB 4.24Å; L839-A864 HydrophobicContact CG-CB 4.41Å; L839-E921 HydrophobicContact CD1-CG 4.43Å; L839-L922 HydrophobicContact CD1-CB 3.89Å; L839-L922 HydrophobicContact CD2-CB 3.97Å; L839-L922 HydrophobicContact CD2-CD1 4.13Å; L839-L922 HydrophobicContact CD2-CG 3.98Å; L839-L925 HydrophobicContact CB-CD1 3.89Å; L839-L925 HydrophobicContact CD2-CD1 4.18Å; L839-L925 HydrophobicContact CG-CD1 4.45Å |
| 840 | A | 83.8 | Confident | 80.6 | Confident | 89 Ų | 89 | 50.9 Ų | 50.9 | 74% | 0.736 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -69.7 | -14.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K836 G837 L842 | K836-A840 WeakPolarHBondContact O-CB 3.37Å; K836-A840 PolarHBondContact O-N 2.82Å; G837-A840 PolarHBondContact O-N 2.81Å; A840-L842 VanDerWaalsContact C-N 3.33Å |
| 841 | A | 81.9 | Confident | 80.4 | Confident | 65 Ų | 65 | 47.1 Ų | 47.1 | 54% | 0.537 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 0.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G837 M838 L839 M860 | G837-A841 WeakPolarHBondContact O-CB 3.43Å; G837-A841 PolarHBondContact O-N 2.95Å; G837-A841 VanDerWaalsContact O-N 3.1Å; M838-A841 PolarHBondContact O-N 3.31Å; L839-A841 PolarHBondContact O-N 2.9Å; A841-M860 HydrophobicContact CB-SD 4.35Å |
| 842 | L | 82.2 | Confident | 80.2 | Confident | 22 Ų | 22 | 54 Ų | 54 | 12% | 0.115 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -75.7 | 149.3 | 177.7 | -66.9 | 168.8 | 0 | 0 | 0 | 111.9 | L839 A840 V857 M860 F861 L925 F929 | L839-L842 HydrophobicContact CD2-CD1 4.18Å; L839-L842 WeakPolarHBondContact O-CB 3.49Å; L839-L842 WeakPolarHBondContact O-CD1 3.49Å; L839-L842 WeakPolarHBondContact O-CG 3.34Å; L839-L842 PolarHBondContact O-N 3.36Å; A840-L842 VanDerWaalsContact C-N 3.33Å; L842-V857 HydrophobicContact CD2-CB 4.38Å; L842-V857 HydrophobicContact CD2-CG1 4.39Å; L842-V857 HydrophobicContact CD2-CG2 4.06Å; L842-M860 HydrophobicContact CD2-CB 4.01Å; L842-F861 HydrophobicContact CD1-CD1 4.45Å; L842-F861 HydrophobicContact CD1-CD2 4.34Å; L842-F861 HydrophobicContact CD1-CE1 3.74Å; L842-F861 HydrophobicContact CD1-CE2 3.64Å; L842-F861 HydrophobicContact CD1-CZ 3.31Å; L842-F861 HydrophobicContact CD2-CD2 3.94Å; L842-F861 HydrophobicContact CD2-CE2 3.73Å; L842-F861 HydrophobicContact CD2-CZ 4.29Å; L842-F861 HydrophobicContact CG-CE2 4.36Å; L842-F861 HydrophobicContact CG-CZ 4.45Å; L842-L925 HydrophobicContact CD1-CB 4.41Å; L842-L925 HydrophobicContact CD1-CD1 4.3Å; L842-F929 HydrophobicContact CB-CE2 4.47Å; L842-F929 HydrophobicContact CB-CZ 4.34Å; L842-F929 HydrophobicContact CD1-CE2 4.33Å |
| 843 | P | 79.7 | Confident | 79.9 | Confident | 41 Ų | 41 | 55.2 Ų | 55.2 | 27% | 0.266 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 144.4 | 174 | -23.8 | 34.2 | 0 | 0 | 0 | 112.8 | S847 V857 F954 | P843-S847 WeakPolarHBondContact CB-OG 3.35Å; P843-V857 HydrophobicContact CG-CG2 4Å; P843-F954 HydrophobicContact CB-CE1 4.29Å; P843-F954 WeakPolarHBondContact O-CZ 3.46Å |
| 844 | S | 68.4 | Low | 79.9 | Confident | 85 Ų | 85 | 49.7 Ų | 49.7 | 59% | 0.594 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -70.7 | 146.9 | 176.7 | 50 | 0 | 0 | 0 | 0 | 112.3 | S847 F954 | S844-S847 WeakPolarHBondContact O-CB 3.38Å; S844-S847 PolarHBondContact O-N 2.94Å; S844-S847 PolarHBondContact O-OG 3.44Å; S844-F954 WeakPolarHBondContact O-CE1 3.28Å |
| 845 | P | 61.1 | Low | 79.9 | Confident | 107 Ų | 107 | 50.3 Ų | 50.3 | 70% | 0.695 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 139.3 | 178 | 24 | -33.9 | 0 | 0 | 0 | 111.6 | F954 | P845-F954 HydrophobicContact CB-CE2 4.33Å; P845-F954 HydrophobicContact CB-CZ 4.25Å |
| 846 | G | 64.6 | Low | 79.7 | Confident | 71 Ų | 71 | 52 Ų | 52 | 73% | 0.732 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94 | -5.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 847 | S | 70.1 | Confident | 79.6 | Confident | 37 Ų | 37 | 49.3 Ų | 49.3 | 26% | 0.259 | 34% | 0.341 | S | S | . | . | trans | -76.6 | 153.9 | 169.7 | 55.5 | 0 | 0 | 0 | 0 | 112.4 | P843 S844 F954 | P843-S847 WeakPolarHBondContact CB-OG 3.35Å; S844-S847 WeakPolarHBondContact O-CB 3.38Å; S844-S847 PolarHBondContact O-N 2.94Å; S844-S847 PolarHBondContact O-OG 3.44Å; S847-F954 WeakPolarHBondContact O-CD1 3.47Å; S847-F954 WeakPolarHBondContact OG-CE1 3.4Å | ||
| 848 | V | 75.2 | Confident | 79.7 | Confident | 96 Ų | 96 | 48 Ų | 48 | 58% | 0.582 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 126.1 | 175 | 177.9 | 0 | 0 | 0 | 0 | 109 | C955 V957 | V848-C955 CarbonylContact C-O 3.59Å; V848-C955 WeakPolarHBondContact CA-O 3.29Å; V848-V957 HydrophobicContact CG1-CG2 3.77Å |
| 849 | I | 78.9 | Confident | 79.6 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 108.2 | -175.9 | -58.3 | 171.6 | 0 | 0 | 0 | 109.9 | F929 F954 C955 Y956 V957 | I849-F929 HydrophobicContact CD1-CD1 3.53Å; I849-F929 HydrophobicContact CD1-CE1 3.62Å; I849-F954 HydrophobicContact CD1-CB 3.62Å; I849-F954 HydrophobicContact CD1-CD1 3.64Å; I849-F954 HydrophobicContact CD1-CE1 4.41Å; I849-F954 HydrophobicContact CD1-CG 3.77Å; I849-F954 HydrophobicContact CG1-CB 4.3Å; I849-F954 HydrophobicContact CG1-CD1 3.92Å; I849-F954 HydrophobicContact CG1-CG 4.45Å; I849-C955 PolarHBondContact N-O 3.3Å; I849-Y956 HydrophobicContact CB-CD1 3.83Å; I849-Y956 HydrophobicContact CB-CE1 3.89Å; I849-Y956 HydrophobicContact CB-CG 4.38Å; I849-Y956 HydrophobicContact CD1-CD1 4.36Å; I849-Y956 HydrophobicContact CD1-CE1 3.73Å; I849-Y956 HydrophobicContact CD1-CE2 3.93Å; I849-Y956 VanDerWaalsContact CD1-CZ 3.49Å; I849-Y956 HydrophobicContact CG1-CE1 4.43Å; I849-Y956 HydrophobicContact CG2-CD1 3.83Å; I849-Y956 HydrophobicContact CG2-CE1 3.64Å; I849-V957 WeakPolarHBondContact O-CG2 3.37Å; I849-V957 PolarHBondContact O-N 2.83Å |
| 850 | D | 80.1 | Confident | 79.9 | Confident | 76 Ų | 76 | 48.4 Ų | 48.4 | 41% | 0.406 | 33% | 0.326 | S | S | . | . | trans | -83.6 | -173.7 | 170.7 | 71.3 | 13.2 | 0 | 0 | 0 | 112.3 | E852 S853 S854 V957 | D850-E852 PolarHBondContact OD1-N 3.46Å; D850-E852 VanDerWaalsContact OD1-N 3.08Å; D850-S853 PolarHBondContact N-OG 3.28Å; D850-S853 PolarHBondContact O-OG 3.41Å; D850-S853 VanDerWaalsContact OD1-CB 3.3Å; D850-S853 WeakPolarHBondContact OD1-CB 3.18Å; D850-S853 PolarHBondContact OD1-N 3.18Å; D850-S853 PolarHBondContact OD1-OG 3.04Å; D850-S854 WeakPolarHBondContact O-CB 3.49Å; D850-S854 PolarHBondContact O-N 3.08Å; D850-V957 HydrophobicContact CB-CG2 4.13Å | ||
| 851 | G | 79.3 | Confident | 80.2 | Confident | 33 Ų | 33 | 44.3 Ų | 44.3 | 34% | 0.34 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.9 | -33.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | S854 H855 | G851-S854 WeakPolarHBondContact O-CB 3.36Å; G851-H855 PolarHBondContact O-CD2 3.11Å; G851-H855 PolarHBondContact O-N 3.44Å |
| 852 | E | 80.3 | Confident | 80.5 | Confident | 145 Ų | 145 | 41.3 Ų | 41.3 | 68% | 0.678 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -82 | -46.7 | -176 | -62.1 | -163.2 | 163.6 | 0 | 0 | 111.2 | D850 S854 H855 A856 | D850-E852 PolarHBondContact OD1-N 3.46Å; D850-E852 VanDerWaalsContact OD1-N 3.08Å; E852-S854 VanDerWaalsContact C-N 3.28Å; E852-S854 PolarHBondContact O-N 3.31Å; E852-H855 WeakPolarHBondContact O-CA 3.24Å; E852-H855 PolarHBondContact O-N 3.49Å; E852-A856 PolarHBondContact O-N 3.02Å |
| 853 | S | 82.9 | Confident | 80.8 | Confident | 31 Ų | 31 | 40.2 Ų | 40.2 | 22% | 0.217 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.5 | -38.3 | 170.3 | 58.6 | 0 | 0 | 0 | 0 | 111.8 | D850 H855 A856 V857 | D850-S853 PolarHBondContact N-OG 3.28Å; D850-S853 PolarHBondContact O-OG 3.41Å; D850-S853 VanDerWaalsContact OD1-CB 3.3Å; D850-S853 WeakPolarHBondContact OD1-CB 3.18Å; D850-S853 PolarHBondContact OD1-N 3.18Å; D850-S853 PolarHBondContact OD1-OG 3.04Å; S853-H855 VanDerWaalsContact C-N 3.32Å; S853-H855 PolarHBondContact O-N 2.95Å; S853-A856 PolarHBondContact O-N 3.35Å; S853-V857 WeakPolarHBondContact O-CB 3.49Å; S853-V857 VanDerWaalsContact O-CG2 3.28Å; S853-V857 WeakPolarHBondContact O-CG2 3.39Å; S853-V857 PolarHBondContact O-N 3.17Å |
| 854 | S | 85.7 | Confident | 81.3 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -51.8 | -48.3 | 167.6 | 142.8 | 0 | 0 | 0 | 0 | 112 | D850 G851 E852 V857 Q858 V961 | D850-S854 WeakPolarHBondContact O-CB 3.49Å; D850-S854 PolarHBondContact O-N 3.08Å; G851-S854 WeakPolarHBondContact O-CB 3.36Å; E852-S854 VanDerWaalsContact C-N 3.28Å; E852-S854 PolarHBondContact O-N 3.31Å; S854-V857 PolarHBondContact O-N 2.92Å; S854-Q858 WeakPolarHBondContact O-CB 3.29Å; S854-Q858 WeakPolarHBondContact O-CG 3.41Å; S854-Q858 PolarHBondContact O-N 3.42Å; S854-Q858 PolarHBondContact OG-NE2 2.92Å; S854-V961 VanDerWaalsContact CB-CG1 3.44Å |
| 855 | H | 85.9 | Confident | 82.4 | Confident | 45 Ų | 45 | 34.2 Ų | 34.2 | 21% | 0.208 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -72 | -28.5 | -179.3 | -74 | -41.5 | 0 | 0 | 0 | 113.7 | A803 R811 G851 E852 S853 Q858 G859 | A803-H855 CarbonylContact O-C 3.56Å; R811-H855 PolarHBondContact NH1-O 2.92Å; R811-H855 VanDerWaalsContact NH1-O 3.14Å; R811-H855 PolarHBondContact NH2-ND1 3.19Å; G851-H855 PolarHBondContact O-CD2 3.11Å; G851-H855 PolarHBondContact O-N 3.44Å; E852-H855 WeakPolarHBondContact O-CA 3.24Å; E852-H855 PolarHBondContact O-N 3.49Å; S853-H855 VanDerWaalsContact C-N 3.32Å; S853-H855 PolarHBondContact O-N 2.95Å; H855-Q858 PolarHBondContact ND1-OE1 3.33Å; H855-G859 PolarHBondContact O-N 3.22Å; H855-G859 VanDerWaalsContact O-N 3.07Å |
| 856 | A | 85.2 | Confident | 83.7 | Confident | 35 Ų | 35 | 29.5 Ų | 29.5 | 29% | 0.289 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -66.5 | -48.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A803 E852 S853 Q858 G859 M860 | A803-A856 VanDerWaalsContact O-CA 3.28Å; A803-A856 WeakPolarHBondContact O-CA 3.45Å; A803-A856 PolarHBondContact O-N 3.42Å; E852-A856 PolarHBondContact O-N 3.02Å; S853-A856 PolarHBondContact O-N 3.35Å; A856-Q858 PolarHBondContact O-N 3.36Å; A856-G859 WeakPolarHBondContact O-CA 3.45Å; A856-G859 PolarHBondContact O-N 3.03Å; A856-M860 WeakPolarHBondContact O-CG 3.38Å; A856-M860 PolarHBondContact O-N 3.41Å |
| 857 | V | 87.2 | Confident | 84.9 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.7 | -47.1 | 175.5 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | L842 P843 S853 S854 G859 M860 F861 F929 | L842-V857 HydrophobicContact CD2-CB 4.38Å; L842-V857 HydrophobicContact CD2-CG1 4.39Å; L842-V857 HydrophobicContact CD2-CG2 4.06Å; P843-V857 HydrophobicContact CG-CG2 4Å; S853-V857 WeakPolarHBondContact O-CB 3.49Å; S853-V857 VanDerWaalsContact O-CG2 3.28Å; S853-V857 WeakPolarHBondContact O-CG2 3.39Å; S853-V857 PolarHBondContact O-N 3.17Å; S854-V857 PolarHBondContact O-N 2.92Å; V857-G859 VanDerWaalsContact C-N 3.26Å; V857-G859 PolarHBondContact O-N 2.76Å; V857-M860 PolarHBondContact O-N 3.2Å; V857-F861 HydrophobicContact CG1-CD2 3.71Å; V857-F861 HydrophobicContact CG1-CE2 3.86Å; V857-F861 WeakPolarHBondContact O-CD2 3.26Å; V857-F861 PolarHBondContact O-N 3.12Å; V857-F861 VanDerWaalsContact O-N 3.08Å; V857-F929 HydrophobicContact CG1-CD1 4.15Å; V857-F929 HydrophobicContact CG1-CE1 4.2Å; V857-F929 HydrophobicContact CG1-CG 4.49Å; V857-F929 HydrophobicContact CG2-CE1 3.95Å; V857-F929 HydrophobicContact CG2-CZ 4.28Å |
| 858 | Q | 88.1 | Confident | 85.9 | Confident | 13 Ų | 13 | 24.4 Ų | 24.4 | 6% | 0.061 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.7 | -38 | 173.6 | -69.9 | 168.2 | 16.1 | 0 | 0 | 112.5 | S854 H855 A856 M862 T965 A968 | S854-Q858 WeakPolarHBondContact O-CB 3.29Å; S854-Q858 WeakPolarHBondContact O-CG 3.41Å; S854-Q858 PolarHBondContact O-N 3.42Å; S854-Q858 PolarHBondContact OG-NE2 2.92Å; H855-Q858 PolarHBondContact ND1-OE1 3.33Å; A856-Q858 PolarHBondContact O-N 3.36Å; Q858-M862 VanDerWaalsContact O-CB 3.28Å; Q858-M862 WeakPolarHBondContact O-CB 3.44Å; Q858-M862 PolarHBondContact O-N 3.09Å; Q858-T965 HydrophobicContact CG-CG2 3.99Å; Q858-A968 HydrophobicContact CB-CB 4.12Å; Q858-A968 HydrophobicContact CG-CB 3.69Å |
| 859 | G | 86.7 | Confident | 86.5 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -71.8 | -50.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L802 H855 A856 V857 M862 G863 | L802-G859 WeakPolarHBondContact O-CA 3.46Å; H855-G859 PolarHBondContact O-N 3.22Å; H855-G859 VanDerWaalsContact O-N 3.07Å; A856-G859 WeakPolarHBondContact O-CA 3.45Å; A856-G859 PolarHBondContact O-N 3.03Å; V857-G859 VanDerWaalsContact C-N 3.26Å; V857-G859 PolarHBondContact O-N 2.76Å; G859-M862 PolarHBondContact O-N 2.96Å; G859-G863 PolarHBondContact O-N 2.69Å |
| 860 | M | 89.7 | Confident | 86.9 | Confident | 23 Ų | 23 | 21.8 Ų | 21.8 | 11% | 0.113 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.4 | -44.6 | -176.8 | -66.4 | -59.6 | 90.3 | 0 | 0 | 112.2 | A803 M838 A841 L842 A856 V857 M862 G863 A864 | A803-M860 HydrophobicContact CB-CE 3.9Å; M838-M860 HydrophobicContact CB-CB 4.4Å; M838-M860 HydrophobicContact CB-SD 3.96Å; M838-M860 HydrophobicContact CE-CE 4.2Å; M838-M860 HydrophobicContact CG-SD 3.85Å; A841-M860 HydrophobicContact CB-SD 4.35Å; L842-M860 HydrophobicContact CD2-CB 4.01Å; A856-M860 WeakPolarHBondContact O-CG 3.38Å; A856-M860 PolarHBondContact O-N 3.41Å; V857-M860 PolarHBondContact O-N 3.2Å; M860-M862 PolarHBondContact O-N 2.97Å; M860-G863 PolarHBondContact O-N 3.13Å; M860-A864 VanDerWaalsContact O-CB 3.26Å; M860-A864 WeakPolarHBondContact O-CB 3.43Å; M860-A864 PolarHBondContact O-N 3.37Å |
| 861 | F | 91.7 | Very high | 87.3 | Confident | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.009 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.9 | -38.3 | 175.7 | -82.5 | -63.6 | 0 | 0 | 0 | 112.6 | L839 L842 V857 A865 L922 L925 M926 F929 L969 | L839-F861 HydrophobicContact CD2-CD1 4.26Å; L839-F861 HydrophobicContact CD2-CE1 4.04Å; L842-F861 HydrophobicContact CD1-CD1 4.45Å; L842-F861 HydrophobicContact CD1-CD2 4.34Å; L842-F861 HydrophobicContact CD1-CE1 3.74Å; L842-F861 HydrophobicContact CD1-CE2 3.64Å; L842-F861 HydrophobicContact CD1-CZ 3.31Å; L842-F861 HydrophobicContact CD2-CD2 3.94Å; L842-F861 HydrophobicContact CD2-CE2 3.73Å; L842-F861 HydrophobicContact CD2-CZ 4.29Å; L842-F861 HydrophobicContact CG-CE2 4.36Å; L842-F861 HydrophobicContact CG-CZ 4.45Å; V857-F861 HydrophobicContact CG1-CD2 3.71Å; V857-F861 HydrophobicContact CG1-CE2 3.86Å; V857-F861 WeakPolarHBondContact O-CD2 3.26Å; V857-F861 PolarHBondContact O-N 3.12Å; V857-F861 VanDerWaalsContact O-N 3.08Å; F861-A865 WeakPolarHBondContact O-CB 3.35Å; F861-A865 PolarHBondContact O-N 3.34Å; F861-L922 HydrophobicContact CD1-CG 4.25Å; F861-L922 HydrophobicContact CE1-CG 4.33Å; F861-L925 HydrophobicContact CE1-CB 4.31Å; F861-L925 HydrophobicContact CZ-CB 4.12Å; F861-M926 HydrophobicContact CD1-CE 4.45Å; F861-M926 HydrophobicContact CD1-CG 3.61Å; F861-M926 HydrophobicContact CD1-SD 4.24Å; F861-M926 HydrophobicContact CE1-CB 4.33Å; F861-M926 HydrophobicContact CE1-CG 3.23Å; F861-M926 HydrophobicContact CE1-SD 4.39Å; F861-M926 HydrophobicContact CE2-CG 4.48Å; F861-M926 HydrophobicContact CG-CG 4.39Å; F861-M926 HydrophobicContact CZ-CB 4.45Å; F861-M926 HydrophobicContact CZ-CG 3.71Å; F861-F929 AromaticContact CE2-CD2 3.58Å; F861-F929 HydrophobicContact CE2-CD2 3.58Å; F861-F929 AromaticContact CE2-CE2 3.79Å; F861-F929 HydrophobicContact CE2-CE2 3.79Å; F861-F929 HydrophobicContact CE2-CG 4.27Å; F861-F929 AromaticContact CZ-CD2 3.78Å; F861-F929 HydrophobicContact CZ-CD2 3.78Å; F861-F929 AromaticContact CZ-CE2 3.96Å; F861-F929 HydrophobicContact CZ-CE2 3.96Å; F861-L969 HydrophobicContact CB-CD2 4.1Å; F861-L969 HydrophobicContact CD1-CD2 4.48Å; F861-L969 HydrophobicContact CD2-CD2 3.34Å; F861-L969 HydrophobicContact CE2-CD2 3.75Å; F861-L969 HydrophobicContact CG-CD2 3.74Å; F861-L969 HydrophobicContact CZ-CD2 4.48Å |
| 862 | M | 88.3 | Confident | 87.5 | Confident | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -69 | -43.5 | 177.3 | -161.8 | 64.2 | 69.5 | 0 | 0 | 111.6 | A815 Q858 G859 M860 A865 Y866 A968 E971 A972 V975 | A815-M862 HydrophobicContact CB-CB 4.2Å; A815-M862 HydrophobicContact CB-CG 3.7Å; Q858-M862 VanDerWaalsContact O-CB 3.28Å; Q858-M862 WeakPolarHBondContact O-CB 3.44Å; Q858-M862 PolarHBondContact O-N 3.09Å; G859-M862 PolarHBondContact O-N 2.96Å; M860-M862 PolarHBondContact O-N 2.97Å; M862-A865 PolarHBondContact O-N 3.14Å; M862-Y866 HydrophobicContact CG-CD2 3.97Å; M862-Y866 HydrophobicContact CG-CE2 3.89Å; M862-Y866 WeakPolarHBondContact O-CD2 3.44Å; M862-Y866 PolarHBondContact O-N 3.15Å; M862-Y866 VanDerWaalsContact O-N 3.11Å; M862-Y866 HydrophobicContact SD-CD2 3.96Å; M862-Y866 HydrophobicContact SD-CE2 3.63Å; M862-A968 WeakPolarHBondContact CE-O 3.43Å; M862-E971 HydrophobicContact CE-CB 3.91Å; M862-A972 HydrophobicContact CE-CB 4.14Å; M862-A972 HydrophobicContact SD-CB 4.13Å; M862-V975 HydrophobicContact SD-CG2 4.32Å |
| 863 | G | 87 | Confident | 87.5 | Confident | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.2 | -48.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G859 M860 L867 | G859-G863 PolarHBondContact O-N 2.69Å; M860-G863 PolarHBondContact O-N 3.13Å; G863-L867 VanDerWaalsContact O-CB 3.3Å; G863-L867 WeakPolarHBondContact O-CB 3.49Å; G863-L867 PolarHBondContact O-N 3.11Å; G863-L867 VanDerWaalsContact O-N 3.07Å |
| 864 | A | 91.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.6 | -41.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | M838 L839 M860 L867 L868 L922 | M838-A864 HydrophobicContact CB-CB 4.26Å; L839-A864 HydrophobicContact CD2-CB 4.24Å; L839-A864 HydrophobicContact CG-CB 4.41Å; M860-A864 VanDerWaalsContact O-CB 3.26Å; M860-A864 WeakPolarHBondContact O-CB 3.43Å; M860-A864 PolarHBondContact O-N 3.37Å; A864-L867 PolarHBondContact O-N 3.45Å; A864-L868 VanDerWaalsContact O-CB 3.29Å; A864-L868 WeakPolarHBondContact O-CB 3.4Å; A864-L868 VanDerWaalsContact O-CG 3.26Å; A864-L868 WeakPolarHBondContact O-CG 3.42Å; A864-L868 PolarHBondContact O-N 2.92Å; A864-L922 HydrophobicContact CB-CD1 4.01Å |
| 865 | A | 90.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60 | -50.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F861 M862 L868 E869 A972 V975 I976 | F861-A865 WeakPolarHBondContact O-CB 3.35Å; F861-A865 PolarHBondContact O-N 3.34Å; M862-A865 PolarHBondContact O-N 3.14Å; A865-L868 PolarHBondContact O-N 3.34Å; A865-E869 WeakPolarHBondContact O-CB 3.45Å; A865-E869 PolarHBondContact O-N 2.98Å; A865-A972 HydrophobicContact CB-CB 3.97Å; A865-V975 HydrophobicContact CB-CB 4.34Å; A865-V975 HydrophobicContact CB-CG1 4.02Å; A865-I976 HydrophobicContact CB-CD1 3.79Å; A865-I976 HydrophobicContact CB-CG1 3.8Å |
| 866 | Y | 89.7 | Confident | 86.5 | Confident | 8 Ų | 8 | 16.6 Ų | 16.6 | 3% | 0.031 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.3 | -38.2 | 178.1 | -88.4 | -99.6 | 0 | 0 | 0 | 112.3 | H812 A815 S816 S819 M862 R870 V975 H1117 | H812-Y866 WeakPolarHBondContact CB-OH 3.43Å; H812-Y866 AromaticContact ND1-CE2 3.62Å; H812-Y866 AromaticContact ND1-CZ 3.71Å; H812-Y866 PolarHBondContact ND1-OH 3.36Å; A815-Y866 HydrophobicContact CB-CD2 3.76Å; A815-Y866 HydrophobicContact CB-CE2 4.19Å; A815-Y866 HydrophobicContact CB-CG 4.16Å; S816-Y866 VanDerWaalsContact CA-CD1 3.49Å; S819-Y866 WeakPolarHBondContact OG-CB 3.43Å; M862-Y866 HydrophobicContact CG-CD2 3.97Å; M862-Y866 HydrophobicContact CG-CE2 3.89Å; M862-Y866 WeakPolarHBondContact O-CD2 3.44Å; M862-Y866 PolarHBondContact O-N 3.15Å; M862-Y866 VanDerWaalsContact O-N 3.11Å; M862-Y866 HydrophobicContact SD-CD2 3.96Å; M862-Y866 HydrophobicContact SD-CE2 3.63Å; Y866-R870 PolarHBondContact O-N 3.46Å; Y866-R870 VanDerWaalsContact O-N 3.12Å; Y866-V975 HydrophobicContact CD1-CG1 4.38Å; Y866-V975 HydrophobicContact CD2-CB 4.43Å; Y866-V975 HydrophobicContact CD2-CG1 3.69Å; Y866-V975 HydrophobicContact CD2-CG2 3.97Å; Y866-V975 HydrophobicContact CE2-CB 4.44Å; Y866-V975 HydrophobicContact CE2-CG1 4.08Å; Y866-V975 HydrophobicContact CE2-CG2 3.52Å; Y866-V975 HydrophobicContact CG-CG1 3.87Å; Y866-H1117 AromaticContact CD1-NE2 3.33Å; Y866-H1117 VanDerWaalsContact CD1-NE2 3.33Å; Y866-H1117 WeakPolarHBondContact CD1-NE2 3.14Å; Y866-H1117 AromaticContact CE1-CD2 3.53Å; Y866-H1117 AromaticContact CE1-NE2 3.2Å; Y866-H1117 WeakPolarHBondContact CE1-NE2 3.23Å |
| 867 | L | 90.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -69 | -41.5 | 178.3 | -174.8 | 53.3 | 0 | 0 | 0 | 112.1 | V822 M823 A831 T834 A835 G863 A864 R870 L871 | V822-L867 HydrophobicContact CB-CD1 4.11Å; V822-L867 HydrophobicContact CG1-CD1 3.76Å; V822-L867 HydrophobicContact CG1-CD2 3.97Å; M823-L867 HydrophobicContact CG-CD1 4Å; M823-L867 HydrophobicContact SD-CD1 4.35Å; A831-L867 HydrophobicContact CB-CD1 4.42Å; A831-L867 WeakPolarHBondContact O-CD2 3.38Å; T834-L867 HydrophobicContact CG2-CD2 4.26Å; A835-L867 HydrophobicContact CB-CD2 3.99Å; A835-L867 HydrophobicContact CB-CG 4.3Å; G863-L867 VanDerWaalsContact O-CB 3.3Å; G863-L867 WeakPolarHBondContact O-CB 3.49Å; G863-L867 PolarHBondContact O-N 3.11Å; G863-L867 VanDerWaalsContact O-N 3.07Å; A864-L867 PolarHBondContact O-N 3.45Å; L867-R870 PolarHBondContact O-N 3.21Å; L867-L871 HydrophobicContact CD1-CD1 4.45Å; L867-L871 HydrophobicContact CG-CD1 4.23Å; L867-L871 WeakPolarHBondContact O-CB 3.48Å; L867-L871 WeakPolarHBondContact O-CG 3.42Å; L867-L871 PolarHBondContact O-N 3.16Å |
| 868 | L | 90 | Very high | 83.8 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.7 | -35.4 | 175 | -70.5 | 170.7 | 0 | 0 | 0 | 112.3 | L832 A835 A864 A865 L871 F872 T918 I919 L922 | L832-L868 HydrophobicContact CD1-CD2 4.06Å; A835-L868 HydrophobicContact CB-CD2 4.05Å; A835-L868 HydrophobicContact CB-CG 4.12Å; A864-L868 VanDerWaalsContact O-CB 3.29Å; A864-L868 WeakPolarHBondContact O-CB 3.4Å; A864-L868 VanDerWaalsContact O-CG 3.26Å; A864-L868 WeakPolarHBondContact O-CG 3.42Å; A864-L868 PolarHBondContact O-N 2.92Å; A865-L868 PolarHBondContact O-N 3.34Å; L868-L871 HydrophobicContact CD2-CD1 4.38Å; L868-L871 PolarHBondContact O-N 2.81Å; L868-F872 WeakPolarHBondContact O-CB 3.48Å; L868-F872 PolarHBondContact O-N 3.24Å; L868-T918 WeakPolarHBondContact CD2-OG1 3.37Å; L868-I919 HydrophobicContact CB-CG1 4.29Å; L868-I919 HydrophobicContact CD1-CG1 4.28Å; L868-I919 HydrophobicContact CD2-CG1 4.47Å; L868-L922 HydrophobicContact CD1-CB 4.41Å; L868-L922 HydrophobicContact CD1-CD1 3.7Å |
| 869 | E | 88.5 | Confident | 81.5 | Confident | 10 Ų | 10 | 30.2 Ų | 30.2 | 5% | 0.047 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.3 | -48.1 | 170.1 | 162.7 | 171.7 | -130.9 | 0 | 0 | 111.4 | A865 F872 T873 V975 R978 A979 H1117 | A865-E869 WeakPolarHBondContact O-CB 3.45Å; A865-E869 PolarHBondContact O-N 2.98Å; E869-F872 PolarHBondContact O-N 2.91Å; E869-T873 VanDerWaalsContact O-CB 3.29Å; E869-T873 WeakPolarHBondContact O-CB 3.36Å; E869-T873 PolarHBondContact O-N 3.37Å; E869-T873 PolarHBondContact O-OG1 2.66Å; E869-V975 HydrophobicContact CB-CG1 4.32Å; E869-V975 VanDerWaalsContact OE2-CG1 3.28Å; E869-V975 WeakPolarHBondContact OE2-CG1 3.23Å; E869-R978 IonicContact OE1-CZ 3.97Å; E869-R978 IonicContact OE1-NE 2.85Å; E869-R978 PolarHBondContact OE1-NE 3.16Å; E869-R978 IonicContact OE1-NH2 2.97Å; E869-R978 PolarHBondContact OE1-NH2 3.03Å; E869-R978 IonicContact OE2-CZ 3.29Å; E869-R978 IonicContact OE2-NE 2.81Å; E869-R978 IonicContact OE2-NH2 3.33Å; E869-R978 PolarHBondContact OE2-NH2 3.32Å; E869-A979 HydrophobicContact CB-CB 4.04Å; E869-A979 HydrophobicContact CG-CB 3.64Å; E869-H1117 IonicContact OE2-CE1 2.7Å; E869-H1117 PolarHBondContact OE2-CE1 3.3Å; E869-H1117 VanDerWaalsContact OE2-CE1 3.26Å; E869-H1117 IonicContact OE2-NE2 3.31Å |
| 870 | R | 86.8 | Confident | 78.6 | Confident | 31 Ų | 31 | 37.1 Ų | 37.1 | 12% | 0.117 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -72.3 | -37.1 | -179.3 | -63.8 | -144 | -171.4 | 91.8 | 2 | 112.7 | S816 S819 V820 M823 Y866 L867 T873 A874 Y1119 | S816-R870 PolarHBondContact O-NH1 3.23Å; S816-R870 PolarHBondContact O-NH2 3.33Å; S816-R870 PolarHBondContact OG-NH2 2.9Å; S819-R870 PolarHBondContact O-NH1 2.94Å; S819-R870 PolarHBondContact OG-NH1 3.33Å; V820-R870 VanDerWaalsContact CG2-CZ 3.48Å; V820-R870 VanDerWaalsContact CG2-NH1 3.29Å; V820-R870 VanDerWaalsContact N-NH1 3.11Å; M823-R870 HydrophobicContact CE-CB 4.29Å; M823-R870 HydrophobicContact CG-CB 4.06Å; M823-R870 HydrophobicContact SD-CB 4.41Å; Y866-R870 PolarHBondContact O-N 3.46Å; Y866-R870 VanDerWaalsContact O-N 3.12Å; L867-R870 PolarHBondContact O-N 3.21Å; R870-T873 PolarHBondContact O-N 3.08Å; R870-A874 WeakPolarHBondContact O-CB 3.49Å; R870-A874 PolarHBondContact O-N 3.18Å; R870-Y1119 PolarHBondContact NH2-OH 3.06Å |
| 871 | L | 87.6 | Confident | 75.4 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.7 | -44.5 | 171.2 | -77.1 | 167 | 0 | 0 | 0 | 111.9 | M823 P828 A831 L832 L867 L868 A874 Y875 I915 | M823-L871 HydrophobicContact CE-CD2 4.41Å; M823-L871 HydrophobicContact SD-CD2 3.59Å; M823-L871 VanDerWaalsContact SD-CD2 3.59Å; M823-L871 HydrophobicContact SD-CG 3.74Å; P828-L871 HydrophobicContact CB-CD2 4.13Å; A831-L871 HydrophobicContact CB-CD1 4.4Å; A831-L871 HydrophobicContact CB-CD2 4.13Å; L832-L871 HydrophobicContact CB-CD1 4.16Å; L832-L871 HydrophobicContact CD1-CD1 4.27Å; L867-L871 HydrophobicContact CD1-CD1 4.45Å; L867-L871 HydrophobicContact CG-CD1 4.23Å; L867-L871 WeakPolarHBondContact O-CB 3.48Å; L867-L871 WeakPolarHBondContact O-CG 3.42Å; L867-L871 PolarHBondContact O-N 3.16Å; L868-L871 HydrophobicContact CD2-CD1 4.38Å; L868-L871 PolarHBondContact O-N 2.81Å; L871-A874 PolarHBondContact O-N 3.3Å; L871-Y875 HydrophobicContact CD2-CD2 4.17Å; L871-Y875 HydrophobicContact CD2-CE2 4.21Å; L871-Y875 WeakPolarHBondContact O-CB 3.45Å; L871-Y875 WeakPolarHBondContact O-CD2 3.39Å; L871-Y875 PolarHBondContact O-N 3.17Å; L871-I915 HydrophobicContact CB-CD1 4.14Å; L871-I915 HydrophobicContact CB-CG1 4.38Å |
| 872 | F | 85.1 | Confident | 72.2 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.8 | -47.4 | 176.7 | -174.5 | -90.9 | 0 | 0 | 0 | 111.3 | L868 E869 A874 V876 V877 I915 I919 G980 C981 | L868-F872 WeakPolarHBondContact O-CB 3.48Å; L868-F872 PolarHBondContact O-N 3.24Å; E869-F872 PolarHBondContact O-N 2.91Å; F872-A874 VanDerWaalsContact C-N 3.34Å; F872-A874 PolarHBondContact O-N 2.77Å; F872-V876 HydrophobicContact CD2-CB 3.6Å; F872-V876 HydrophobicContact CD2-CG1 3.65Å; F872-V876 HydrophobicContact CD2-CG2 3.92Å; F872-V876 HydrophobicContact CE2-CB 3.81Å; F872-V876 HydrophobicContact CE2-CG1 3.33Å; F872-V876 HydrophobicContact CE2-CG2 4.46Å; F872-V876 HydrophobicContact CG-CB 3.97Å; F872-V876 HydrophobicContact CG-CG1 4.42Å; F872-V876 HydrophobicContact CG-CG2 4.41Å; F872-V876 HydrophobicContact CZ-CB 4.34Å; F872-V876 HydrophobicContact CZ-CG1 3.88Å; F872-V876 CarbonylContact O-C 3.53Å; F872-V876 VanDerWaalsContact O-CA 3.27Å; F872-V876 WeakPolarHBondContact O-CA 3.2Å; F872-V876 VanDerWaalsContact O-CB 3.26Å; F872-V876 WeakPolarHBondContact O-CB 3.43Å; F872-V876 PolarHBondContact O-N 3.4Å; F872-V877 HydrophobicContact CD1-CG2 3.66Å; F872-V877 HydrophobicContact CE1-CG2 3.39Å; F872-V877 HydrophobicContact CZ-CG2 4.25Å; F872-V877 PolarHBondContact O-N 3.09Å; F872-I915 HydrophobicContact CB-CG2 4.38Å; F872-I915 HydrophobicContact CD2-CG2 4.46Å; F872-I919 HydrophobicContact CB-CD1 4.46Å; F872-I919 HydrophobicContact CD2-CD1 3.77Å; F872-I919 HydrophobicContact CE2-CD1 4.5Å; F872-I919 HydrophobicContact CG-CD1 4.45Å; F872-G980 VanDerWaalsContact CE1-C 3.49Å; F872-G980 VanDerWaalsContact CZ-O 3.3Å; F872-G980 WeakPolarHBondContact CZ-O 3.46Å; F872-C981 HydrophobicContact CD2-CB 4.41Å; F872-C981 HydrophobicContact CG-CB 4.42Å; F872-C981 VanDerWaalsContact CG-SG 3.54Å |
| 873 | T | 80.2 | Confident | 69 | Low | 73 Ų | 73 | 51.5 Ų | 51.5 | 45% | 0.448 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.1 | -39.2 | 178.9 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | E869 R870 | E869-T873 VanDerWaalsContact O-CB 3.29Å; E869-T873 WeakPolarHBondContact O-CB 3.36Å; E869-T873 PolarHBondContact O-N 3.37Å; E869-T873 PolarHBondContact O-OG1 2.66Å; R870-T873 PolarHBondContact O-N 3.08Å |
| 874 | A | 80 | Confident | 65.9 | Low | 56 Ų | 56 | 57.2 Ų | 57.2 | 46% | 0.463 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -79.3 | -32.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | M823 R870 L871 F872 | M823-A874 HydrophobicContact CE-CB 3.82Å; R870-A874 WeakPolarHBondContact O-CB 3.49Å; R870-A874 PolarHBondContact O-N 3.18Å; L871-A874 PolarHBondContact O-N 3.3Å; F872-A874 VanDerWaalsContact C-N 3.34Å; F872-A874 PolarHBondContact O-N 2.77Å |
| 875 | Y | 79.1 | Confident | 62.5 | Low | 70 Ų | 70 | 62 Ų | 62 | 28% | 0.275 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -123.3 | -9.8 | -170.9 | -60.5 | -74.8 | 0 | 0 | 0 | 115.7 | M823 P828 L871 H908 L911 | M823-Y875 HydrophobicContact CE-CE2 4.14Å; P828-Y875 HydrophobicContact CB-CD2 4.06Å; P828-Y875 HydrophobicContact CB-CE1 4.28Å; P828-Y875 HydrophobicContact CB-CE2 3.38Å; P828-Y875 HydrophobicContact CG-CE1 4.15Å; P828-Y875 HydrophobicContact CG-CE2 4.12Å; L871-Y875 HydrophobicContact CD2-CD2 4.17Å; L871-Y875 HydrophobicContact CD2-CE2 4.21Å; L871-Y875 WeakPolarHBondContact O-CB 3.45Å; L871-Y875 WeakPolarHBondContact O-CD2 3.39Å; L871-Y875 PolarHBondContact O-N 3.17Å; Y875-H908 PolarHBondContact O-CE1 2.91Å; Y875-L911 HydrophobicContact CD1-CD2 3.89Å; Y875-L911 HydrophobicContact CD2-CD2 4.3Å; Y875-L911 HydrophobicContact CE1-CD2 4.38Å; Y875-L911 HydrophobicContact CG-CD2 3.84Å |
| 876 | V | 74.3 | Confident | 59.2 | Low | 18 Ų | 18 | 66.8 Ų | 66.8 | 11% | 0.109 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | -12.4 | -176.8 | -169.7 | 0 | 0 | 0 | 0 | 112.6 | F872 P878 Q912 I915 I916 | F872-V876 HydrophobicContact CD2-CB 3.6Å; F872-V876 HydrophobicContact CD2-CG1 3.65Å; F872-V876 HydrophobicContact CD2-CG2 3.92Å; F872-V876 HydrophobicContact CE2-CB 3.81Å; F872-V876 HydrophobicContact CE2-CG1 3.33Å; F872-V876 HydrophobicContact CE2-CG2 4.46Å; F872-V876 HydrophobicContact CG-CB 3.97Å; F872-V876 HydrophobicContact CG-CG1 4.42Å; F872-V876 HydrophobicContact CG-CG2 4.41Å; F872-V876 HydrophobicContact CZ-CB 4.34Å; F872-V876 HydrophobicContact CZ-CG1 3.88Å; F872-V876 CarbonylContact O-C 3.53Å; F872-V876 VanDerWaalsContact O-CA 3.27Å; F872-V876 WeakPolarHBondContact O-CA 3.2Å; F872-V876 VanDerWaalsContact O-CB 3.26Å; F872-V876 WeakPolarHBondContact O-CB 3.43Å; F872-V876 PolarHBondContact O-N 3.4Å; V876-P878 VanDerWaalsContact C-CD 3.49Å; V876-P878 WeakPolarHBondContact O-CD 3.3Å; V876-Q912 HydrophobicContact CG1-CG 4.06Å; V876-Q912 HydrophobicContact CG2-CG 4.15Å; V876-I915 HydrophobicContact CG2-CB 4.18Å; V876-I915 HydrophobicContact CG2-CD1 4.02Å; V876-I915 HydrophobicContact CG2-CG2 3.91Å; V876-I916 HydrophobicContact CG1-CD1 4.43Å |
| 877 | V | 65.6 | Low | 56 | Low | 66 Ų | 66 | 75.7 Ų | 75.7 | 40% | 0.4 | 44% | 0.437 | S | S | . | . | trans | -116.4 | 75.4 | 176.7 | -169.5 | 0 | 0 | 0 | 0 | 112.8 | F872 | F872-V877 HydrophobicContact CD1-CG2 3.66Å; F872-V877 HydrophobicContact CE1-CG2 3.39Å; F872-V877 HydrophobicContact CZ-CG2 4.25Å; F872-V877 PolarHBondContact O-N 3.09Å | ||
| 878 | P | 49.7 | Very low | 52.7 | Low | 77 Ų | 77 | 81.9 Ų | 81.9 | 50% | 0.5 | 48% | 0.475 | S | S | . | . | trans | -79.6 | 137.9 | 173.3 | -9.3 | 27 | 0 | 0 | 0 | 112.3 | V876 N880 | V876-P878 VanDerWaalsContact C-CD 3.49Å; V876-P878 WeakPolarHBondContact O-CD 3.3Å; P878-N880 PolarHBondContact O-N 3Å | ||
| 879 | F | 38.9 | Very low | 49.4 | Very low | 191 Ų | 191 | 89.8 Ų | 89.8 | 84% | 0.838 | 52% | 0.517 | S | S | * | . | trans | -67.5 | 97.8 | 167.6 | -88.3 | -98.7 | 0 | 0 | 0 | 111.2 | S881 | F879-S881 PolarHBondContact O-N 2.93Š| ||
| 880 | N | 25.8 | Very low | 46.3 | Very low | 145 Ų | 145 | 94.2 Ų | 94.2 | 78% | 0.775 | 54% | 0.537 | S | S | * | . | trans | -78.1 | 65.2 | 169 | -86.1 | -29.5 | 0 | 0 | 0 | 111.2 | P878 | P878-N880 PolarHBondContact O-N 3Š| ||
| 881 | S | 24.1 | Very low | 43.2 | Very low | 76 Ų | 76 | 101.5 Ų | 101.5 | 53% | 0.531 | 57% | 0.572 | S | S | . | * | trans | -120.2 | 105.7 | 177.5 | 56.8 | 0 | 0 | 0 | 0 | 112.1 | F879 | F879-S881 PolarHBondContact O-N 2.93Š| ||
| 882 | T | 23.5 | Very low | 40.1 | Very low | 123 Ų | 123 | 107.2 Ų | 107.2 | 76% | 0.755 | 61% | 0.612 | S | S | * | * | trans | 43.3 | 102.6 | 156 | 50.8 | 0 | 0 | 0 | 0 | 118.7 | V884 | T882-V884 PolarHBondContact O-N 3.17Š| ||
| 883 | S | 21 | Very low | 37.1 | Very low | 130 Ų | 130 | 112 Ų | 112 | 91% | 0.909 | 65% | 0.647 | S | S | * | * | trans | -69.8 | 86.6 | 161.1 | 56.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 884 | V | 21.8 | Very low | 34.6 | Very low | 121 Ų | 121 | 115 Ų | 115 | 73% | 0.733 | 67% | 0.665 | S | S | * | * | trans | -87.9 | 113.7 | 168.3 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | T882 S886 | T882-V884 PolarHBondContact O-N 3.17Å; V884-S886 PolarHBondContact O-N 2.91Å | ||
| 885 | S | 21 | Very low | 32.1 | Very low | 99 Ų | 99 | 120.8 Ų | 120.8 | 69% | 0.692 | 68% | 0.682 | S | S | * | * | trans | -82 | 78.9 | -176 | 175.5 | 0 | 0 | 0 | 0 | 112.6 | K887 | S885-K887 PolarHBondContact O-N 3.38Š| ||
| 886 | S | 20.5 | Very low | 29.6 | Very low | 102 Ų | 102 | 124.8 Ų | 124.8 | 71% | 0.713 | 70% | 0.704 | S | S | * | * | trans | -70.9 | 102.9 | 163.6 | 53.7 | 0 | 0 | 0 | 0 | 110.3 | V884 T888 | V884-S886 PolarHBondContact O-N 2.91Å; S886-T888 PolarHBondContact O-N 3.47Å; S886-T888 VanDerWaalsContact O-N 3.16Å | ||
| 887 | K | 21.7 | Very low | 27.7 | Very low | 194 Ų | 194 | 128.4 Ų | 128.4 | 84% | 0.843 | 73% | 0.726 | S | S | * | * | trans | -73.4 | 100.2 | 178.9 | -66.6 | 175.7 | -179.1 | 173.8 | 0 | 111.2 | S885 | S885-K887 PolarHBondContact O-N 3.38Š| ||
| 888 | T | 21.3 | Very low | 26.5 | Very low | 131 Ų | 131 | 134.8 Ų | 134.8 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | -125.4 | 102.6 | 160.7 | 45.2 | 0 | 0 | 0 | 0 | 110.5 | S886 K890 | S886-T888 PolarHBondContact O-N 3.47Å; S886-T888 VanDerWaalsContact O-N 3.16Å; T888-K890 PolarHBondContact O-N 3.23Å | ||
| 889 | N | 21.7 | Very low | 25.9 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 88% | 0.882 | 76% | 0.759 | S | S | * | * | trans | -62.3 | 121.2 | 170.5 | -99.5 | -18.9 | 0 | 0 | 0 | 110.2 | ||||
| 890 | K | 22 | Very low | 26 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 45% | 0.452 | 73% | 0.73 | S | S | . | * | trans | -153.9 | 98 | 142.3 | -116.8 | 156.7 | -166.9 | 162.6 | 0 | 113.5 | V714 N715 N716 T888 S892 | V714-K890 HydrophobicContact CG1-CD 4.12Å; N715-K890 PolarHBondContact O-NZ 2.67Å; N716-K890 VanDerWaalsContact CG-NZ 3.34Å; N716-K890 PolarHBondContact OD1-NZ 3.45Å; T888-K890 PolarHBondContact O-N 3.23Å; K890-S892 PolarHBondContact O-N 2.81Å | ||
| 891 | Q | 22 | Very low | 26.8 | Very low | 183 Ų | 183 | 132 Ų | 132 | 86% | 0.855 | 73% | 0.728 | S | S | * | * | trans | 1.3 | 110.6 | 143 | -62.4 | 156.4 | -47.6 | 0 | 0 | 116.3 | ||||
| 892 | S | 22.6 | Very low | 27.9 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 84% | 0.839 | 74% | 0.737 | S | S | * | * | -147.1 | 148.1 | 104.7 | 67.3 | 0 | 0 | 0 | 0 | 109.8 | K890 | K890-S892 PolarHBondContact O-N 2.81Š| |||
| 893 | S | 22.7 | Very low | 29.2 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 76% | 0.762 | 73% | 0.727 | S | S | * | * | trans | -104.3 | 123.8 | -172.7 | 50.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 894 | T | 27.2 | Very low | 30.8 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 83% | 0.828 | 71% | 0.712 | S | S | * | * | trans | -141.8 | 118.2 | 155.8 | -45.6 | 0 | 0 | 0 | 0 | 108.4 | Q896 | T894-Q896 PolarHBondContact O-N 3.21Š| ||
| 895 | E | 27.2 | Very low | 32.7 | Very low | 178 Ų | 178 | 137 Ų | 137 | 83% | 0.832 | 71% | 0.706 | S | S | * | * | trans | -81.3 | 76.9 | -163.7 | -62.1 | -173.7 | 109.2 | 0 | 0 | 113 | T897 | E895-T897 VanDerWaalsContact C-N 3.33Å; E895-T897 PolarHBondContact O-N 3.21Å | ||
| 896 | Q | 26.3 | Very low | 34.9 | Very low | 154 Ų | 154 | 136.2 Ų | 136.2 | 72% | 0.72 | 69% | 0.692 | S | S | * | * | trans | -68 | 97.6 | 160.1 | -70.3 | -158.3 | -3.9 | 0 | 0 | 109 | T894 | T894-Q896 PolarHBondContact O-N 3.21Š| ||
| 897 | T | 36 | Very low | 37.2 | Very low | 94 Ų | 94 | 135.7 Ų | 135.7 | 58% | 0.577 | 68% | 0.681 | S | S | * | * | trans | -50.9 | 151.6 | -172.7 | 66.2 | 0 | 0 | 0 | 0 | 113.1 | E895 K899 G900 | E895-T897 VanDerWaalsContact C-N 3.33Å; E895-T897 PolarHBondContact O-N 3.21Å; T897-K899 PolarHBondContact O-N 3.33Å; T897-G900 PolarHBondContact O-N 3.4Å | ||
| 898 | K | 38.8 | Very low | 39.8 | Very low | 199 Ų | 199 | 130 Ų | 130 | 87% | 0.865 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -54.8 | -22.5 | -179.4 | -75.2 | 178.3 | 176.4 | 172.9 | 0 | 113.8 | K902 | K898-K902 PolarHBondContact O-N 3.05Å |
| 899 | K | 38.2 | Very low | 42.4 | Very low | 168 Ų | 168 | 131 Ų | 131 | 73% | 0.73 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -64.6 | -49.9 | 173.9 | -154.5 | 179.8 | -174.7 | -172.5 | 0 | 111.2 | T897 K901 K902 E903 | T897-K899 PolarHBondContact O-N 3.33Å; K899-K901 VanDerWaalsContact C-N 3.26Å; K899-K901 PolarHBondContact O-N 3.14Å; K899-K902 WeakPolarHBondContact O-CB 3.28Å; K899-K902 PolarHBondContact O-N 3.32Å; K899-E903 WeakPolarHBondContact O-CB 3.44Å; K899-E903 PolarHBondContact O-N 2.82Å |
| 900 | G | 40 | Very low | 45.2 | Very low | 23 Ų | 23 | 126.4 Ų | 126.4 | 24% | 0.237 | 62% | 0.622 | C | S | . | * | H | α-helix | trans | -62.8 | -27 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | T897 K904 | T897-G900 PolarHBondContact O-N 3.4Å; G900-K904 WeakPolarHBondContact O-CB 3.38Å; G900-K904 PolarHBondContact O-N 3.35Å |
| 901 | K | 43.5 | Very low | 48 | Very low | 165 Ų | 165 | 122.1 Ų | 122.1 | 72% | 0.717 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.3 | -42.7 | 172.3 | -132.7 | 177.4 | -172.6 | 179.4 | 0 | 111.8 | K899 E903 Q905 | K899-K901 VanDerWaalsContact C-N 3.26Å; K899-K901 PolarHBondContact O-N 3.14Å; K901-E903 VanDerWaalsContact C-N 3.33Å; K901-Q905 WeakPolarHBondContact O-CB 3.33Å; K901-Q905 PolarHBondContact O-N 2.87Å; K901-Q905 VanDerWaalsContact O-N 3.14Å |
| 902 | K | 47.1 | Very low | 50.8 | Low | 169 Ų | 169 | 116.5 Ų | 116.5 | 74% | 0.735 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.4 | -37.1 | 175.3 | -142.6 | -179.1 | -172.7 | -173.9 | 0 | 111.5 | K898 K899 Q905 Q906 | K898-K902 PolarHBondContact O-N 3.05Å; K899-K902 WeakPolarHBondContact O-CB 3.28Å; K899-K902 PolarHBondContact O-N 3.32Å; K902-Q905 PolarHBondContact O-N 3.49Å; K902-Q906 PolarHBondContact O-N 3.3Å |
| 903 | E | 51.2 | Low | 53.6 | Low | 115 Ų | 115 | 114.3 Ų | 114.3 | 54% | 0.537 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.8 | -47.6 | 177.9 | -171.9 | 170.1 | -169.8 | 0 | 0 | 112.8 | K899 K901 Q905 Q906 N907 | K899-E903 WeakPolarHBondContact O-CB 3.44Å; K899-E903 PolarHBondContact O-N 2.82Å; K901-E903 VanDerWaalsContact C-N 3.33Å; E903-Q905 PolarHBondContact O-N 2.76Å; E903-Q906 PolarHBondContact O-N 3.13Å; E903-Q906 VanDerWaalsContact O-N 3.15Å; E903-N907 WeakPolarHBondContact O-CB 3.21Å; E903-N907 PolarHBondContact O-N 2.96Å |
| 904 | K | 55.2 | Low | 56.6 | Low | 137 Ų | 137 | 111.6 Ų | 111.6 | 60% | 0.596 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -54.7 | -41.6 | 169.6 | -87.7 | -179.4 | 171.4 | 170.8 | 0 | 111.8 | G900 N907 H908 | G900-K904 WeakPolarHBondContact O-CB 3.38Å; G900-K904 PolarHBondContact O-N 3.35Å; K904-N907 PolarHBondContact O-N 2.77Å; K904-H908 VanDerWaalsContact O-CB 3.28Å; K904-H908 WeakPolarHBondContact O-CB 3.45Å; K904-H908 PolarHBondContact O-N 3.29Å |
| 905 | Q | 59.9 | Low | 59.5 | Low | 132 Ų | 132 | 105.1 Ų | 105.1 | 62% | 0.617 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -72.9 | -27.6 | -179.1 | -158.6 | 164.5 | 24.2 | 0 | 0 | 113.1 | K901 K902 E903 R909 | K901-Q905 WeakPolarHBondContact O-CB 3.33Å; K901-Q905 PolarHBondContact O-N 2.87Å; K901-Q905 VanDerWaalsContact O-N 3.14Å; K902-Q905 PolarHBondContact O-N 3.49Å; E903-Q905 PolarHBondContact O-N 2.76Å; Q905-R909 PolarHBondContact O-N 3.21Å |
| 906 | Q | 67.1 | Low | 62.2 | Low | 84 Ų | 84 | 98.3 Ų | 98.3 | 39% | 0.393 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -76.5 | -44.5 | 170.4 | -173.7 | 59.9 | 41.4 | 0 | 0 | 111.8 | K902 E903 H908 R909 N910 | K902-Q906 PolarHBondContact O-N 3.3Å; E903-Q906 PolarHBondContact O-N 3.13Å; E903-Q906 VanDerWaalsContact O-N 3.15Å; Q906-H908 PolarHBondContact O-N 3.22Å; Q906-R909 WeakPolarHBondContact O-CB 3.47Å; Q906-R909 PolarHBondContact O-N 2.91Å; Q906-N910 PolarHBondContact NE2-OD1 2.91Å; Q906-N910 PolarHBondContact O-N 2.95Å; Q906-N910 PolarHBondContact O-OD1 3.32Å; Q906-N910 VanDerWaalsContact O-OD1 3.14Å |
| 907 | N | 70.5 | Confident | 65 | Low | 91 Ų | 91 | 97.2 Ų | 97.2 | 49% | 0.487 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.6 | -35.1 | 176.7 | -69.7 | -7.5 | 0 | 0 | 0 | 111.6 | E903 K904 N910 L911 | E903-N907 WeakPolarHBondContact O-CB 3.21Å; E903-N907 PolarHBondContact O-N 2.96Å; K904-N907 PolarHBondContact O-N 2.77Å; N907-N910 PolarHBondContact O-N 3.01Å; N907-L911 WeakPolarHBondContact O-CB 3.36Å; N907-L911 PolarHBondContact O-N 2.82Å |
| 908 | H | 75.5 | Confident | 67.5 | Low | 73 Ų | 73 | 92.8 Ų | 92.8 | 34% | 0.338 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 172.2 | -176.6 | 46.4 | 0 | 0 | 0 | 112.8 | Y875 K904 Q906 Q912 | Y875-H908 PolarHBondContact O-CE1 2.91Å; K904-H908 VanDerWaalsContact O-CB 3.28Å; K904-H908 WeakPolarHBondContact O-CB 3.45Å; K904-H908 PolarHBondContact O-N 3.29Å; Q906-H908 PolarHBondContact O-N 3.22Å; H908-Q912 WeakPolarHBondContact O-CB 3.25Å; H908-Q912 PolarHBondContact O-N 3.36Å |
| 909 | R | 75 | Confident | 69.8 | Low | 154 Ų | 154 | 83.3 Ų | 83.3 | 58% | 0.581 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64.7 | -43.1 | 171.4 | -76.5 | 176.6 | 172 | 176.9 | -5.8 | 112.6 | Q905 Q906 Q912 T913 | Q905-R909 PolarHBondContact O-N 3.21Å; Q906-R909 WeakPolarHBondContact O-CB 3.47Å; Q906-R909 PolarHBondContact O-N 2.91Å; R909-Q912 WeakPolarHBondContact O-CB 3.46Å; R909-Q912 PolarHBondContact O-N 3.21Å; R909-T913 PolarHBondContact O-N 3Å; R909-T913 PolarHBondContact O-OG1 3.4Å |
| 910 | N | 80.4 | Confident | 72.1 | Confident | 68 Ų | 68 | 78.4 Ų | 78.4 | 36% | 0.364 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.8 | -48.9 | 178.5 | -63.2 | 2.1 | 0 | 0 | 0 | 110 | Q906 N907 Q912 T913 D914 | Q906-N910 PolarHBondContact NE2-OD1 2.91Å; Q906-N910 PolarHBondContact O-N 2.95Å; Q906-N910 PolarHBondContact O-OD1 3.32Å; Q906-N910 VanDerWaalsContact O-OD1 3.14Å; N907-N910 PolarHBondContact O-N 3.01Å; N910-Q912 VanDerWaalsContact C-N 3.34Å; N910-Q912 PolarHBondContact O-N 3.11Å; N910-T913 WeakPolarHBondContact CA-OG1 3.41Å; N910-T913 PolarHBondContact O-N 2.83Å; N910-T913 VanDerWaalsContact O-N 3.16Å; N910-T913 PolarHBondContact O-OG1 3.32Å; N910-D914 PolarHBondContact O-N 3.4Å |
| 911 | L | 81.7 | Confident | 74.4 | Confident | 14 Ų | 14 | 81.3 Ų | 81.3 | 7% | 0.073 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -56.8 | -44.3 | 173.5 | 177.9 | 67 | 0 | 0 | 0 | 111.9 | P828 T829 L832 Y875 N907 T913 D914 I915 | P828-L911 HydrophobicContact CB-CD2 3.96Å; P828-L911 HydrophobicContact CG-CD2 4Å; T829-L911 HydrophobicContact CG2-CD1 4.06Å; L832-L911 HydrophobicContact CD2-CD1 3.97Å; Y875-L911 HydrophobicContact CD1-CD2 3.89Å; Y875-L911 HydrophobicContact CD2-CD2 4.3Å; Y875-L911 HydrophobicContact CE1-CD2 4.38Å; Y875-L911 HydrophobicContact CG-CD2 3.84Å; N907-L911 WeakPolarHBondContact O-CB 3.36Å; N907-L911 PolarHBondContact O-N 2.82Å; L911-T913 PolarHBondContact O-N 2.9Å; L911-D914 PolarHBondContact O-N 2.97Å; L911-I915 HydrophobicContact CD1-CD1 4.04Å; L911-I915 HydrophobicContact CD1-CG1 4.25Å; L911-I915 HydrophobicContact CG-CD1 3.83Å; L911-I915 HydrophobicContact CG-CG1 4.44Å; L911-I915 VanDerWaalsContact O-CG1 3.27Å; L911-I915 WeakPolarHBondContact O-CG1 3.42Å; L911-I915 PolarHBondContact O-N 3.44Å |
| 912 | Q | 81.5 | Confident | 76.6 | Confident | 64 Ų | 64 | 73.5 Ų | 73.5 | 30% | 0.299 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.4 | -44.9 | 175.5 | 176.9 | 177.8 | 30.2 | 0 | 0 | 111.9 | V876 H908 R909 N910 I916 | V876-Q912 HydrophobicContact CG1-CG 4.06Å; V876-Q912 HydrophobicContact CG2-CG 4.15Å; H908-Q912 WeakPolarHBondContact O-CB 3.25Å; H908-Q912 PolarHBondContact O-N 3.36Å; R909-Q912 WeakPolarHBondContact O-CB 3.46Å; R909-Q912 PolarHBondContact O-N 3.21Å; N910-Q912 VanDerWaalsContact C-N 3.34Å; N910-Q912 PolarHBondContact O-N 3.11Å; Q912-I916 HydrophobicContact CG-CD1 4.28Å; Q912-I916 VanDerWaalsContact O-CG1 3.32Å; Q912-I916 WeakPolarHBondContact O-CG1 3.12Å; Q912-I916 PolarHBondContact O-N 3.2Å |
| 913 | T | 80.9 | Confident | 78.5 | Confident | 75 Ų | 75 | 65.4 Ų | 65.4 | 46% | 0.46 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.7 | -33.3 | 176.4 | 48.9 | 0 | 0 | 0 | 0 | 113.2 | R909 N910 L911 R917 | R909-T913 PolarHBondContact O-N 3Å; R909-T913 PolarHBondContact O-OG1 3.4Å; N910-T913 WeakPolarHBondContact CA-OG1 3.41Å; N910-T913 PolarHBondContact O-N 2.83Å; N910-T913 VanDerWaalsContact O-N 3.16Å; N910-T913 PolarHBondContact O-OG1 3.32Å; L911-T913 PolarHBondContact O-N 2.9Å; T913-R917 PolarHBondContact O-N 2.75Å |
| 914 | D | 85.6 | Confident | 80.1 | Confident | 51 Ų | 51 | 63.6 Ų | 63.6 | 27% | 0.273 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -75.1 | -35.2 | 178.4 | -67.8 | -32.2 | 0 | 0 | 0 | 112.3 | L832 N910 L911 R917 T918 | L832-D914 HydrophobicContact CD2-CB 3.7Å; N910-D914 PolarHBondContact O-N 3.4Å; L911-D914 PolarHBondContact O-N 2.97Å; D914-R917 PolarHBondContact O-N 3.13Å; D914-R917 IonicContact OD1-CZ 2.73Å; D914-R917 IonicContact OD1-NH1 3.6Å; D914-R917 PolarHBondContact OD1-NH1 2.87Å; D914-R917 IonicContact OD1-NH2 2.67Å; D914-T918 PolarHBondContact O-N 3.3Å; D914-T918 PolarHBondContact O-OG1 3.03Å |
| 915 | I | 86.9 | Confident | 81.6 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 171.6 | -69.3 | 164.2 | 0 | 0 | 0 | 110.8 | L832 L871 F872 V876 L911 T918 I919 | L832-I915 HydrophobicContact CD1-CG1 3.96Å; L832-I915 HydrophobicContact CD2-CG1 4.04Å; L871-I915 HydrophobicContact CB-CD1 4.14Å; L871-I915 HydrophobicContact CB-CG1 4.38Å; F872-I915 HydrophobicContact CB-CG2 4.38Å; F872-I915 HydrophobicContact CD2-CG2 4.46Å; V876-I915 HydrophobicContact CG2-CB 4.18Å; V876-I915 HydrophobicContact CG2-CD1 4.02Å; V876-I915 HydrophobicContact CG2-CG2 3.91Å; L911-I915 HydrophobicContact CD1-CD1 4.04Å; L911-I915 HydrophobicContact CD1-CG1 4.25Å; L911-I915 HydrophobicContact CG-CD1 3.83Å; L911-I915 HydrophobicContact CG-CG1 4.44Å; L911-I915 VanDerWaalsContact O-CG1 3.27Å; L911-I915 WeakPolarHBondContact O-CG1 3.42Å; L911-I915 PolarHBondContact O-N 3.44Å; I915-T918 PolarHBondContact O-N 3.26Å; I915-T918 PolarHBondContact O-OG1 3.09Å; I915-I919 HydrophobicContact CG2-CD1 3.95Å; I915-I919 WeakPolarHBondContact O-CD1 3.42Å; I915-I919 WeakPolarHBondContact O-CG1 3.38Å; I915-I919 PolarHBondContact O-N 3.34Å; I915-I919 VanDerWaalsContact O-N 3.15Å |
| 916 | I | 84.4 | Confident | 82.9 | Confident | 34 Ų | 34 | 53.6 Ų | 53.6 | 17% | 0.174 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.5 | -46.7 | 176.8 | -67.8 | 166.4 | 0 | 0 | 0 | 109.7 | V876 Q912 T918 I919 E920 | V876-I916 HydrophobicContact CG1-CD1 4.43Å; Q912-I916 HydrophobicContact CG-CD1 4.28Å; Q912-I916 VanDerWaalsContact O-CG1 3.32Å; Q912-I916 WeakPolarHBondContact O-CG1 3.12Å; Q912-I916 PolarHBondContact O-N 3.2Å; I916-T918 VanDerWaalsContact C-N 3.31Å; I916-T918 PolarHBondContact O-N 3.4Å; I916-I919 WeakPolarHBondContact O-CB 3.36Å; I916-I919 PolarHBondContact O-N 3.38Å; I916-E920 WeakPolarHBondContact O-CG 3.32Å; I916-E920 PolarHBondContact O-N 3.07Å |
| 917 | R | 86.4 | Confident | 83.7 | Confident | 131 Ų | 131 | 50.8 Ų | 50.8 | 49% | 0.494 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.4 | -36.5 | 177.6 | -162.2 | -174.2 | -57.9 | 111.2 | 7.3 | 113.1 | T913 D914 E920 E921 | T913-R917 PolarHBondContact O-N 2.75Å; D914-R917 PolarHBondContact O-N 3.13Å; D914-R917 IonicContact OD1-CZ 2.73Å; D914-R917 IonicContact OD1-NH1 3.6Å; D914-R917 PolarHBondContact OD1-NH1 2.87Å; D914-R917 IonicContact OD1-NH2 2.67Å; R917-E920 PolarHBondContact O-N 3.08Å; R917-E921 WeakPolarHBondContact O-CB 3.43Å; R917-E921 PolarHBondContact O-N 3.34Å |
| 918 | T | 88.6 | Confident | 84.2 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -73.8 | -25.7 | 176.4 | 53.1 | 0 | 0 | 0 | 0 | 113.7 | L832 K836 L868 D914 I915 I916 L922 | L832-T918 HydrophobicContact CD1-CG2 3.71Å; L832-T918 VanDerWaalsContact CD1-OG1 3.25Å; L832-T918 WeakPolarHBondContact CD1-OG1 3.44Å; L832-T918 HydrophobicContact CG-CG2 4.38Å; K836-T918 HydrophobicContact CD-CG2 3.94Å; K836-T918 HydrophobicContact CG-CG2 3.51Å; L868-T918 WeakPolarHBondContact CD2-OG1 3.37Å; D914-T918 PolarHBondContact O-N 3.3Å; D914-T918 PolarHBondContact O-OG1 3.03Å; I915-T918 PolarHBondContact O-N 3.26Å; I915-T918 PolarHBondContact O-OG1 3.09Å; I916-T918 VanDerWaalsContact C-N 3.31Å; I916-T918 PolarHBondContact O-N 3.4Å; T918-L922 VanDerWaalsContact O-CB 3.3Å; T918-L922 WeakPolarHBondContact O-CB 3.45Å; T918-L922 PolarHBondContact O-N 2.82Å |
| 919 | I | 87 | Confident | 84.7 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.2 | -41.3 | 170.9 | -67 | 158.6 | 0 | 0 | 0 | 109.3 | L868 F872 I915 I916 L922 L923 C981 | L868-I919 HydrophobicContact CB-CG1 4.29Å; L868-I919 HydrophobicContact CD1-CG1 4.28Å; L868-I919 HydrophobicContact CD2-CG1 4.47Å; F872-I919 HydrophobicContact CB-CD1 4.46Å; F872-I919 HydrophobicContact CD2-CD1 3.77Å; F872-I919 HydrophobicContact CE2-CD1 4.5Å; F872-I919 HydrophobicContact CG-CD1 4.45Å; I915-I919 HydrophobicContact CG2-CD1 3.95Å; I915-I919 WeakPolarHBondContact O-CD1 3.42Å; I915-I919 WeakPolarHBondContact O-CG1 3.38Å; I915-I919 PolarHBondContact O-N 3.34Å; I915-I919 VanDerWaalsContact O-N 3.15Å; I916-I919 WeakPolarHBondContact O-CB 3.36Å; I916-I919 PolarHBondContact O-N 3.38Å; I919-L922 PolarHBondContact O-N 2.78Å; I919-L923 HydrophobicContact CG2-CD1 4.15Å; I919-L923 WeakPolarHBondContact O-CB 3.28Å; I919-L923 WeakPolarHBondContact O-CD1 3.25Å; I919-L923 WeakPolarHBondContact O-CG 3.4Å; I919-L923 PolarHBondContact O-N 3.17Å; I919-C981 HydrophobicContact CD1-CB 3.96Å; I919-C981 HydrophobicContact CG2-CB 4.23Å |
| 920 | E | 86.6 | Confident | 85.1 | Confident | 66 Ų | 66 | 37.7 Ų | 37.7 | 31% | 0.308 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.6 | -43.3 | 173.4 | -63.8 | 171.3 | 154.4 | 0 | 0 | 112.1 | I916 R917 L923 S924 H984 L1002 | I916-E920 WeakPolarHBondContact O-CG 3.32Å; I916-E920 PolarHBondContact O-N 3.07Å; R917-E920 PolarHBondContact O-N 3.08Å; E920-L923 PolarHBondContact O-N 3.45Å; E920-S924 PolarHBondContact O-N 3.32Å; E920-H984 IonicContact OE1-CD2 3.59Å; E920-H984 IonicContact OE1-NE2 2.68Å; E920-L1002 HydrophobicContact CB-CD1 3.88Å; E920-L1002 HydrophobicContact CB-CD2 4.23Å; E920-L1002 HydrophobicContact CG-CD1 4.09Å |
| 921 | E | 87.4 | Confident | 85 | Confident | 84 Ų | 84 | 35 Ų | 35 | 39% | 0.393 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.9 | -48.2 | 174.7 | -176.2 | 175.8 | -167 | 0 | 0 | 112.1 | L839 R917 L923 S924 L925 | L839-E921 HydrophobicContact CD1-CG 4.43Å; R917-E921 WeakPolarHBondContact O-CB 3.43Å; R917-E921 PolarHBondContact O-N 3.34Å; E921-L923 PolarHBondContact O-N 2.77Å; E921-S924 PolarHBondContact O-N 2.98Å; E921-L925 HydrophobicContact CG-CD1 4.37Å; E921-L925 WeakPolarHBondContact O-CG 3.44Å; E921-L925 PolarHBondContact O-N 2.91Å |
| 922 | L | 90.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.6 | -47.7 | 175 | 176.9 | 153.9 | 0 | 0 | 0 | 111.3 | L839 F861 A864 L868 T918 I919 S924 L925 M926 I976 | L839-L922 HydrophobicContact CD1-CB 3.89Å; L839-L922 HydrophobicContact CD2-CB 3.97Å; L839-L922 HydrophobicContact CD2-CD1 4.13Å; L839-L922 HydrophobicContact CD2-CG 3.98Å; F861-L922 HydrophobicContact CD1-CG 4.25Å; F861-L922 HydrophobicContact CE1-CG 4.33Å; A864-L922 HydrophobicContact CB-CD1 4.01Å; L868-L922 HydrophobicContact CD1-CB 4.41Å; L868-L922 HydrophobicContact CD1-CD1 3.7Å; T918-L922 VanDerWaalsContact O-CB 3.3Å; T918-L922 WeakPolarHBondContact O-CB 3.45Å; T918-L922 PolarHBondContact O-N 2.82Å; I919-L922 PolarHBondContact O-N 2.78Å; L922-S924 PolarHBondContact O-N 3.03Å; L922-L925 PolarHBondContact O-N 3.39Å; L922-M926 HydrophobicContact CD2-CG 4.05Å; L922-M926 HydrophobicContact CD2-SD 3.36Å; L922-M926 WeakPolarHBondContact CD2-SD 3.3Å; L922-M926 HydrophobicContact CG-SD 4.34Å; L922-M926 WeakPolarHBondContact O-CG 3.3Å; L922-M926 PolarHBondContact O-N 3.06Å; L922-I976 HydrophobicContact CD1-CD1 3.84Å; L922-I976 HydrophobicContact CD2-CD1 3.42Å; L922-I976 VanDerWaalsContact CD2-CD1 3.42Å; L922-I976 HydrophobicContact CG-CD1 4.33Å |
| 923 | L | 87 | Confident | 84.2 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64 | -39.8 | -179.8 | -71.9 | 168.2 | 0 | 0 | 0 | 112.2 | I919 E920 E921 L925 M926 D927 L973 L982 L1001 L1002 F1008 | I919-L923 HydrophobicContact CG2-CD1 4.15Å; I919-L923 WeakPolarHBondContact O-CB 3.28Å; I919-L923 WeakPolarHBondContact O-CD1 3.25Å; I919-L923 WeakPolarHBondContact O-CG 3.4Å; I919-L923 PolarHBondContact O-N 3.17Å; E920-L923 PolarHBondContact O-N 3.45Å; E921-L923 PolarHBondContact O-N 2.77Å; L923-L925 VanDerWaalsContact C-N 3.32Å; L923-L925 PolarHBondContact O-N 3.21Å; L923-M926 PolarHBondContact O-N 2.92Å; L923-D927 PolarHBondContact O-N 3.33Å; L923-L973 HydrophobicContact CD2-CD2 3.71Å; L923-L982 HydrophobicContact CD1-CD2 3.59Å; L923-L982 HydrophobicContact CD2-CD2 4.22Å; L923-L982 HydrophobicContact CG-CD2 4.45Å; L923-L1001 HydrophobicContact CD2-CD1 4.5Å; L923-L1002 HydrophobicContact CB-CD1 3.9Å; L923-L1002 HydrophobicContact CD1-CD1 3.96Å; L923-F1008 HydrophobicContact CD2-CD2 4.41Å; L923-F1008 HydrophobicContact CD2-CE2 3.77Å |
| 924 | S | 84.8 | Confident | 83.6 | Confident | 76 Ų | 76 | 36.6 Ų | 36.6 | 53% | 0.531 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.1 | -40 | 175.1 | -168.3 | 0 | 0 | 0 | 0 | 111.8 | E920 E921 L922 | E920-S924 PolarHBondContact O-N 3.32Å; E921-S924 PolarHBondContact O-N 2.98Å; L922-S924 PolarHBondContact O-N 3.03Å |
| 925 | L | 86.1 | Confident | 82.8 | Confident | 59 Ų | 59 | 38.3 Ų | 38.3 | 31% | 0.309 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -69.8 | -42.6 | 177 | -70.9 | 164.9 | 0 | 0 | 0 | 111.4 | L839 L842 F861 E921 L922 L923 D927 A928 F929 | L839-L925 HydrophobicContact CB-CD1 3.89Å; L839-L925 HydrophobicContact CD2-CD1 4.18Å; L839-L925 HydrophobicContact CG-CD1 4.45Å; L842-L925 HydrophobicContact CD1-CB 4.41Å; L842-L925 HydrophobicContact CD1-CD1 4.3Å; F861-L925 HydrophobicContact CE1-CB 4.31Å; F861-L925 HydrophobicContact CZ-CB 4.12Å; E921-L925 HydrophobicContact CG-CD1 4.37Å; E921-L925 WeakPolarHBondContact O-CG 3.44Å; E921-L925 PolarHBondContact O-N 2.91Å; L922-L925 PolarHBondContact O-N 3.39Å; L923-L925 VanDerWaalsContact C-N 3.32Å; L923-L925 PolarHBondContact O-N 3.21Å; L925-D927 VanDerWaalsContact C-N 3.29Å; L925-D927 PolarHBondContact O-N 3.41Å; L925-A928 PolarHBondContact O-N 2.92Å; L925-F929 VanDerWaalsContact O-CD2 3.27Å; L925-F929 WeakPolarHBondContact O-CD2 3.4Å |
| 926 | M | 87.2 | Confident | 82 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.5 | -36.1 | 179 | -73 | -175.6 | 96.7 | 0 | 0 | 113.3 | F861 L922 L923 A928 F929 L930 L969 A972 L973 L1001 | F861-M926 HydrophobicContact CD1-CE 4.45Å; F861-M926 HydrophobicContact CD1-CG 3.61Å; F861-M926 HydrophobicContact CD1-SD 4.24Å; F861-M926 HydrophobicContact CE1-CB 4.33Å; F861-M926 HydrophobicContact CE1-CG 3.23Å; F861-M926 HydrophobicContact CE1-SD 4.39Å; F861-M926 HydrophobicContact CE2-CG 4.48Å; F861-M926 HydrophobicContact CG-CG 4.39Å; F861-M926 HydrophobicContact CZ-CB 4.45Å; F861-M926 HydrophobicContact CZ-CG 3.71Å; L922-M926 HydrophobicContact CD2-CG 4.05Å; L922-M926 HydrophobicContact CD2-SD 3.36Å; L922-M926 WeakPolarHBondContact CD2-SD 3.3Å; L922-M926 HydrophobicContact CG-SD 4.34Å; L922-M926 WeakPolarHBondContact O-CG 3.3Å; L922-M926 PolarHBondContact O-N 3.06Å; L923-M926 PolarHBondContact O-N 2.92Å; M926-A928 VanDerWaalsContact C-N 3.25Å; M926-A928 PolarHBondContact O-N 2.78Å; M926-F929 PolarHBondContact O-N 3.33Å; M926-F929 VanDerWaalsContact O-N 3.13Å; M926-L930 HydrophobicContact CB-CD1 4.34Å; M926-L930 VanDerWaalsContact O-CG 3.32Å; M926-L930 WeakPolarHBondContact O-CG 3.3Å; M926-L930 PolarHBondContact O-N 2.88Å; M926-L969 HydrophobicContact CE-CB 3.78Å; M926-L969 HydrophobicContact CE-CD2 3.6Å; M926-L969 HydrophobicContact CE-CG 4.3Å; M926-L969 WeakPolarHBondContact CE-O 3.44Å; M926-L969 HydrophobicContact CG-CD2 4.37Å; M926-A972 HydrophobicContact CE-CB 4.14Å; M926-L973 HydrophobicContact CE-CD1 4.37Å; M926-L973 HydrophobicContact CE-CD2 4.06Å; M926-L973 HydrophobicContact CE-CG 3.76Å; M926-L973 HydrophobicContact SD-CD2 3.64Å; M926-L973 HydrophobicContact SD-CG 4.03Å; M926-L1001 HydrophobicContact CB-CD1 4.21Å |
| 927 | D | 83.2 | Confident | 81 | Confident | 26 Ų | 26 | 38.6 Ų | 38.6 | 14% | 0.139 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.8 | -33.7 | -176 | -154.7 | -0.7 | 0 | 0 | 0 | 112.6 | L923 L925 L930 S1000 L1001 R1011 | L923-D927 PolarHBondContact O-N 3.33Å; L925-D927 VanDerWaalsContact C-N 3.29Å; L925-D927 PolarHBondContact O-N 3.41Å; D927-L930 PolarHBondContact O-N 3.34Å; D927-S1000 WeakPolarHBondContact OD2-CA 3.46Å; D927-S1000 VanDerWaalsContact OD2-CB 3.24Å; D927-S1000 WeakPolarHBondContact OD2-CB 3.3Å; D927-L1001 HydrophobicContact CB-CB 4.39Å; D927-L1001 HydrophobicContact CB-CD1 3.99Å; D927-L1001 HydrophobicContact CB-CG 4.08Å; D927-L1001 PolarHBondContact OD2-N 3.19Å; D927-R1011 PolarHBondContact O-NH2 3.12Å; D927-R1011 IonicContact OD1-CZ 2.74Å; D927-R1011 IonicContact OD1-NE 3.37Å; D927-R1011 PolarHBondContact OD1-NE 2.76Å; D927-R1011 IonicContact OD1-NH2 3.54Å; D927-R1011 PolarHBondContact OD1-NH2 3.4Å |
| 928 | A | 81.6 | Confident | 79.3 | Confident | 35 Ų | 35 | 37.3 Ų | 37.3 | 29% | 0.289 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69.3 | -36.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L925 M926 F954 | L925-A928 PolarHBondContact O-N 2.92Å; M926-A928 VanDerWaalsContact C-N 3.25Å; M926-A928 PolarHBondContact O-N 2.78Å; A928-F954 HydrophobicContact CB-CD2 4.12Å; A928-F954 HydrophobicContact CB-CE2 3.79Å; A928-F954 WeakPolarHBondContact O-CD2 3.42Å |
| 929 | F | 85.5 | Confident | 77.3 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 1% | 0.013 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -77.7 | -18.3 | 175.2 | -67.2 | -80.8 | 0 | 0 | 0 | 113 | L842 I849 V857 F861 L925 M926 V931 F954 Y956 L969 | L842-F929 HydrophobicContact CB-CE2 4.47Å; L842-F929 HydrophobicContact CB-CZ 4.34Å; L842-F929 HydrophobicContact CD1-CE2 4.33Å; I849-F929 HydrophobicContact CD1-CD1 3.53Å; I849-F929 HydrophobicContact CD1-CE1 3.62Å; V857-F929 HydrophobicContact CG1-CD1 4.15Å; V857-F929 HydrophobicContact CG1-CE1 4.2Å; V857-F929 HydrophobicContact CG1-CG 4.49Å; V857-F929 HydrophobicContact CG2-CE1 3.95Å; V857-F929 HydrophobicContact CG2-CZ 4.28Å; F861-F929 AromaticContact CE2-CD2 3.58Å; F861-F929 HydrophobicContact CE2-CD2 3.58Å; F861-F929 AromaticContact CE2-CE2 3.79Å; F861-F929 HydrophobicContact CE2-CE2 3.79Å; F861-F929 HydrophobicContact CE2-CG 4.27Å; F861-F929 AromaticContact CZ-CD2 3.78Å; F861-F929 HydrophobicContact CZ-CD2 3.78Å; F861-F929 AromaticContact CZ-CE2 3.96Å; F861-F929 HydrophobicContact CZ-CE2 3.96Å; L925-F929 VanDerWaalsContact O-CD2 3.27Å; L925-F929 WeakPolarHBondContact O-CD2 3.4Å; M926-F929 PolarHBondContact O-N 3.33Å; M926-F929 VanDerWaalsContact O-N 3.13Å; F929-V931 PolarHBondContact O-N 2.69Å; F929-V931 VanDerWaalsContact O-N 3.15Å; F929-F954 HydrophobicContact CD1-CD1 4.47Å; F929-F954 AromaticContact CD1-CD2 3.92Å; F929-F954 HydrophobicContact CD1-CD2 3.92Å; F929-F954 HydrophobicContact CD1-CE1 4.46Å; F929-F954 AromaticContact CD1-CE2 3.93Å; F929-F954 HydrophobicContact CD1-CE2 3.93Å; F929-F954 HydrophobicContact CD1-CG 4.18Å; F929-F954 HydrophobicContact CD1-CZ 4.2Å; F929-F954 HydrophobicContact CD2-CE2 4.16Å; F929-F954 HydrophobicContact CE1-CD1 4.05Å; F929-F954 HydrophobicContact CE1-CD2 4.06Å; F929-F954 AromaticContact CE1-CE1 3.7Å; F929-F954 HydrophobicContact CE1-CE1 3.7Å; F929-F954 AromaticContact CE1-CE2 3.72Å; F929-F954 HydrophobicContact CE1-CE2 3.72Å; F929-F954 HydrophobicContact CE1-CG 4.2Å; F929-F954 AromaticContact CE1-CZ 3.52Å; F929-F954 HydrophobicContact CE1-CZ 3.52Å; F929-F954 AromaticContact CE2-CE2 3.95Å; F929-F954 HydrophobicContact CE2-CE2 3.95Å; F929-F954 AromaticContact CE2-CZ 3.99Å; F929-F954 HydrophobicContact CE2-CZ 3.99Å; F929-F954 HydrophobicContact CG-CD2 4.25Å; F929-F954 HydrophobicContact CG-CE2 4.14Å; F929-F954 HydrophobicContact CZ-CD2 4.5Å; F929-F954 AromaticContact CZ-CE1 3.94Å; F929-F954 HydrophobicContact CZ-CE1 3.94Å; F929-F954 AromaticContact CZ-CE2 3.72Å; F929-F954 HydrophobicContact CZ-CE2 3.72Å; F929-F954 AromaticContact CZ-CZ 3.38Å; F929-F954 HydrophobicContact CZ-CZ 3.38Å; F929-Y956 PolarHBondContact O-OH 3.28Å; F929-L969 HydrophobicContact CB-CD1 3.81Å |
| 930 | L | 83.5 | Confident | 75.2 | Confident | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -83.2 | 90.9 | -179.2 | -76.7 | 166.5 | 0 | 0 | 0 | 111.4 | M926 D927 V966 L969 L1001 R1011 Y1015 | M926-L930 HydrophobicContact CB-CD1 4.34Å; M926-L930 VanDerWaalsContact O-CG 3.32Å; M926-L930 WeakPolarHBondContact O-CG 3.3Å; M926-L930 PolarHBondContact O-N 2.88Å; D927-L930 PolarHBondContact O-N 3.34Å; L930-V966 HydrophobicContact CD2-CG1 4.29Å; L930-V966 HydrophobicContact CD2-CG2 4.48Å; L930-L969 HydrophobicContact CD2-CB 4.15Å; L930-L969 HydrophobicContact CD2-CD1 4.15Å; L930-L969 HydrophobicContact CG-CD1 4.32Å; L930-L1001 HydrophobicContact CD1-CD1 3.81Å; L930-R1011 PolarHBondContact O-NH1 3.26Å; L930-R1011 PolarHBondContact O-NH2 3.49Å; L930-Y1015 VanDerWaalsContact C-OH 3.24Å; L930-Y1015 WeakPolarHBondContact CA-OH 3.47Å; L930-Y1015 WeakPolarHBondContact CB-OH 3.22Å; L930-Y1015 HydrophobicContact CD2-CE2 4.06Å; L930-Y1015 WeakPolarHBondContact CD2-OH 3.32Å |
| 931 | V | 79 | Confident | 73 | Confident | 12 Ų | 12 | 53.8 Ų | 53.8 | 7% | 0.073 | 30% | 0.296 | C | S | . | . | trans | -62.3 | 153.7 | -174.4 | -152.3 | 0 | 0 | 0 | 0 | 113.5 | F929 Q935 Y956 V966 Y1015 | F929-V931 PolarHBondContact O-N 2.69Å; F929-V931 VanDerWaalsContact O-N 3.15Å; V931-Q935 HydrophobicContact CG1-CB 3.6Å; V931-Q935 HydrophobicContact CG1-CG 4.17Å; V931-Y956 HydrophobicContact CG2-CD2 3.68Å; V931-Y956 HydrophobicContact CG2-CE2 3.37Å; V931-V966 HydrophobicContact CG2-CG2 4.49Å; V931-Y1015 PolarHBondContact N-OH 2.76Å; V931-Y1015 PolarHBondContact O-OH 2.76Å | ||
| 932 | K | 74.8 | Confident | 70.9 | Confident | 82 Ų | 82 | 56.8 Ų | 56.8 | 36% | 0.357 | 31% | 0.314 | S | S | . | . | trans | -60.5 | 134.1 | 168.7 | -70.4 | 174.3 | 179.2 | 172 | 0 | 109.8 | S934 Q935 N951 T998 | K932-S934 VanDerWaalsContact C-N 3.26Å; K932-S934 PolarHBondContact O-N 3.41Å; K932-S934 VanDerWaalsContact O-N 3.07Å; K932-Q935 PolarHBondContact O-N 2.97Å; K932-N951 PolarHBondContact NZ-OD1 3.35Å; K932-T998 VanDerWaalsContact CE-CG2 3.46Å | ||
| 933 | P | 70.3 | Confident | 68.3 | Low | 30 Ų | 30 | 63 Ų | 63 | 20% | 0.195 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -51.8 | -35.8 | -172.5 | -29.3 | 32.5 | 0 | 0 | 0 | 115.7 | Q935 L936 S1014 Y1015 | P933-Q935 PolarHBondContact O-N 3.18Å; P933-L936 VanDerWaalsContact O-CB 3.32Å; P933-L936 WeakPolarHBondContact O-CB 3.36Å; P933-L936 PolarHBondContact O-N 3.09Å; P933-S1014 WeakPolarHBondContact CG-O 3.49Å; P933-Y1015 HydrophobicContact CG-CD1 4.28Å |
| 934 | S | 68.3 | Low | 65.8 | Low | 73 Ų | 73 | 70.9 Ų | 70.9 | 51% | 0.51 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -55.5 | -33.2 | 176.7 | 51.4 | 0 | 0 | 0 | 0 | 113.7 | K932 L936 V937 D938 | K932-S934 VanDerWaalsContact C-N 3.26Å; K932-S934 PolarHBondContact O-N 3.41Å; K932-S934 VanDerWaalsContact O-N 3.07Å; S934-L936 VanDerWaalsContact C-N 3.27Å; S934-L936 PolarHBondContact O-N 3.46Å; S934-V937 PolarHBondContact O-N 3.45Å; S934-D938 PolarHBondContact O-N 3.4Å |
| 935 | Q | 70.1 | Confident | 63.5 | Low | 87 Ų | 87 | 72.5 Ų | 72.5 | 41% | 0.407 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -79.7 | -3.8 | 179.8 | -57.6 | -174.7 | 2.4 | 0 | 0 | 113.5 | V931 K932 P933 V937 | V931-Q935 HydrophobicContact CG1-CB 3.6Å; V931-Q935 HydrophobicContact CG1-CG 4.17Å; K932-Q935 PolarHBondContact O-N 2.97Å; P933-Q935 PolarHBondContact O-N 3.18Å; Q935-V937 VanDerWaalsContact C-N 3.25Å |
| 936 | L | 70 | Confident | 61 | Low | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -78.2 | -12.3 | 167.9 | -63 | 178.2 | 0 | 0 | 0 | 112.8 | P933 S934 Q963 V966 Y1015 V1033 | P933-L936 VanDerWaalsContact O-CB 3.32Å; P933-L936 WeakPolarHBondContact O-CB 3.36Å; P933-L936 PolarHBondContact O-N 3.09Å; S934-L936 VanDerWaalsContact C-N 3.27Å; S934-L936 PolarHBondContact O-N 3.46Å; L936-Q963 HydrophobicContact CB-CG 4.35Å; L936-Q963 HydrophobicContact CD2-CG 4.13Å; L936-Q963 PolarHBondContact O-NE2 3.24Å; L936-V966 HydrophobicContact CD2-CG2 4.19Å; L936-Y1015 HydrophobicContact CD1-CD1 3.88Å; L936-Y1015 HydrophobicContact CD1-CE1 3.92Å; L936-V1033 HydrophobicContact CD1-CG1 4.05Å; L936-V1033 HydrophobicContact CD1-CG2 4.41Å |
| 937 | V | 63.2 | Low | 58.5 | Low | 40 Ų | 40 | 85.9 Ų | 85.9 | 24% | 0.242 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -41.9 | -171.1 | 178 | 0 | 0 | 0 | 0 | 112.2 | S934 Q935 S939 Y1030 | S934-V937 PolarHBondContact O-N 3.45Å; Q935-V937 VanDerWaalsContact C-N 3.25Å; V937-S939 PolarHBondContact O-N 3.26Å; V937-Y1030 HydrophobicContact CG2-CD1 4.04Å; V937-Y1030 HydrophobicContact CG2-CE1 3.91Å |
| 938 | D | 49.8 | Very low | 56.1 | Low | 104 Ų | 104 | 91.4 Ų | 91.4 | 56% | 0.556 | 49% | 0.492 | S | S | * | . | trans | -72.3 | 115.6 | -176.2 | -82.5 | -28.4 | 0 | 0 | 0 | 112.8 | S934 L940 | S934-D938 PolarHBondContact O-N 3.4Å; D938-L940 HydrophobicContact CB-CG 4.37Å; D938-L940 PolarHBondContact O-N 3.11Å | ||
| 939 | S | 48.1 | Very low | 54.1 | Low | 102 Ų | 102 | 94.7 Ų | 94.7 | 71% | 0.713 | 51% | 0.509 | S | S | * | . | trans | -75.2 | 73.3 | 163.6 | 58.3 | 0 | 0 | 0 | 0 | 109.6 | V937 K941 | V937-S939 PolarHBondContact O-N 3.26Å; S939-K941 PolarHBondContact O-N 2.99Å | ||
| 940 | L | 42 | Very low | 51.8 | Low | 132 Ų | 132 | 103.6 Ų | 103.6 | 69% | 0.691 | 55% | 0.551 | S | S | * | * | trans | -57.1 | 105.7 | 178.2 | -86.6 | 169.2 | 0 | 0 | 0 | 110.6 | D938 I942 | D938-L940 HydrophobicContact CB-CG 4.37Å; D938-L940 PolarHBondContact O-N 3.11Å; L940-I942 PolarHBondContact O-N 3.19Å | ||
| 941 | K | 41.1 | Very low | 49.8 | Very low | 179 Ų | 179 | 107.1 Ų | 107.1 | 78% | 0.778 | 57% | 0.569 | S | S | * | * | trans | -63.1 | 118.4 | 166.6 | -70.4 | 179.2 | 178.8 | 176.4 | 0 | 107.9 | S939 N943 | S939-K941 PolarHBondContact O-N 2.99Å; K941-N943 PolarHBondContact O-N 3.02Å | ||
| 942 | I | 42.4 | Very low | 48.3 | Very low | 147 Ų | 147 | 114.6 Ų | 114.6 | 75% | 0.754 | 61% | 0.609 | S | S | * | * | trans | -71 | 78.9 | 178.8 | -53.5 | 175 | 0 | 0 | 0 | 109.1 | L940 | L940-I942 PolarHBondContact O-N 3.19Š| ||
| 943 | N | 36.2 | Very low | 47.4 | Very low | 130 Ų | 130 | 112.9 Ų | 112.9 | 70% | 0.695 | 61% | 0.614 | S | S | * | * | trans | -103.2 | 129.3 | 172 | -83.8 | 3 | 0 | 0 | 0 | 109.1 | K941 T945 | K941-N943 PolarHBondContact O-N 3.02Å; N943-T945 PolarHBondContact O-N 3.47Å | ||
| 944 | N | 34.1 | Very low | 47.2 | Very low | 167 Ų | 167 | 112 Ų | 112 | 89% | 0.893 | 61% | 0.607 | S | S | * | * | trans | -66.6 | 95.3 | -173.9 | -72.8 | -46.4 | 0 | 0 | 0 | 113.3 | ||||
| 945 | T | 37.4 | Very low | 47.3 | Very low | 110 Ų | 110 | 112 Ų | 112 | 68% | 0.675 | 61% | 0.607 | S | S | * | * | trans | -129.6 | 113.8 | 161.2 | 47.9 | 0 | 0 | 0 | 0 | 110.2 | N943 N947 | N943-T945 PolarHBondContact O-N 3.47Å; T945-N947 PolarHBondContact O-N 3.07Å | ||
| 946 | K | 33.3 | Very low | 47.7 | Very low | 210 Ų | 210 | 109.2 Ų | 109.2 | 91% | 0.913 | 59% | 0.593 | S | S | * | * | trans | -74.4 | 63.6 | 177.4 | -68.7 | -176.9 | 175.7 | -178.6 | 0 | 111.7 | T948 | K946-T948 PolarHBondContact O-N 2.94Š| ||
| 947 | N | 33.5 | Very low | 48.1 | Very low | 129 Ų | 129 | 112.3 Ų | 112.3 | 69% | 0.69 | 61% | 0.611 | S | S | * | * | trans | -85.7 | 106.7 | 168.9 | -74.6 | 5.3 | 0 | 0 | 0 | 108.5 | T945 V949 | T945-N947 PolarHBondContact O-N 3.07Å; N947-V949 HydrophobicContact CB-CG2 4.41Å; N947-V949 PolarHBondContact O-N 3.09Å | ||
| 948 | T | 34 | Very low | 49 | Very low | 142 Ų | 142 | 114.7 Ų | 114.7 | 87% | 0.871 | 62% | 0.623 | S | S | * | * | trans | -63.8 | 95.8 | 169.6 | 45.6 | 0 | 0 | 0 | 0 | 109.3 | K946 | K946-T948 PolarHBondContact O-N 2.94Š| ||
| 949 | V | 39.6 | Very low | 50.4 | Low | 104 Ų | 104 | 111.7 Ų | 111.7 | 63% | 0.63 | 61% | 0.61 | S | S | * | * | trans | -112 | 114.3 | 169.7 | -170.3 | 0 | 0 | 0 | 0 | 107.5 | N947 N951 | N947-V949 HydrophobicContact CB-CG2 4.41Å; N947-V949 PolarHBondContact O-N 3.09Å; V949-N951 VanDerWaalsContact C-N 3.33Å; V949-N951 VanDerWaalsContact CG1-ND2 3.32Å; V949-N951 WeakPolarHBondContact CG1-ND2 3.48Å; V949-N951 PolarHBondContact O-N 3.3Å | ||
| 950 | E | 37.8 | Very low | 51.9 | Low | 191 Ų | 191 | 110.5 Ų | 110.5 | 89% | 0.893 | 60% | 0.602 | S | S | * | * | trans | -69.7 | 85.3 | -178.4 | -62.7 | 169 | 142.9 | 0 | 0 | 110.3 | ||||
| 951 | N | 41.3 | Very low | 53.8 | Low | 78 Ų | 78 | 105.2 Ų | 105.2 | 42% | 0.417 | 58% | 0.575 | S | S | . | * | trans | -125.4 | 109.5 | 164.7 | -73.7 | -91.9 | 0 | 0 | 0 | 108.1 | K932 V949 G953 | K932-N951 PolarHBondContact NZ-OD1 3.35Å; V949-N951 VanDerWaalsContact C-N 3.33Å; V949-N951 VanDerWaalsContact CG1-ND2 3.32Å; V949-N951 WeakPolarHBondContact CG1-ND2 3.48Å; V949-N951 PolarHBondContact O-N 3.3Å; N951-G953 PolarHBondContact O-N 2.78Å | ||
| 952 | D | 46.4 | Very low | 55.8 | Low | 170 Ų | 170 | 96.8 Ų | 96.8 | 91% | 0.909 | 54% | 0.539 | S | S | * | . | trans | -74.5 | 60.1 | 176.7 | -60 | -57.4 | 0 | 0 | 0 | 112.2 | ||||
| 953 | G | 56.8 | Low | 57.9 | Low | 45 Ų | 45 | 92.2 Ų | 92.2 | 46% | 0.464 | 51% | 0.514 | S | S | . | . | trans | -132.8 | 151.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N951 | N951-G953 PolarHBondContact O-N 2.78Š| ||
| 954 | F | 66.3 | Low | 60.1 | Low | 11 Ų | 11 | 88 Ų | 88 | 5% | 0.048 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 142.2 | 176.6 | -70.9 | -97.3 | 0 | 0 | 0 | 111.9 | P843 S844 P845 S847 I849 A928 F929 Y956 | P843-F954 HydrophobicContact CB-CE1 4.29Å; P843-F954 WeakPolarHBondContact O-CZ 3.46Å; S844-F954 WeakPolarHBondContact O-CE1 3.28Å; P845-F954 HydrophobicContact CB-CE2 4.33Å; P845-F954 HydrophobicContact CB-CZ 4.25Å; S847-F954 WeakPolarHBondContact O-CD1 3.47Å; S847-F954 WeakPolarHBondContact OG-CE1 3.4Å; I849-F954 HydrophobicContact CD1-CB 3.62Å; I849-F954 HydrophobicContact CD1-CD1 3.64Å; I849-F954 HydrophobicContact CD1-CE1 4.41Å; I849-F954 HydrophobicContact CD1-CG 3.77Å; I849-F954 HydrophobicContact CG1-CB 4.3Å; I849-F954 HydrophobicContact CG1-CD1 3.92Å; I849-F954 HydrophobicContact CG1-CG 4.45Å; A928-F954 HydrophobicContact CB-CD2 4.12Å; A928-F954 HydrophobicContact CB-CE2 3.79Å; A928-F954 WeakPolarHBondContact O-CD2 3.42Å; F929-F954 HydrophobicContact CD1-CD1 4.47Å; F929-F954 AromaticContact CD1-CD2 3.92Å; F929-F954 HydrophobicContact CD1-CD2 3.92Å; F929-F954 HydrophobicContact CD1-CE1 4.46Å; F929-F954 AromaticContact CD1-CE2 3.93Å; F929-F954 HydrophobicContact CD1-CE2 3.93Å; F929-F954 HydrophobicContact CD1-CG 4.18Å; F929-F954 HydrophobicContact CD1-CZ 4.2Å; F929-F954 HydrophobicContact CD2-CE2 4.16Å; F929-F954 HydrophobicContact CE1-CD1 4.05Å; F929-F954 HydrophobicContact CE1-CD2 4.06Å; F929-F954 AromaticContact CE1-CE1 3.7Å; F929-F954 HydrophobicContact CE1-CE1 3.7Å; F929-F954 AromaticContact CE1-CE2 3.72Å; F929-F954 HydrophobicContact CE1-CE2 3.72Å; F929-F954 HydrophobicContact CE1-CG 4.2Å; F929-F954 AromaticContact CE1-CZ 3.52Å; F929-F954 HydrophobicContact CE1-CZ 3.52Å; F929-F954 AromaticContact CE2-CE2 3.95Å; F929-F954 HydrophobicContact CE2-CE2 3.95Å; F929-F954 AromaticContact CE2-CZ 3.99Å; F929-F954 HydrophobicContact CE2-CZ 3.99Å; F929-F954 HydrophobicContact CG-CD2 4.25Å; F929-F954 HydrophobicContact CG-CE2 4.14Å; F929-F954 HydrophobicContact CZ-CD2 4.5Å; F929-F954 AromaticContact CZ-CE1 3.94Å; F929-F954 HydrophobicContact CZ-CE1 3.94Å; F929-F954 AromaticContact CZ-CE2 3.72Å; F929-F954 HydrophobicContact CZ-CE2 3.72Å; F929-F954 AromaticContact CZ-CZ 3.38Å; F929-F954 HydrophobicContact CZ-CZ 3.38Å; F954-Y956 HydrophobicContact CB-CE2 4.38Å |
| 955 | C | 69.4 | Low | 62.7 | Low | 75 Ų | 75 | 80.1 Ų | 80.1 | 51% | 0.507 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 130.5 | 172.9 | -168.5 | 0 | 0 | 0 | 0 | 110.3 | V848 I849 | V848-C955 CarbonylContact C-O 3.59Å; V848-C955 WeakPolarHBondContact CA-O 3.29Å; I849-C955 PolarHBondContact N-O 3.3Å |
| 956 | Y | 79.2 | Confident | 65.1 | Low | 28 Ų | 28 | 74.9 Ų | 74.9 | 11% | 0.11 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 141.5 | -179.8 | -76.7 | -94.5 | 0 | 0 | 0 | 111.4 | I849 F929 V931 F954 N958 V961 T965 | I849-Y956 HydrophobicContact CB-CD1 3.83Å; I849-Y956 HydrophobicContact CB-CE1 3.89Å; I849-Y956 HydrophobicContact CB-CG 4.38Å; I849-Y956 HydrophobicContact CD1-CD1 4.36Å; I849-Y956 HydrophobicContact CD1-CE1 3.73Å; I849-Y956 HydrophobicContact CD1-CE2 3.93Å; I849-Y956 VanDerWaalsContact CD1-CZ 3.49Å; I849-Y956 HydrophobicContact CG1-CE1 4.43Å; I849-Y956 HydrophobicContact CG2-CD1 3.83Å; I849-Y956 HydrophobicContact CG2-CE1 3.64Å; F929-Y956 PolarHBondContact O-OH 3.28Å; V931-Y956 HydrophobicContact CG2-CD2 3.68Å; V931-Y956 HydrophobicContact CG2-CE2 3.37Å; F954-Y956 HydrophobicContact CB-CE2 4.38Å; Y956-N958 PolarHBondContact O-N 2.91Å; Y956-V961 HydrophobicContact CD1-CG1 4.21Å; Y956-T965 HydrophobicContact CE1-CG2 4Å; Y956-T965 WeakPolarHBondContact CE1-OG1 3.46Å |
| 957 | V | 78.9 | Confident | 67.8 | Low | 64 Ų | 64 | 66.3 Ų | 66.3 | 39% | 0.388 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -65.7 | -36.9 | -178.7 | 172.1 | 0 | 0 | 0 | 0 | 113 | V848 I849 D850 | V848-V957 HydrophobicContact CG1-CG2 3.77Å; I849-V957 WeakPolarHBondContact O-CG2 3.37Å; I849-V957 PolarHBondContact O-N 2.83Å; D850-V957 HydrophobicContact CB-CG2 4.13Å |
| 958 | N | 80.9 | Confident | 70.4 | Confident | 90 Ų | 90 | 60.8 Ų | 60.8 | 48% | 0.481 | 36% | 0.36 | S | S | . | . | trans | -139.8 | 146.3 | -177.2 | -74.5 | -38 | 0 | 0 | 0 | 111.3 | Y956 S960 V961 S962 | Y956-N958 PolarHBondContact O-N 2.91Å; N958-S960 VanDerWaalsContact C-N 3.25Å; N958-S960 PolarHBondContact O-N 3.26Å; N958-V961 HydrophobicContact CB-CB 4.23Å; N958-V961 HydrophobicContact CB-CG2 3.92Å; N958-V961 WeakPolarHBondContact O-CB 3.45Å; N958-V961 PolarHBondContact O-N 2.93Å; N958-S962 PolarHBondContact O-N 3.39Å | ||
| 959 | S | 78.9 | Confident | 73.1 | Confident | 42 Ų | 42 | 54 Ų | 54 | 29% | 0.294 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.2 | -31 | 172.2 | 55.2 | 0 | 0 | 0 | 0 | 113.3 | V961 S962 Q963 | S959-V961 VanDerWaalsContact C-N 3.32Å; S959-V961 PolarHBondContact O-N 3.39Å; S959-S962 WeakPolarHBondContact CA-OG 3.34Å; S959-S962 PolarHBondContact O-OG 3.44Å; S959-S962 VanDerWaalsContact O-OG 3.08Å; S959-Q963 WeakPolarHBondContact O-CB 3.42Å; S959-Q963 VanDerWaalsContact O-CG 3.22Å; S959-Q963 WeakPolarHBondContact O-CG 3.25Å; S959-Q963 PolarHBondContact O-N 3.43Å |
| 960 | S | 79.5 | Confident | 75.5 | Confident | 77 Ų | 77 | 49.1 Ų | 49.1 | 54% | 0.538 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.4 | -31.3 | 172.3 | 56.8 | 0 | 0 | 0 | 0 | 113.2 | N958 A964 | N958-S960 VanDerWaalsContact C-N 3.25Å; N958-S960 PolarHBondContact O-N 3.26Å; S960-A964 VanDerWaalsContact O-CB 3.31Å; S960-A964 WeakPolarHBondContact O-CB 3.48Å; S960-A964 PolarHBondContact O-N 2.86Å; S960-A964 VanDerWaalsContact O-N 3.13Å |
| 961 | V | 83.5 | Confident | 78 | Confident | 20 Ų | 20 | 41.5 Ų | 41.5 | 12% | 0.121 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -77.2 | -44.6 | 177.3 | 176.3 | 0 | 0 | 0 | 0 | 109.7 | S854 Y956 N958 S959 A964 T965 | S854-V961 VanDerWaalsContact CB-CG1 3.44Å; Y956-V961 HydrophobicContact CD1-CG1 4.21Å; N958-V961 HydrophobicContact CB-CB 4.23Å; N958-V961 HydrophobicContact CB-CG2 3.92Å; N958-V961 WeakPolarHBondContact O-CB 3.45Å; N958-V961 PolarHBondContact O-N 2.93Å; S959-V961 VanDerWaalsContact C-N 3.32Å; S959-V961 PolarHBondContact O-N 3.39Å; V961-A964 PolarHBondContact O-N 3.4Å; V961-T965 PolarHBondContact O-N 2.99Å; V961-T965 PolarHBondContact O-OG1 3.39Å |
| 962 | S | 83.5 | Confident | 80.3 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.3 | -44 | 175.3 | 65.4 | 0 | 0 | 0 | 0 | 112.1 | N958 S959 A964 T965 V966 | N958-S962 PolarHBondContact O-N 3.39Å; S959-S962 WeakPolarHBondContact CA-OG 3.34Å; S959-S962 PolarHBondContact O-OG 3.44Å; S959-S962 VanDerWaalsContact O-OG 3.08Å; S962-A964 VanDerWaalsContact C-N 3.35Å; S962-A964 PolarHBondContact O-N 3.43Å; S962-T965 WeakPolarHBondContact CA-OG1 3.19Å; S962-T965 PolarHBondContact O-N 3.4Å; S962-T965 PolarHBondContact O-OG1 3.01Å; S962-V966 WeakPolarHBondContact O-CB 3.49Å; S962-V966 VanDerWaalsContact O-CG2 3.3Å; S962-V966 WeakPolarHBondContact O-CG2 3.36Å; S962-V966 PolarHBondContact O-N 2.89Å |
| 963 | Q | 84.5 | Confident | 82.4 | Confident | 51 Ų | 51 | 29.7 Ų | 29.7 | 24% | 0.238 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.7 | -41.7 | 173.1 | -73.4 | -179.4 | 21.5 | 0 | 0 | 112.2 | L936 S959 V967 V1033 | L936-Q963 HydrophobicContact CB-CG 4.35Å; L936-Q963 HydrophobicContact CD2-CG 4.13Å; L936-Q963 PolarHBondContact O-NE2 3.24Å; S959-Q963 WeakPolarHBondContact O-CB 3.42Å; S959-Q963 VanDerWaalsContact O-CG 3.22Å; S959-Q963 WeakPolarHBondContact O-CG 3.25Å; S959-Q963 PolarHBondContact O-N 3.43Å; Q963-V967 WeakPolarHBondContact O-CB 3.31Å; Q963-V967 VanDerWaalsContact O-CG2 3.29Å; Q963-V967 WeakPolarHBondContact O-CG2 3.49Å; Q963-V967 PolarHBondContact O-N 2.89Å; Q963-V1033 HydrophobicContact CB-CG2 4.24Å; Q963-V1033 HydrophobicContact CG-CG2 4.23Å |
| 964 | A | 84.3 | Confident | 83.9 | Confident | 42 Ų | 42 | 28.7 Ų | 28.7 | 35% | 0.347 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -67.9 | -40.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | S960 V961 S962 A968 | S960-A964 VanDerWaalsContact O-CB 3.31Å; S960-A964 WeakPolarHBondContact O-CB 3.48Å; S960-A964 PolarHBondContact O-N 2.86Å; S960-A964 VanDerWaalsContact O-N 3.13Å; V961-A964 PolarHBondContact O-N 3.4Å; S962-A964 VanDerWaalsContact C-N 3.35Å; S962-A964 PolarHBondContact O-N 3.43Å; A964-A968 PolarHBondContact O-N 3.38Å; A964-A968 VanDerWaalsContact O-N 3.16Å |
| 965 | T | 86.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.7 | -46.6 | 172.2 | 39.3 | 0 | 0 | 0 | 0 | 111.9 | Q858 Y956 V961 S962 V967 A968 L969 | Q858-T965 HydrophobicContact CG-CG2 3.99Å; Y956-T965 HydrophobicContact CE1-CG2 4Å; Y956-T965 WeakPolarHBondContact CE1-OG1 3.46Å; V961-T965 PolarHBondContact O-N 2.99Å; V961-T965 PolarHBondContact O-OG1 3.39Å; S962-T965 WeakPolarHBondContact CA-OG1 3.19Å; S962-T965 PolarHBondContact O-N 3.4Å; S962-T965 PolarHBondContact O-OG1 3.01Å; T965-V967 VanDerWaalsContact C-N 3.32Å; T965-V967 PolarHBondContact O-N 2.78Å; T965-A968 PolarHBondContact O-N 2.96Å; T965-A968 VanDerWaalsContact O-N 3.1Å; T965-L969 WeakPolarHBondContact O-CB 3.26Å; T965-L969 VanDerWaalsContact O-CG 3.23Å; T965-L969 WeakPolarHBondContact O-CG 3.28Å; T965-L969 PolarHBondContact O-N 2.8Å |
| 966 | V | 89.4 | Confident | 85.7 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.8 | -39 | -178.8 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | L930 V931 L936 S962 L969 L970 Y1015 V1033 | L930-V966 HydrophobicContact CD2-CG1 4.29Å; L930-V966 HydrophobicContact CD2-CG2 4.48Å; V931-V966 HydrophobicContact CG2-CG2 4.49Å; L936-V966 HydrophobicContact CD2-CG2 4.19Å; S962-V966 WeakPolarHBondContact O-CB 3.49Å; S962-V966 VanDerWaalsContact O-CG2 3.3Å; S962-V966 WeakPolarHBondContact O-CG2 3.36Å; S962-V966 PolarHBondContact O-N 2.89Å; V966-L969 PolarHBondContact O-N 2.77Å; V966-L970 HydrophobicContact CG1-CD1 3.86Å; V966-L970 HydrophobicContact CG1-CG 4.4Å; V966-L970 WeakPolarHBondContact O-CB 3.47Å; V966-L970 VanDerWaalsContact O-CG 3.24Å; V966-L970 WeakPolarHBondContact O-CG 3.35Å; V966-L970 PolarHBondContact O-N 3.15Å; V966-Y1015 HydrophobicContact CG1-CD1 4.25Å; V966-Y1015 HydrophobicContact CG1-CE1 3.74Å; V966-V1033 HydrophobicContact CG1-CG1 3.92Å |
| 967 | V | 88.9 | Confident | 86 | Confident | 30 Ų | 30 | 23.5 Ų | 23.5 | 18% | 0.182 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.3 | -54.7 | 169.3 | 168.2 | 0 | 0 | 0 | 0 | 110.7 | Q963 T965 L969 L970 E971 R1032 V1033 A1036 | Q963-V967 WeakPolarHBondContact O-CB 3.31Å; Q963-V967 VanDerWaalsContact O-CG2 3.29Å; Q963-V967 WeakPolarHBondContact O-CG2 3.49Å; Q963-V967 PolarHBondContact O-N 2.89Å; T965-V967 VanDerWaalsContact C-N 3.32Å; T965-V967 PolarHBondContact O-N 2.78Å; V967-L969 VanDerWaalsContact C-N 3.28Å; V967-L969 PolarHBondContact O-N 3.17Å; V967-L970 PolarHBondContact O-N 3.47Å; V967-L970 VanDerWaalsContact O-N 3.09Å; V967-E971 HydrophobicContact CG1-CG 4.12Å; V967-E971 VanDerWaalsContact O-CG 3.27Å; V967-E971 WeakPolarHBondContact O-CG 3.44Å; V967-E971 PolarHBondContact O-N 3.19Å; V967-R1032 HydrophobicContact CG2-CB 3.97Å; V967-V1033 HydrophobicContact CG2-CB 4.46Å; V967-V1033 HydrophobicContact CG2-CG2 3.81Å; V967-A1036 HydrophobicContact CG1-CB 4.34Å |
| 968 | A | 87.9 | Confident | 86.2 | Confident | 13 Ų | 13 | 21.2 Ų | 21.2 | 11% | 0.107 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.1 | -32.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q858 M862 A964 T965 A972 | Q858-A968 HydrophobicContact CB-CB 4.12Å; Q858-A968 HydrophobicContact CG-CB 3.69Å; M862-A968 WeakPolarHBondContact CE-O 3.43Å; A964-A968 PolarHBondContact O-N 3.38Å; A964-A968 VanDerWaalsContact O-N 3.16Å; T965-A968 PolarHBondContact O-N 2.96Å; T965-A968 VanDerWaalsContact O-N 3.1Å; A968-A972 WeakPolarHBondContact O-CB 3.32Å; A968-A972 PolarHBondContact O-N 3.37Å |
| 969 | L | 90.8 | Very high | 86 | Confident | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67.3 | -44 | 173.1 | -68.2 | 168.8 | 0 | 0 | 0 | 110.9 | F861 M926 F929 L930 T965 V966 V967 A972 L973 | F861-L969 HydrophobicContact CB-CD2 4.1Å; F861-L969 HydrophobicContact CD1-CD2 4.48Å; F861-L969 HydrophobicContact CD2-CD2 3.34Å; F861-L969 HydrophobicContact CE2-CD2 3.75Å; F861-L969 HydrophobicContact CG-CD2 3.74Å; F861-L969 HydrophobicContact CZ-CD2 4.48Å; M926-L969 HydrophobicContact CE-CB 3.78Å; M926-L969 HydrophobicContact CE-CD2 3.6Å; M926-L969 HydrophobicContact CE-CG 4.3Å; M926-L969 WeakPolarHBondContact CE-O 3.44Å; M926-L969 HydrophobicContact CG-CD2 4.37Å; F929-L969 HydrophobicContact CB-CD1 3.81Å; L930-L969 HydrophobicContact CD2-CB 4.15Å; L930-L969 HydrophobicContact CD2-CD1 4.15Å; L930-L969 HydrophobicContact CG-CD1 4.32Å; T965-L969 WeakPolarHBondContact O-CB 3.26Å; T965-L969 VanDerWaalsContact O-CG 3.23Å; T965-L969 WeakPolarHBondContact O-CG 3.28Å; T965-L969 PolarHBondContact O-N 2.8Å; V966-L969 PolarHBondContact O-N 2.77Å; V967-L969 VanDerWaalsContact C-N 3.28Å; V967-L969 PolarHBondContact O-N 3.17Å; L969-A972 PolarHBondContact O-N 3.46Å; L969-L973 WeakPolarHBondContact O-CG 3.46Å; L969-L973 PolarHBondContact O-N 3.25Å |
| 970 | L | 90.8 | Very high | 86 | Confident | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.8 | -37.4 | 175 | -71.4 | 167.3 | 0 | 0 | 0 | 112.1 | V966 V967 L973 V974 I1012 V1033 A1036 A1037 T1040 | V966-L970 HydrophobicContact CG1-CD1 3.86Å; V966-L970 HydrophobicContact CG1-CG 4.4Å; V966-L970 WeakPolarHBondContact O-CB 3.47Å; V966-L970 VanDerWaalsContact O-CG 3.24Å; V966-L970 WeakPolarHBondContact O-CG 3.35Å; V966-L970 PolarHBondContact O-N 3.15Å; V967-L970 PolarHBondContact O-N 3.47Å; V967-L970 VanDerWaalsContact O-N 3.09Å; L970-L973 CarbonylContact O-C 3.44Å; L970-L973 PolarHBondContact O-N 3.37Å; L970-V974 WeakPolarHBondContact O-CG2 3.49Å; L970-V974 PolarHBondContact O-N 3.37Å; L970-I1012 HydrophobicContact CD2-CG1 4.5Å; L970-I1012 HydrophobicContact CD2-CG2 4.23Å; L970-V1033 HydrophobicContact CD1-CG1 4.07Å; L970-A1036 HydrophobicContact CB-CB 3.77Å; L970-A1036 HydrophobicContact CD1-CB 4.06Å; L970-A1037 HydrophobicContact CD1-CB 4.07Å; L970-A1037 HydrophobicContact CD2-CB 4.39Å; L970-T1040 PolarHBondContact O-OG1 3.22Å |
| 971 | E | 89.7 | Confident | 86.1 | Confident | 31 Ų | 31 | 11.9 Ų | 11.9 | 15% | 0.145 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -67.8 | -36.6 | 172.7 | -61.1 | -69.6 | -176.8 | 0 | 0 | 111.9 | M862 V967 L973 V974 V975 R1039 | M862-E971 HydrophobicContact CE-CB 3.91Å; V967-E971 HydrophobicContact CG1-CG 4.12Å; V967-E971 VanDerWaalsContact O-CG 3.27Å; V967-E971 WeakPolarHBondContact O-CG 3.44Å; V967-E971 PolarHBondContact O-N 3.19Å; E971-L973 VanDerWaalsContact C-N 3.3Å; E971-L973 PolarHBondContact O-N 2.92Å; E971-V974 WeakPolarHBondContact O-CB 3.46Å; E971-V974 PolarHBondContact O-N 3.48Å; E971-V974 VanDerWaalsContact O-N 3.13Å; E971-V975 WeakPolarHBondContact O-CG2 3.42Å; E971-V975 PolarHBondContact O-N 2.85Å; E971-R1039 IonicContact OE1-CZ 2.68Å; E971-R1039 VanDerWaalsContact OE1-CZ 3.23Å; E971-R1039 IonicContact OE1-NH1 3.53Å; E971-R1039 PolarHBondContact OE1-NH1 2.74Å; E971-R1039 IonicContact OE1-NH2 3.11Å; E971-R1039 PolarHBondContact OE1-NH2 3.34Å; E971-R1039 IonicContact OE2-CZ 3.3Å; E971-R1039 IonicContact OE2-NH1 3.72Å; E971-R1039 PolarHBondContact OE2-NH1 2.94Å |
| 972 | A | 90.5 | Very high | 86 | Confident | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -66.1 | -33 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112 | M862 A865 M926 A968 L969 V975 I976 | M862-A972 HydrophobicContact CE-CB 4.14Å; M862-A972 HydrophobicContact SD-CB 4.13Å; A865-A972 HydrophobicContact CB-CB 3.97Å; M926-A972 HydrophobicContact CE-CB 4.14Å; A968-A972 WeakPolarHBondContact O-CB 3.32Å; A968-A972 PolarHBondContact O-N 3.37Å; L969-A972 PolarHBondContact O-N 3.46Å; A972-V975 WeakPolarHBondContact O-CB 3.44Å; A972-V975 PolarHBondContact O-N 3.47Å; A972-I976 WeakPolarHBondContact O-CG1 3.43Å; A972-I976 PolarHBondContact O-N 2.95Å; A972-I976 VanDerWaalsContact O-N 3.09Å |
| 973 | L | 90.3 | Very high | 85.6 | Confident | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -72.3 | -24.2 | 170 | -68.2 | 176.1 | 0 | 0 | 0 | 113.3 | L923 M926 L969 L970 E971 G977 F1008 I1012 T1040 | L923-L973 HydrophobicContact CD2-CD2 3.71Å; M926-L973 HydrophobicContact CE-CD1 4.37Å; M926-L973 HydrophobicContact CE-CD2 4.06Å; M926-L973 HydrophobicContact CE-CG 3.76Å; M926-L973 HydrophobicContact SD-CD2 3.64Å; M926-L973 HydrophobicContact SD-CG 4.03Å; L969-L973 WeakPolarHBondContact O-CG 3.46Å; L969-L973 PolarHBondContact O-N 3.25Å; L970-L973 CarbonylContact O-C 3.44Å; L970-L973 PolarHBondContact O-N 3.37Å; E971-L973 VanDerWaalsContact C-N 3.3Å; E971-L973 PolarHBondContact O-N 2.92Å; L973-G977 WeakPolarHBondContact O-CA 3.26Å; L973-G977 PolarHBondContact O-N 3.43Å; L973-F1008 HydrophobicContact CD1-CE2 4.42Å; L973-F1008 HydrophobicContact CD1-CZ 4.14Å; L973-F1008 HydrophobicContact CD2-CE2 4.11Å; L973-F1008 HydrophobicContact CD2-CZ 4.09Å; L973-I1012 HydrophobicContact CD1-CD1 4.15Å; L973-T1040 HydrophobicContact CB-CG2 3.35Å; L973-T1040 HydrophobicContact CD1-CG2 4.36Å; L973-T1040 HydrophobicContact CG-CG2 4.49Å |
| 974 | V | 88.5 | Confident | 85.2 | Confident | 24 Ų | 24 | 13.8 Ų | 13.8 | 15% | 0.145 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.6 | -45.6 | 168.5 | 170 | 0 | 0 | 0 | 0 | 110.2 | L970 E971 G977 R978 R1039 A1043 | L970-V974 WeakPolarHBondContact O-CG2 3.49Å; L970-V974 PolarHBondContact O-N 3.37Å; E971-V974 WeakPolarHBondContact O-CB 3.46Å; E971-V974 PolarHBondContact O-N 3.48Å; E971-V974 VanDerWaalsContact O-N 3.13Å; V974-G977 PolarHBondContact O-N 3.1Å; V974-R978 WeakPolarHBondContact O-CB 3.22Å; V974-R978 WeakPolarHBondContact O-CG 3.21Å; V974-R978 PolarHBondContact O-N 3.31Å; V974-R1039 HydrophobicContact CG2-CB 4.12Å; V974-A1043 HydrophobicContact CB-CB 4.29Å; V974-A1043 HydrophobicContact CG1-CB 4.05Å; V974-A1043 HydrophobicContact CG2-CB 4.43Å |
| 975 | V | 87 | Confident | 84.9 | Confident | 2 Ų | 2 | 12.2 Ų | 12.2 | 1% | 0.012 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61 | -45.8 | 178.5 | 172 | 0 | 0 | 0 | 0 | 111.3 | M862 A865 Y866 E869 E971 A972 R978 | M862-V975 HydrophobicContact SD-CG2 4.32Å; A865-V975 HydrophobicContact CB-CB 4.34Å; A865-V975 HydrophobicContact CB-CG1 4.02Å; Y866-V975 HydrophobicContact CD1-CG1 4.38Å; Y866-V975 HydrophobicContact CD2-CB 4.43Å; Y866-V975 HydrophobicContact CD2-CG1 3.69Å; Y866-V975 HydrophobicContact CD2-CG2 3.97Å; Y866-V975 HydrophobicContact CE2-CB 4.44Å; Y866-V975 HydrophobicContact CE2-CG1 4.08Å; Y866-V975 HydrophobicContact CE2-CG2 3.52Å; Y866-V975 HydrophobicContact CG-CG1 3.87Å; E869-V975 HydrophobicContact CB-CG1 4.32Å; E869-V975 VanDerWaalsContact OE2-CG1 3.28Å; E869-V975 WeakPolarHBondContact OE2-CG1 3.23Å; E971-V975 WeakPolarHBondContact O-CG2 3.42Å; E971-V975 PolarHBondContact O-N 2.85Å; A972-V975 WeakPolarHBondContact O-CB 3.44Å; A972-V975 PolarHBondContact O-N 3.47Å; V975-R978 WeakPolarHBondContact O-CG 3.38Å |
| 976 | I | 86.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -72.9 | -36.5 | 177.1 | -67.5 | 171 | 0 | 0 | 0 | 112 | A865 L922 A972 C981 L982 | A865-I976 HydrophobicContact CB-CD1 3.79Å; A865-I976 HydrophobicContact CB-CG1 3.8Å; L922-I976 HydrophobicContact CD1-CD1 3.84Å; L922-I976 HydrophobicContact CD2-CD1 3.42Å; L922-I976 VanDerWaalsContact CD2-CD1 3.42Å; L922-I976 HydrophobicContact CG-CD1 4.33Å; A972-I976 WeakPolarHBondContact O-CG1 3.43Å; A972-I976 PolarHBondContact O-N 2.95Å; A972-I976 VanDerWaalsContact O-N 3.09Å; I976-C981 HydrophobicContact CG2-CB 3.58Å; I976-C981 WeakPolarHBondContact O-CB 3.43Å; I976-C981 PolarHBondContact O-N 3.37Å; I976-L982 HydrophobicContact CG2-CD2 3.98Å; I976-L982 HydrophobicContact CG2-CG 4.28Å |
| 977 | G | 84 | Confident | 83.5 | Confident | 2 Ų | 2 | 19 Ų | 19 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.5 | -54.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L973 V974 A979 G980 A1043 G1047 | L973-G977 WeakPolarHBondContact O-CA 3.26Å; L973-G977 PolarHBondContact O-N 3.43Å; V974-G977 PolarHBondContact O-N 3.1Å; G977-A979 PolarHBondContact O-N 3.27Å; G977-G980 PolarHBondContact O-N 3.46Å; G977-A1043 CarbonylContact C-O 3.57Å; G977-G1047 VanDerWaalsContact O-CA 3.25Å; G977-G1047 WeakPolarHBondContact O-CA 3.27Å |
| 978 | R | 84.4 | Confident | 82.7 | Confident | 17 Ų | 17 | 19.4 Ų | 19.4 | 6% | 0.064 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.7 | -31 | -177 | 74.1 | -169.4 | -178.4 | 168.9 | -9.8 | 113.3 | E869 V974 V975 G980 A1043 M1046 R1115 H1117 | E869-R978 IonicContact OE1-CZ 3.97Å; E869-R978 IonicContact OE1-NE 2.85Å; E869-R978 PolarHBondContact OE1-NE 3.16Å; E869-R978 IonicContact OE1-NH2 2.97Å; E869-R978 PolarHBondContact OE1-NH2 3.03Å; E869-R978 IonicContact OE2-CZ 3.29Å; E869-R978 IonicContact OE2-NE 2.81Å; E869-R978 IonicContact OE2-NH2 3.33Å; E869-R978 PolarHBondContact OE2-NH2 3.32Å; V974-R978 WeakPolarHBondContact O-CB 3.22Å; V974-R978 WeakPolarHBondContact O-CG 3.21Å; V974-R978 PolarHBondContact O-N 3.31Å; V975-R978 WeakPolarHBondContact O-CG 3.38Å; R978-G980 PolarHBondContact O-N 3.16Å; R978-A1043 HydrophobicContact CB-CB 4.43Å; R978-A1043 PolarHBondContact N-O 3.16Å; R978-M1046 HydrophobicContact CB-CE 3.99Å; R978-R1115 WeakPolarHBondContact CD-O 3.42Å; R978-R1115 VanDerWaalsContact CG-O 3.27Å; R978-R1115 WeakPolarHBondContact CG-O 3.34Å; R978-R1115 WeakPolarHBondContact O-CG 3.46Å; R978-H1117 PolarHBondContact NH2-CD2 3.23Å; R978-H1117 PolarHBondContact NH2-CE1 2.79Å; R978-H1117 PolarHBondContact NH2-NE2 3.45Å |
| 979 | A | 77.1 | Confident | 81.9 | Confident | 7 Ų | 7 | 25 Ų | 25 | 6% | 0.058 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.5 | -23.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | E869 G977 | E869-A979 HydrophobicContact CB-CB 4.04Å; E869-A979 HydrophobicContact CG-CB 3.64Å; G977-A979 PolarHBondContact O-N 3.27Å |
| 980 | G | 78.2 | Confident | 80.6 | Confident | 5 Ų | 5 | 26.9 Ų | 26.9 | 5% | 0.052 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | 11.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | F872 G977 R978 L982 S983 G1047 | F872-G980 VanDerWaalsContact CE1-C 3.49Å; F872-G980 VanDerWaalsContact CZ-O 3.3Å; F872-G980 WeakPolarHBondContact CZ-O 3.46Å; G977-G980 PolarHBondContact O-N 3.46Å; R978-G980 PolarHBondContact O-N 3.16Å; G980-L982 PolarHBondContact O-N 3.42Å; G980-L982 VanDerWaalsContact O-N 3.16Å; G980-S983 WeakPolarHBondContact O-CB 3.39Å; G980-S983 PolarHBondContact O-N 2.92Å; G980-S983 PolarHBondContact O-OG 2.92Å; G980-G1047 WeakPolarHBondContact CA-O 3.49Å |
| 981 | C | 81.2 | Confident | 79.1 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -52.4 | -39.2 | -180 | -68 | 0 | 0 | 0 | 0 | 112.6 | F872 I919 I976 S983 H984 | F872-C981 HydrophobicContact CD2-CB 4.41Å; F872-C981 HydrophobicContact CG-CB 4.42Å; F872-C981 VanDerWaalsContact CG-SG 3.54Å; I919-C981 HydrophobicContact CD1-CB 3.96Å; I919-C981 HydrophobicContact CG2-CB 4.23Å; I976-C981 HydrophobicContact CG2-CB 3.58Å; I976-C981 WeakPolarHBondContact O-CB 3.43Å; I976-C981 PolarHBondContact O-N 3.37Å; C981-S983 PolarHBondContact O-N 3.31Å; C981-H984 PolarHBondContact O-CE1 2.85Å; C981-H984 PolarHBondContact O-ND1 3.46Å |
| 982 | L | 80.6 | Confident | 77.1 | Confident | 9 Ų | 9 | 35.4 Ų | 35.4 | 5% | 0.047 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -75.7 | -1.9 | -178.8 | -51.9 | -178 | 0 | 0 | 0 | 114.6 | L923 I976 G980 H984 L985 K1005 F1008 V1044 | L923-L982 HydrophobicContact CD1-CD2 3.59Å; L923-L982 HydrophobicContact CD2-CD2 4.22Å; L923-L982 HydrophobicContact CG-CD2 4.45Å; I976-L982 HydrophobicContact CG2-CD2 3.98Å; I976-L982 HydrophobicContact CG2-CG 4.28Å; G980-L982 PolarHBondContact O-N 3.42Å; G980-L982 VanDerWaalsContact O-N 3.16Å; L982-H984 PolarHBondContact O-N 3.3Å; L982-H984 VanDerWaalsContact O-N 3.16Å; L982-L985 HydrophobicContact CB-CD1 4.42Å; L982-L985 HydrophobicContact CD2-CD1 4.42Å; L982-L985 PolarHBondContact O-N 3.47Å; L982-K1005 WeakPolarHBondContact O-CE 3.36Å; L982-F1008 HydrophobicContact CD1-CD1 4.27Å; L982-F1008 HydrophobicContact CD1-CD2 4.35Å; L982-F1008 HydrophobicContact CD1-CE1 3.73Å; L982-F1008 HydrophobicContact CD1-CE2 3.81Å; L982-F1008 HydrophobicContact CD1-CZ 3.46Å; L982-F1008 VanDerWaalsContact CD1-CZ 3.46Å; L982-F1008 HydrophobicContact CD2-CE2 4.47Å; L982-V1044 HydrophobicContact CD1-CG2 3.85Å |
| 983 | S | 76 | Confident | 74.9 | Confident | 45 Ų | 45 | 44.9 Ų | 44.9 | 32% | 0.315 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -63 | -22.6 | -173.8 | 57.9 | 0 | 0 | 0 | 0 | 114.3 | G980 C981 K1005 | G980-S983 WeakPolarHBondContact O-CB 3.39Å; G980-S983 PolarHBondContact O-N 2.92Å; G980-S983 PolarHBondContact O-OG 2.92Å; C981-S983 PolarHBondContact O-N 3.31Å; S983-K1005 PolarHBondContact O-NZ 3.42Å |
| 984 | H | 75.6 | Confident | 72.8 | Confident | 60 Ų | 60 | 48 Ų | 48 | 28% | 0.278 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -73.5 | -25 | 179.1 | 66.7 | -88.1 | 0 | 0 | 0 | 114.3 | E920 C981 L982 | E920-H984 IonicContact OE1-CD2 3.59Å; E920-H984 IonicContact OE1-NE2 2.68Å; C981-H984 PolarHBondContact O-CE1 2.85Å; C981-H984 PolarHBondContact O-ND1 3.46Å; L982-H984 PolarHBondContact O-N 3.3Å; L982-H984 VanDerWaalsContact O-N 3.16Å |
| 985 | L | 79 | Confident | 70.5 | Confident | 10 Ų | 10 | 52.9 Ų | 52.9 | 5% | 0.052 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -63.5 | 143.3 | -175.3 | -68.8 | 174.5 | 0 | 0 | 0 | 111.8 | L982 L1002 K1005 | L982-L985 HydrophobicContact CB-CD1 4.42Å; L982-L985 HydrophobicContact CD2-CD1 4.42Å; L982-L985 PolarHBondContact O-N 3.47Å; L985-L1002 HydrophobicContact CD2-CD1 4.39Å; L985-K1005 HydrophobicContact CB-CG 3.72Å; L985-K1005 WeakPolarHBondContact O-CD 3.38Å; L985-K1005 WeakPolarHBondContact O-CE 3.49Å; L985-K1005 PolarHBondContact O-NZ 3.23Å |
| 986 | P | 76 | Confident | 68.4 | Low | 81 Ų | 81 | 60.8 Ų | 60.8 | 53% | 0.526 | 36% | 0.362 | S | S | . | . | trans | -64.7 | 143.2 | 176.5 | 28 | -34 | 0 | 0 | 0 | 110.4 | G988 S1004 K1005 | P986-G988 PolarHBondContact O-N 2.94Å; P986-S1004 CarbonylContact O-C 3.57Å; P986-S1004 WeakPolarHBondContact O-CA 3.47Å; P986-S1004 WeakPolarHBondContact O-CB 3.44Å; P986-K1005 PolarHBondContact O-N 2.95Å | ||
| 987 | S | 70.7 | Confident | 66.3 | Low | 61 Ų | 61 | 64.3 Ų | 64.3 | 43% | 0.427 | 39% | 0.386 | S | S | . | . | trans | -54.5 | -51.2 | -177.2 | -50 | 0 | 0 | 0 | 0 | 112 | A1006 H1076 | S987-A1006 PolarHBondContact O-N 3.36Å; S987-H1076 PolarHBondContact O-NE2 3.3Å | ||
| 988 | G | 72.7 | Confident | 64.8 | Low | 38 Ų | 38 | 69.1 Ų | 69.1 | 39% | 0.392 | 42% | 0.415 | S | S | . | . | trans | 63.8 | 179.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | P986 H1076 | P986-G988 PolarHBondContact O-N 2.94Å; G988-H1076 PolarHBondContact O-CE1 3.36Å | ||
| 989 | T | 70.2 | Confident | 63.6 | Low | 130 Ų | 130 | 69.6 Ų | 69.6 | 80% | 0.798 | 42% | 0.42 | S | S | * | . | trans | -113.7 | 136.3 | 177.3 | -33.7 | 0 | 0 | 0 | 0 | 108.6 | A1006 | T989-A1006 VanDerWaalsContact C-CB 3.42Å; T989-A1006 WeakPolarHBondContact O-CB 3.31Å | ||
| 990 | L | 64.1 | Low | 63.3 | Low | 41 Ų | 41 | 71.9 Ų | 71.9 | 22% | 0.215 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 137.7 | 173.5 | -80.4 | 156.1 | 0 | 0 | 0 | 110 | A1006 V1009 H1010 H1076 P1079 | L990-A1006 HydrophobicContact CD2-CB 4.33Å; L990-A1006 WeakPolarHBondContact CD2-O 3.36Å; L990-A1006 HydrophobicContact CG-CB 4.1Å; L990-V1009 HydrophobicContact CD2-CG1 4.21Å; L990-H1010 HydrophobicContact CD2-CB 4.32Å; L990-H1076 HydrophobicContact CD1-CB 4.37Å; L990-P1079 HydrophobicContact CD1-CB 3.26Å; L990-P1079 HydrophobicContact CD1-CG 3.78Å |
| 991 | P | 58.9 | Low | 63 | Low | 55 Ų | 55 | 71.7 Ų | 71.7 | 36% | 0.357 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 148.2 | 177.3 | 29.2 | -34.6 | 0 | 0 | 0 | 110.8 | H1010 | P991-H1010 HydrophobicContact CG-CB 4.41Š|
| 992 | I | 48.3 | Very low | 62.5 | Low | 155 Ų | 155 | 74.4 Ų | 74.4 | 80% | 0.795 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -81.3 | 147.1 | 172.7 | -60.7 | 171.1 | 0 | 0 | 0 | 108.5 | G994 | I992-G994 PolarHBondContact O-N 3.27Š|
| 993 | E | 44.3 | Very low | 62.2 | Low | 199 Ų | 199 | 77.4 Ų | 77.4 | 93% | 0.93 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 125.4 | 178.1 | -61 | 177.3 | 146.5 | 0 | 0 | 111.7 | ||
| 994 | G | 45.6 | Very low | 62.5 | Low | 67 Ų | 67 | 76 Ų | 76 | 69% | 0.691 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 141.8 | -34.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | I992 N996 | I992-G994 PolarHBondContact O-N 3.27Å; G994-N996 PolarHBondContact O-N 3.48Å |
| 995 | N | 39.7 | Very low | 62.8 | Low | 126 Ų | 126 | 73.7 Ų | 73.7 | 67% | 0.674 | 45% | 0.449 | S | S | * | . | trans | -90.2 | 95.7 | -178.3 | -84.9 | -5.5 | 0 | 0 | 0 | 112.6 | S997 | N995-S997 PolarHBondContact O-N 2.88Š| ||
| 996 | N | 43.1 | Very low | 62.9 | Low | 169 Ų | 169 | 73.2 Ų | 73.2 | 90% | 0.904 | 45% | 0.446 | S | S | * | . | trans | -69 | 20.5 | 173.4 | -72.4 | -22.8 | 0 | 0 | 0 | 114.8 | G994 | G994-N996 PolarHBondContact O-N 3.48Š| ||
| 997 | S | 43.5 | Very low | 63.2 | Low | 74 Ų | 74 | 69.8 Ų | 69.8 | 52% | 0.517 | 42% | 0.424 | S | S | . | . | trans | -68.9 | 134.8 | 174.5 | 52.3 | 0 | 0 | 0 | 0 | 111 | N995 T999 | N995-S997 PolarHBondContact O-N 2.88Å; S997-T999 PolarHBondContact O-N 3.28Å | ||
| 998 | T | 52.4 | Low | 63.9 | Low | 102 Ų | 102 | 67 Ų | 67 | 63% | 0.626 | 41% | 0.405 | S | S | * | . | trans | -66.4 | 95.7 | 177.1 | 43.1 | 0 | 0 | 0 | 0 | 111.4 | K932 S1000 | K932-T998 VanDerWaalsContact CE-CG2 3.46Å; T998-S1000 PolarHBondContact O-N 3.37Å | ||
| 999 | T | 59.6 | Low | 64.5 | Low | 28 Ų | 28 | 65.2 Ų | 65.2 | 17% | 0.172 | 39% | 0.386 | C | S | . | . | trans | -71.7 | 117.6 | 177.2 | 54.2 | 0 | 0 | 0 | 0 | 110.9 | S997 S1007 H1010 R1011 | S997-T999 PolarHBondContact O-N 3.28Å; T999-S1007 WeakPolarHBondContact CB-OG 3.49Å; T999-H1010 PolarHBondContact OG1-ND1 3.24Å; T999-R1011 WeakPolarHBondContact O-CD 3.43Å | ||
| 1000 | S | 68.9 | Low | 65.2 | Low | 55 Ų | 55 | 62.2 Ų | 62.2 | 39% | 0.385 | 36% | 0.362 | S | S | . | . | trans | -74.6 | 153.2 | -177.2 | 62.9 | 0 | 0 | 0 | 0 | 113.6 | D927 T998 L1002 S1007 | D927-S1000 WeakPolarHBondContact OD2-CA 3.46Å; D927-S1000 VanDerWaalsContact OD2-CB 3.24Å; D927-S1000 WeakPolarHBondContact OD2-CB 3.3Å; T998-S1000 PolarHBondContact O-N 3.37Å; S1000-L1002 PolarHBondContact O-N 2.91Å; S1000-S1007 VanDerWaalsContact O-CB 3.31Å; S1000-S1007 WeakPolarHBondContact O-CB 3.4Å; S1000-S1007 PolarHBondContact O-OG 2.88Å | ||
| 1001 | L | 71.8 | Confident | 66.2 | Low | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -31.4 | -178.5 | -75.7 | 179.7 | 0 | 0 | 0 | 113.6 | L923 M926 D927 L930 F1008 R1011 | L923-L1001 HydrophobicContact CD2-CD1 4.5Å; M926-L1001 HydrophobicContact CB-CD1 4.21Å; D927-L1001 HydrophobicContact CB-CB 4.39Å; D927-L1001 HydrophobicContact CB-CD1 3.99Å; D927-L1001 HydrophobicContact CB-CG 4.08Å; D927-L1001 PolarHBondContact OD2-N 3.19Å; L930-L1001 HydrophobicContact CD1-CD1 3.81Å; L1001-F1008 HydrophobicContact CB-CD2 4.25Å; L1001-F1008 HydrophobicContact CD2-CD2 3.72Å; L1001-F1008 HydrophobicContact CD2-CE2 4Å; L1001-F1008 HydrophobicContact CD2-CG 4.33Å; L1001-F1008 WeakPolarHBondContact O-CB 3.26Å; L1001-R1011 HydrophobicContact CD2-CB 3.85Å; L1001-R1011 HydrophobicContact CD2-CG 3.65Å; L1001-R1011 HydrophobicContact CG-CG 4.17Å |
| 1002 | L | 71.6 | Confident | 67.5 | Low | 57 Ų | 57 | 59.1 Ų | 59.1 | 30% | 0.298 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -21.9 | -164.5 | -156.8 | 73.3 | 0 | 0 | 0 | 114.9 | E920 L923 L985 S1000 S1004 | E920-L1002 HydrophobicContact CB-CD1 3.88Å; E920-L1002 HydrophobicContact CB-CD2 4.23Å; E920-L1002 HydrophobicContact CG-CD1 4.09Å; L923-L1002 HydrophobicContact CB-CD1 3.9Å; L923-L1002 HydrophobicContact CD1-CD1 3.96Å; L985-L1002 HydrophobicContact CD2-CD1 4.39Å; S1000-L1002 PolarHBondContact O-N 2.91Å; L1002-S1004 VanDerWaalsContact C-N 3.3Å; L1002-S1004 PolarHBondContact O-N 3.13Å |
| 1003 | S | 74.9 | Confident | 69.2 | Low | 73 Ų | 73 | 52.6 Ų | 52.6 | 51% | 0.51 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -65.7 | -29.4 | -166.7 | 73.8 | 0 | 0 | 0 | 0 | 114.7 | S1007 | S1003-S1007 WeakPolarHBondContact OG-CB 3.37Å; S1003-S1007 PolarHBondContact OG-OG 3Å; S1003-S1007 VanDerWaalsContact OG-OG 3.06Å |
| 1004 | S | 81.7 | Confident | 71 | Confident | 15 Ų | 15 | 45.4 Ų | 45.4 | 11% | 0.105 | 28% | 0.279 | C | S | . | . | trans | -172.6 | 163.3 | 177.5 | 56.4 | 0 | 0 | 0 | 0 | 111.2 | P986 L1002 A1006 S1007 F1008 | P986-S1004 CarbonylContact O-C 3.57Å; P986-S1004 WeakPolarHBondContact O-CA 3.47Å; P986-S1004 WeakPolarHBondContact O-CB 3.44Å; L1002-S1004 VanDerWaalsContact C-N 3.3Å; L1002-S1004 PolarHBondContact O-N 3.13Å; S1004-A1006 PolarHBondContact O-N 2.89Å; S1004-S1007 PolarHBondContact O-N 3.43Å; S1004-S1007 WeakPolarHBondContact OG-CB 3.44Å; S1004-S1007 PolarHBondContact OG-N 3.1Å; S1004-S1007 VanDerWaalsContact OG-N 3.17Å; S1004-F1008 PolarHBondContact O-N 3.22Å | ||
| 1005 | K | 82.8 | Confident | 72.9 | Confident | 12 Ų | 12 | 42.2 Ų | 42.2 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.8 | -34.9 | 170.4 | -67.9 | 176.5 | 173 | 166 | 0 | 112.1 | L982 S983 L985 P986 V1009 E1048 P1075 | L982-K1005 WeakPolarHBondContact O-CE 3.36Å; S983-K1005 PolarHBondContact O-NZ 3.42Å; L985-K1005 HydrophobicContact CB-CG 3.72Å; L985-K1005 WeakPolarHBondContact O-CD 3.38Å; L985-K1005 WeakPolarHBondContact O-CE 3.49Å; L985-K1005 PolarHBondContact O-NZ 3.23Å; P986-K1005 PolarHBondContact O-N 2.95Å; K1005-V1009 WeakPolarHBondContact O-CB 3.26Å; K1005-V1009 VanDerWaalsContact O-CG2 3.24Å; K1005-V1009 WeakPolarHBondContact O-CG2 3.48Å; K1005-V1009 PolarHBondContact O-N 3.43Å; K1005-E1048 IonicContact NZ-OE1 3.85Å; K1005-E1048 PolarHBondContact NZ-OE1 3.19Å; K1005-P1075 HydrophobicContact CD-CG 4.16Å |
| 1006 | A | 81.1 | Confident | 74.9 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.9 | -46 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S987 T989 L990 S1004 V1009 H1010 H1076 | S987-A1006 PolarHBondContact O-N 3.36Å; T989-A1006 VanDerWaalsContact C-CB 3.42Å; T989-A1006 WeakPolarHBondContact O-CB 3.31Å; L990-A1006 HydrophobicContact CD2-CB 4.33Å; L990-A1006 WeakPolarHBondContact CD2-O 3.36Å; L990-A1006 HydrophobicContact CG-CB 4.1Å; S1004-A1006 PolarHBondContact O-N 2.89Å; A1006-V1009 PolarHBondContact O-N 3.01Å; A1006-H1010 WeakPolarHBondContact O-CB 3.4Å; A1006-H1010 PolarHBondContact O-N 3.47Å; A1006-H1076 PolarHBondContact N-NE2 3.24Å |
| 1007 | S | 81 | Confident | 76.3 | Confident | 9 Ų | 9 | 29.1 Ų | 29.1 | 6% | 0.063 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.6 | -43.1 | -179.5 | -163.8 | 0 | 0 | 0 | 0 | 112.3 | T999 S1000 S1003 S1004 V1009 H1010 R1011 | T999-S1007 WeakPolarHBondContact CB-OG 3.49Å; S1000-S1007 VanDerWaalsContact O-CB 3.31Å; S1000-S1007 WeakPolarHBondContact O-CB 3.4Å; S1000-S1007 PolarHBondContact O-OG 2.88Å; S1003-S1007 WeakPolarHBondContact OG-CB 3.37Å; S1003-S1007 PolarHBondContact OG-OG 3Å; S1003-S1007 VanDerWaalsContact OG-OG 3.06Å; S1004-S1007 PolarHBondContact O-N 3.43Å; S1004-S1007 WeakPolarHBondContact OG-CB 3.44Å; S1004-S1007 PolarHBondContact OG-N 3.1Å; S1004-S1007 VanDerWaalsContact OG-N 3.17Å; S1007-V1009 VanDerWaalsContact C-N 3.34Å; S1007-V1009 PolarHBondContact O-N 3.33Å; S1007-H1010 PolarHBondContact O-N 2.93Å; S1007-R1011 WeakPolarHBondContact O-CB 3.25Å; S1007-R1011 PolarHBondContact O-N 2.97Å |
| 1008 | F | 86.2 | Confident | 77.2 | Confident | 3 Ų | 3 | 30 Ų | 30 | 1% | 0.013 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -54.5 | -49.5 | 171.6 | -176.3 | -84.8 | 0 | 0 | 0 | 111.7 | L923 L973 L982 L1001 S1004 R1011 I1012 V1044 | L923-F1008 HydrophobicContact CD2-CD2 4.41Å; L923-F1008 HydrophobicContact CD2-CE2 3.77Å; L973-F1008 HydrophobicContact CD1-CE2 4.42Å; L973-F1008 HydrophobicContact CD1-CZ 4.14Å; L973-F1008 HydrophobicContact CD2-CE2 4.11Å; L973-F1008 HydrophobicContact CD2-CZ 4.09Å; L982-F1008 HydrophobicContact CD1-CD1 4.27Å; L982-F1008 HydrophobicContact CD1-CD2 4.35Å; L982-F1008 HydrophobicContact CD1-CE1 3.73Å; L982-F1008 HydrophobicContact CD1-CE2 3.81Å; L982-F1008 HydrophobicContact CD1-CZ 3.46Å; L982-F1008 VanDerWaalsContact CD1-CZ 3.46Å; L982-F1008 HydrophobicContact CD2-CE2 4.47Å; L1001-F1008 HydrophobicContact CB-CD2 4.25Å; L1001-F1008 HydrophobicContact CD2-CD2 3.72Å; L1001-F1008 HydrophobicContact CD2-CE2 4Å; L1001-F1008 HydrophobicContact CD2-CG 4.33Å; L1001-F1008 WeakPolarHBondContact O-CB 3.26Å; S1004-F1008 PolarHBondContact O-N 3.22Å; F1008-R1011 PolarHBondContact O-N 3.44Å; F1008-I1012 HydrophobicContact CD1-CD1 3.96Å; F1008-I1012 HydrophobicContact CE1-CD1 3.24Å; F1008-I1012 HydrophobicContact CE1-CG1 4.36Å; F1008-I1012 HydrophobicContact CE2-CD1 4.47Å; F1008-I1012 HydrophobicContact CZ-CD1 3.56Å; F1008-I1012 PolarHBondContact O-N 3.36Å; F1008-V1044 HydrophobicContact CD1-CG2 4.34Å; F1008-V1044 HydrophobicContact CE1-CG2 3.61Å; F1008-V1044 HydrophobicContact CZ-CG2 4.37Å |
| 1009 | V | 85.6 | Confident | 77.3 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.2 | -49.8 | 177.9 | 164.2 | 0 | 0 | 0 | 0 | 110.9 | L990 K1005 A1006 S1007 R1011 I1012 L1013 L1041 I1080 | L990-V1009 HydrophobicContact CD2-CG1 4.21Å; K1005-V1009 WeakPolarHBondContact O-CB 3.26Å; K1005-V1009 VanDerWaalsContact O-CG2 3.24Å; K1005-V1009 WeakPolarHBondContact O-CG2 3.48Å; K1005-V1009 PolarHBondContact O-N 3.43Å; A1006-V1009 PolarHBondContact O-N 3.01Å; S1007-V1009 VanDerWaalsContact C-N 3.34Å; S1007-V1009 PolarHBondContact O-N 3.33Å; V1009-R1011 VanDerWaalsContact C-N 3.3Å; V1009-R1011 PolarHBondContact O-N 3.19Å; V1009-I1012 PolarHBondContact O-N 3.33Å; V1009-L1013 HydrophobicContact CG1-CD1 3.47Å; V1009-L1013 VanDerWaalsContact CG1-CD1 3.47Å; V1009-L1013 HydrophobicContact CG1-CG 4.08Å; V1009-L1013 WeakPolarHBondContact O-CB 3.48Å; V1009-L1013 WeakPolarHBondContact O-CG 3.45Å; V1009-L1013 PolarHBondContact O-N 3.15Å; V1009-L1041 HydrophobicContact CG1-CD2 4.47Å; V1009-I1080 HydrophobicContact CG1-CD1 4.2Å; V1009-I1080 HydrophobicContact CG1-CG1 3.64Å; V1009-I1080 HydrophobicContact CG2-CD1 3.87Å; V1009-I1080 HydrophobicContact CG2-CG1 4.25Å |
| 1010 | H | 83.7 | Confident | 76.8 | Confident | 66 Ų | 66 | 32.7 Ų | 32.7 | 31% | 0.306 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -56.3 | -42.7 | 178.1 | -175.7 | -105.8 | 0 | 0 | 0 | 112.5 | L990 P991 T999 A1006 S1007 I1012 L1013 S1014 | L990-H1010 HydrophobicContact CD2-CB 4.32Å; P991-H1010 HydrophobicContact CG-CB 4.41Å; T999-H1010 PolarHBondContact OG1-ND1 3.24Å; A1006-H1010 WeakPolarHBondContact O-CB 3.4Å; A1006-H1010 PolarHBondContact O-N 3.47Å; S1007-H1010 PolarHBondContact O-N 2.93Å; H1010-I1012 PolarHBondContact O-N 3.25Å; H1010-L1013 PolarHBondContact O-N 3.07Å; H1010-S1014 PolarHBondContact O-N 3.09Å |
| 1011 | R | 85.5 | Confident | 75.8 | Confident | 30 Ų | 30 | 35.6 Ų | 35.6 | 11% | 0.113 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.7 | -42.4 | 178 | -172.1 | 60.1 | 155.9 | 118.1 | 3.6 | 112.4 | D927 L930 T999 L1001 S1007 F1008 V1009 S1014 | D927-R1011 PolarHBondContact O-NH2 3.12Å; D927-R1011 IonicContact OD1-CZ 2.74Å; D927-R1011 IonicContact OD1-NE 3.37Å; D927-R1011 PolarHBondContact OD1-NE 2.76Å; D927-R1011 IonicContact OD1-NH2 3.54Å; D927-R1011 PolarHBondContact OD1-NH2 3.4Å; L930-R1011 PolarHBondContact O-NH1 3.26Å; L930-R1011 PolarHBondContact O-NH2 3.49Å; T999-R1011 WeakPolarHBondContact O-CD 3.43Å; L1001-R1011 HydrophobicContact CD2-CB 3.85Å; L1001-R1011 HydrophobicContact CD2-CG 3.65Å; L1001-R1011 HydrophobicContact CG-CG 4.17Å; S1007-R1011 WeakPolarHBondContact O-CB 3.25Å; S1007-R1011 PolarHBondContact O-N 2.97Å; F1008-R1011 PolarHBondContact O-N 3.44Å; V1009-R1011 VanDerWaalsContact C-N 3.3Å; V1009-R1011 PolarHBondContact O-N 3.19Å; R1011-S1014 PolarHBondContact O-OG 2.71Å |
| 1012 | I | 86.2 | Confident | 74.1 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -73.6 | -38.8 | 177.4 | -63.8 | 179.1 | 0 | 0 | 0 | 111.9 | L970 L973 F1008 V1009 H1010 S1014 Y1015 A1037 T1040 L1041 | L970-I1012 HydrophobicContact CD2-CG1 4.5Å; L970-I1012 HydrophobicContact CD2-CG2 4.23Å; L973-I1012 HydrophobicContact CD1-CD1 4.15Å; F1008-I1012 HydrophobicContact CD1-CD1 3.96Å; F1008-I1012 HydrophobicContact CE1-CD1 3.24Å; F1008-I1012 HydrophobicContact CE1-CG1 4.36Å; F1008-I1012 HydrophobicContact CE2-CD1 4.47Å; F1008-I1012 HydrophobicContact CZ-CD1 3.56Å; F1008-I1012 PolarHBondContact O-N 3.36Å; V1009-I1012 PolarHBondContact O-N 3.33Å; H1010-I1012 PolarHBondContact O-N 3.25Å; I1012-S1014 PolarHBondContact O-N 3.37Å; I1012-S1014 VanDerWaalsContact O-N 3.15Å; I1012-Y1015 PolarHBondContact O-N 2.94Å; I1012-A1037 HydrophobicContact CG2-CB 3.98Å; I1012-T1040 HydrophobicContact CD1-CG2 3.62Å; I1012-L1041 HydrophobicContact CB-CD2 4.2Å; I1012-L1041 HydrophobicContact CG2-CD1 4.26Å; I1012-L1041 HydrophobicContact CG2-CD2 3.96Å; I1012-L1041 HydrophobicContact CG2-CG 3.8Å |
| 1013 | L | 83.8 | Confident | 72.3 | Confident | 17 Ų | 17 | 51.5 Ų | 51.5 | 9% | 0.089 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.7 | -27.2 | 176.9 | -71.7 | 167.2 | 0 | 0 | 0 | 112.4 | V1009 H1010 Y1015 L1016 L1041 I1083 | V1009-L1013 HydrophobicContact CG1-CD1 3.47Å; V1009-L1013 VanDerWaalsContact CG1-CD1 3.47Å; V1009-L1013 HydrophobicContact CG1-CG 4.08Å; V1009-L1013 WeakPolarHBondContact O-CB 3.48Å; V1009-L1013 WeakPolarHBondContact O-CG 3.45Å; V1009-L1013 PolarHBondContact O-N 3.15Å; H1010-L1013 PolarHBondContact O-N 3.07Å; L1013-Y1015 PolarHBondContact O-N 2.82Å; L1013-Y1015 VanDerWaalsContact O-N 3.15Å; L1013-L1016 HydrophobicContact CD2-CD1 3.69Å; L1013-L1016 WeakPolarHBondContact O-CB 3.46Å; L1013-L1016 PolarHBondContact O-N 2.96Å; L1013-L1041 HydrophobicContact CD2-CD1 3.74Å; L1013-L1041 HydrophobicContact CD2-CD2 4.3Å; L1013-L1041 HydrophobicContact CG-CD1 4.48Å; L1013-L1041 HydrophobicContact CG-CD2 4.35Å; L1013-I1083 HydrophobicContact CD1-CD1 3.58Å; L1013-I1083 HydrophobicContact CD2-CB 4.14Å; L1013-I1083 HydrophobicContact CD2-CD1 4.47Å; L1013-I1083 HydrophobicContact CD2-CG2 3.87Å |
| 1014 | S | 82.5 | Confident | 70.4 | Confident | 48 Ų | 48 | 50.7 Ų | 50.7 | 34% | 0.336 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -20.1 | 174.4 | 75.9 | 0 | 0 | 0 | 0 | 114.6 | P933 H1010 R1011 I1012 | P933-S1014 WeakPolarHBondContact CG-O 3.49Å; H1010-S1014 PolarHBondContact O-N 3.09Å; R1011-S1014 PolarHBondContact O-OG 2.71Å; I1012-S1014 PolarHBondContact O-N 3.37Å; I1012-S1014 VanDerWaalsContact O-N 3.15Å |
| 1015 | Y | 84.6 | Confident | 68 | Low | 1 Ų | 1 | 56.3 Ų | 56.3 | 0% | 0.004 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -0.9 | 174.1 | -65.4 | -72.3 | 0 | 0 | 0 | 114.1 | L930 V931 P933 L936 V966 I1012 L1013 V1033 | L930-Y1015 VanDerWaalsContact C-OH 3.24Å; L930-Y1015 WeakPolarHBondContact CA-OH 3.47Å; L930-Y1015 WeakPolarHBondContact CB-OH 3.22Å; L930-Y1015 HydrophobicContact CD2-CE2 4.06Å; L930-Y1015 WeakPolarHBondContact CD2-OH 3.32Å; V931-Y1015 PolarHBondContact N-OH 2.76Å; V931-Y1015 PolarHBondContact O-OH 2.76Å; P933-Y1015 HydrophobicContact CG-CD1 4.28Å; L936-Y1015 HydrophobicContact CD1-CD1 3.88Å; L936-Y1015 HydrophobicContact CD1-CE1 3.92Å; V966-Y1015 HydrophobicContact CG1-CD1 4.25Å; V966-Y1015 HydrophobicContact CG1-CE1 3.74Å; I1012-Y1015 PolarHBondContact O-N 2.94Å; L1013-Y1015 PolarHBondContact O-N 2.82Å; L1013-Y1015 VanDerWaalsContact O-N 3.15Å; Y1015-V1033 HydrophobicContact CD1-CG1 3.91Å; Y1015-V1033 HydrophobicContact CG-CG1 4.25Å |
| 1016 | L | 82.1 | Confident | 65.8 | Low | 6 Ų | 6 | 59.1 Ų | 59.1 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -81.5 | 144.5 | 167.6 | -69.8 | 170.8 | 0 | 0 | 0 | 110.2 | L1013 L1038 L1041 | L1013-L1016 HydrophobicContact CD2-CD1 3.69Å; L1013-L1016 WeakPolarHBondContact O-CB 3.46Å; L1013-L1016 PolarHBondContact O-N 2.96Å; L1016-L1038 HydrophobicContact CD2-CD2 3.73Å; L1016-L1038 HydrophobicContact CD2-CG 3.83Å; L1016-L1041 HydrophobicContact CD1-CD1 4.09Å |
| 1017 | P | 71.9 | Confident | 64.2 | Low | 13 Ų | 13 | 64.3 Ų | 64.3 | 8% | 0.084 | 36% | 0.36 | C | S | . | . | trans | -65.4 | 146.4 | 174.1 | 30.7 | -36.8 | 0 | 0 | 0 | 110.8 | L1028 I1090 L1095 | P1017-L1028 HydrophobicContact CB-CD1 4.47Å; P1017-L1028 HydrophobicContact CB-CD2 4.16Å; P1017-L1028 HydrophobicContact CB-CG 4.39Å; P1017-L1028 HydrophobicContact CG-CD1 4.13Å; P1017-L1028 HydrophobicContact CG-CD2 4.12Å; P1017-L1028 HydrophobicContact CG-CG 4.46Å; P1017-I1090 HydrophobicContact CB-CD1 3.89Å; P1017-I1090 HydrophobicContact CG-CD1 3.68Å; P1017-L1095 HydrophobicContact CG-CD2 3.87Å | ||
| 1018 | T | 62.8 | Low | 62.8 | Low | 92 Ų | 92 | 65.6 Ų | 65.6 | 56% | 0.564 | 37% | 0.366 | S | S | * | . | trans | -121.2 | 150.8 | 176.8 | 66.8 | 0 | 0 | 0 | 0 | 110.7 | C1020 E1021 | T1018-C1020 PolarHBondContact O-N 2.76Å; T1018-C1020 VanDerWaalsContact O-N 3.09Å; T1018-E1021 PolarHBondContact O-N 3.05Å | ||
| 1019 | V | 53.9 | Low | 61.5 | Low | 67 Ų | 67 | 71.6 Ų | 71.6 | 41% | 0.406 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -60 | -26 | -169.9 | -176 | 0 | 0 | 0 | 0 | 113.3 | E1021 E1089 | V1019-E1021 VanDerWaalsContact C-N 3.26Å; V1019-E1021 PolarHBondContact O-N 3.31Å; V1019-E1089 HydrophobicContact CG2-CB 4.38Å |
| 1020 | C | 49.1 | Very low | 60.8 | Low | 121 Ų | 121 | 72.1 Ų | 72.1 | 82% | 0.818 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -68.7 | -13 | -177.5 | -73.1 | 0 | 0 | 0 | 0 | 115.6 | T1018 | T1018-C1020 PolarHBondContact O-N 2.76Å; T1018-C1020 VanDerWaalsContact O-N 3.09Å |
| 1021 | E | 48.9 | Very low | 60.4 | Low | 116 Ų | 116 | 71.4 Ų | 71.4 | 54% | 0.542 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -80.4 | -9.4 | -178.4 | -65.5 | -160 | 138.3 | 0 | 0 | 114.7 | T1018 V1019 R1023 | T1018-E1021 PolarHBondContact O-N 3.05Å; V1019-E1021 VanDerWaalsContact C-N 3.26Å; V1019-E1021 PolarHBondContact O-N 3.31Å; E1021-R1023 PolarHBondContact O-N 2.78Å |
| 1022 | E | 35.8 | Very low | 60.1 | Low | 138 Ų | 138 | 79.1 Ų | 79.1 | 65% | 0.645 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -63.5 | -8.9 | -172.5 | -75.2 | -149.2 | 137.9 | 0 | 0 | 116.2 | S1024 | E1022-S1024 PolarHBondContact O-N 3.21Š|
| 1023 | R | 34.9 | Very low | 60.1 | Low | 253 Ų | 253 | 79.1 Ų | 79.1 | 96% | 0.955 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -68.9 | 6.3 | 178.1 | -70.5 | -168.6 | 177 | -169.2 | 0.8 | 114.9 | E1021 | E1021-R1023 PolarHBondContact O-N 2.78Š|
| 1024 | S | 33.5 | Very low | 60 | Low | 55 Ų | 55 | 78.3 Ų | 78.3 | 39% | 0.385 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -125.6 | 122.8 | 161.4 | 72.2 | 0 | 0 | 0 | 0 | 111 | E1022 S1026 R1029 | E1022-S1024 PolarHBondContact O-N 3.21Å; S1024-S1026 PolarHBondContact O-N 3.43Å; S1024-R1029 PolarHBondContact OG-NH2 3.09Å |
| 1025 | S | 32.5 | Very low | 60.2 | Low | 133 Ų | 133 | 78.9 Ų | 78.9 | 93% | 0.93 | 41% | 0.414 | S | S | * | . | trans | -77.9 | 49.6 | -161.7 | -44.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1026 | S | 36.2 | Very low | 60.2 | Low | 72 Ų | 72 | 78.9 Ų | 78.9 | 50% | 0.503 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -146.1 | 125.5 | -175.2 | 64 | 0 | 0 | 0 | 0 | 113.5 | S1024 | S1024-S1026 PolarHBondContact O-N 3.43Š|
| 1027 | S | 46.5 | Very low | 60.5 | Low | 109 Ų | 109 | 78.6 Ų | 78.6 | 76% | 0.762 | 41% | 0.413 | S | S | * | . | trans | -5.7 | 134.5 | 164.5 | -166.8 | 0 | 0 | 0 | 0 | 118.5 | R1029 | S1027-R1029 PolarHBondContact O-N 3.46Å; S1027-R1029 VanDerWaalsContact O-N 3.1Å | ||
| 1028 | L | 52.4 | Low | 61.4 | Low | 35 Ų | 35 | 78 Ų | 78 | 18% | 0.183 | 41% | 0.409 | C | S | . | . | trans | -36.4 | 109 | 170.8 | -127.9 | 149.7 | 0 | 0 | 0 | 112 | P1017 Y1030 P1031 I1090 D1092 L1095 | P1017-L1028 HydrophobicContact CB-CD1 4.47Å; P1017-L1028 HydrophobicContact CB-CD2 4.16Å; P1017-L1028 HydrophobicContact CB-CG 4.39Å; P1017-L1028 HydrophobicContact CG-CD1 4.13Å; P1017-L1028 HydrophobicContact CG-CD2 4.12Å; P1017-L1028 HydrophobicContact CG-CG 4.46Å; L1028-Y1030 VanDerWaalsContact C-N 3.3Å; L1028-Y1030 PolarHBondContact O-N 2.92Å; L1028-P1031 WeakPolarHBondContact O-CD 3.24Å; L1028-I1090 HydrophobicContact CD1-CG2 3.95Å; L1028-D1092 HydrophobicContact CD1-CB 3.94Å; L1028-D1092 WeakPolarHBondContact CD1-OD2 3.43Å; L1028-L1095 HydrophobicContact CD1-CD2 3.97Å | ||
| 1029 | R | 59.5 | Low | 62.5 | Low | 130 Ų | 130 | 77.9 Ų | 77.9 | 49% | 0.491 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -76.6 | -7.5 | -162.7 | -62.1 | -171.5 | -170.9 | -173.8 | 9.5 | 115.6 | S1024 S1027 | S1024-R1029 PolarHBondContact OG-NH2 3.09Å; S1027-R1029 PolarHBondContact O-N 3.46Å; S1027-R1029 VanDerWaalsContact O-N 3.1Å |
| 1030 | Y | 70.9 | Confident | 64.3 | Low | 10 Ų | 10 | 74.7 Ų | 74.7 | 4% | 0.039 | 38% | 0.379 | C | S | . | . | trans | -148.4 | 51.6 | -173.4 | 48.2 | -99.3 | 0 | 0 | 0 | 114.5 | V937 L1028 R1032 V1033 S1034 | V937-Y1030 HydrophobicContact CG2-CD1 4.04Å; V937-Y1030 HydrophobicContact CG2-CE1 3.91Å; L1028-Y1030 VanDerWaalsContact C-N 3.3Å; L1028-Y1030 PolarHBondContact O-N 2.92Å; Y1030-R1032 PolarHBondContact O-N 3.47Å; Y1030-V1033 HydrophobicContact CD2-CB 4.01Å; Y1030-V1033 HydrophobicContact CD2-CG1 4.35Å; Y1030-V1033 PolarHBondContact O-N 2.83Å; Y1030-S1034 PolarHBondContact O-N 3.49Å | ||
| 1031 | P | 75 | Confident | 66.1 | Low | 52 Ų | 52 | 69 Ų | 69 | 34% | 0.338 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.6 | -24.9 | -170 | 26.1 | -35.5 | 0 | 0 | 0 | 114.4 | L1028 S1034 Q1035 | L1028-P1031 WeakPolarHBondContact O-CD 3.24Å; P1031-S1034 PolarHBondContact O-OG 2.75Å; P1031-S1034 VanDerWaalsContact O-OG 3.14Å; P1031-Q1035 VanDerWaalsContact O-CB 3.27Å; P1031-Q1035 WeakPolarHBondContact O-CB 3.48Å; P1031-Q1035 WeakPolarHBondContact O-CG 3.49Å; P1031-Q1035 PolarHBondContact O-N 3.27Å |
| 1032 | R | 79.8 | Confident | 67.9 | Low | 192 Ų | 192 | 63.6 Ų | 63.6 | 73% | 0.725 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -68.3 | -36.5 | 173.9 | -66.3 | -177.3 | -179.6 | 169.6 | 0.8 | 112.8 | V967 Y1030 A1036 | V967-R1032 HydrophobicContact CG2-CB 3.97Å; Y1030-R1032 PolarHBondContact O-N 3.47Å; R1032-A1036 WeakPolarHBondContact O-CB 3.22Å; R1032-A1036 PolarHBondContact O-N 3.32Å |
| 1033 | V | 84.7 | Confident | 70.3 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70 | -45.1 | 179.1 | 174.6 | 0 | 0 | 0 | 0 | 110 | L936 Q963 V966 V967 L970 Y1015 Y1030 A1036 A1037 | L936-V1033 HydrophobicContact CD1-CG1 4.05Å; L936-V1033 HydrophobicContact CD1-CG2 4.41Å; Q963-V1033 HydrophobicContact CB-CG2 4.24Å; Q963-V1033 HydrophobicContact CG-CG2 4.23Å; V966-V1033 HydrophobicContact CG1-CG1 3.92Å; V967-V1033 HydrophobicContact CG2-CB 4.46Å; V967-V1033 HydrophobicContact CG2-CG2 3.81Å; L970-V1033 HydrophobicContact CD1-CG1 4.07Å; Y1015-V1033 HydrophobicContact CD1-CG1 3.91Å; Y1015-V1033 HydrophobicContact CG-CG1 4.25Å; Y1030-V1033 HydrophobicContact CD2-CB 4.01Å; Y1030-V1033 HydrophobicContact CD2-CG1 4.35Å; Y1030-V1033 PolarHBondContact O-N 2.83Å; V1033-A1036 PolarHBondContact O-N 2.83Å; V1033-A1037 WeakPolarHBondContact O-CB 3.45Å; V1033-A1037 PolarHBondContact O-N 3.46Å |
| 1034 | S | 83.2 | Confident | 72.7 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.007 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.9 | -39.5 | 176.8 | 57.1 | 0 | 0 | 0 | 0 | 112.1 | Y1030 P1031 A1036 A1037 L1038 | Y1030-S1034 PolarHBondContact O-N 3.49Å; P1031-S1034 PolarHBondContact O-OG 2.75Å; P1031-S1034 VanDerWaalsContact O-OG 3.14Å; S1034-A1036 PolarHBondContact O-N 3.36Å; S1034-A1037 PolarHBondContact O-N 3.08Å; S1034-L1038 WeakPolarHBondContact O-CB 3.27Å; S1034-L1038 VanDerWaalsContact O-CG 3.27Å; S1034-L1038 WeakPolarHBondContact O-CG 3.49Å; S1034-L1038 PolarHBondContact O-N 2.91Å |
| 1035 | Q | 85.5 | Confident | 75.1 | Confident | 60 Ų | 60 | 42.9 Ų | 42.9 | 28% | 0.28 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.9 | -37.9 | 172.5 | -75.2 | 175 | 0.2 | 0 | 0 | 113.3 | P1031 R1039 A1098 | P1031-Q1035 VanDerWaalsContact O-CB 3.27Å; P1031-Q1035 WeakPolarHBondContact O-CB 3.48Å; P1031-Q1035 WeakPolarHBondContact O-CG 3.49Å; P1031-Q1035 PolarHBondContact O-N 3.27Å; Q1035-R1039 WeakPolarHBondContact O-CG 3.48Å; Q1035-R1039 PolarHBondContact O-N 3.39Å; Q1035-R1039 PolarHBondContact O-NE 2.7Å; Q1035-R1039 VanDerWaalsContact O-NE 3.17Å; Q1035-A1098 HydrophobicContact CG-CB 3.86Å |
| 1036 | A | 85.5 | Confident | 77.5 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.3 | -49.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | V967 L970 R1032 V1033 S1034 L1038 R1039 T1040 | V967-A1036 HydrophobicContact CG1-CB 4.34Å; L970-A1036 HydrophobicContact CB-CB 3.77Å; L970-A1036 HydrophobicContact CD1-CB 4.06Å; R1032-A1036 WeakPolarHBondContact O-CB 3.22Å; R1032-A1036 PolarHBondContact O-N 3.32Å; V1033-A1036 PolarHBondContact O-N 2.83Å; S1034-A1036 PolarHBondContact O-N 3.36Å; A1036-L1038 VanDerWaalsContact C-N 3.35Å; A1036-L1038 PolarHBondContact O-N 3Å; A1036-R1039 CarbonylContact O-C 3.56Å; A1036-R1039 WeakPolarHBondContact O-CA 3.44Å; A1036-R1039 PolarHBondContact O-N 3.44Å; A1036-T1040 PolarHBondContact O-N 3.45Å; A1036-T1040 PolarHBondContact O-OG1 2.89Å |
| 1037 | A | 89.2 | Confident | 79.3 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.4 | -41.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | L970 I1012 V1033 S1034 R1039 T1040 L1041 | L970-A1037 HydrophobicContact CD1-CB 4.07Å; L970-A1037 HydrophobicContact CD2-CB 4.39Å; I1012-A1037 HydrophobicContact CG2-CB 3.98Å; V1033-A1037 WeakPolarHBondContact O-CB 3.45Å; V1033-A1037 PolarHBondContact O-N 3.46Å; S1034-A1037 PolarHBondContact O-N 3.08Å; A1037-R1039 VanDerWaalsContact C-N 3.33Å; A1037-R1039 PolarHBondContact O-N 3.35Å; A1037-T1040 PolarHBondContact O-N 2.93Å; A1037-L1041 WeakPolarHBondContact O-CG 3.32Å; A1037-L1041 PolarHBondContact O-N 3.48Å |
| 1038 | L | 88.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.1 | -42.9 | 173.3 | -75.7 | 169.3 | 0 | 0 | 0 | 112.1 | L1016 S1034 A1036 L1041 A1042 M1084 L1095 A1098 V1099 A1102 | L1016-L1038 HydrophobicContact CD2-CD2 3.73Å; L1016-L1038 HydrophobicContact CD2-CG 3.83Å; S1034-L1038 WeakPolarHBondContact O-CB 3.27Å; S1034-L1038 VanDerWaalsContact O-CG 3.27Å; S1034-L1038 WeakPolarHBondContact O-CG 3.49Å; S1034-L1038 PolarHBondContact O-N 2.91Å; A1036-L1038 VanDerWaalsContact C-N 3.35Å; A1036-L1038 PolarHBondContact O-N 3Å; L1038-L1041 PolarHBondContact O-N 3.41Å; L1038-A1042 WeakPolarHBondContact O-CB 3.16Å; L1038-A1042 PolarHBondContact O-N 2.72Å; L1038-M1084 HydrophobicContact CD2-CE 3.91Å; L1038-M1084 HydrophobicContact CD2-CG 4.14Å; L1038-L1095 HydrophobicContact CD1-CD1 3.83Å; L1038-A1098 HydrophobicContact CD1-CB 3.73Å; L1038-V1099 HydrophobicContact CD1-CG2 3.73Å; L1038-V1099 HydrophobicContact CD2-CG2 3.9Å; L1038-A1102 HydrophobicContact CB-CB 4.17Å; L1038-A1102 HydrophobicContact CD2-CB 4.5Å |
| 1039 | R | 87.7 | Confident | 80.6 | Confident | 91 Ų | 91 | 28.6 Ų | 28.6 | 34% | 0.343 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -70.8 | -33.2 | 176.7 | -72.4 | -178.7 | -74.5 | 100.2 | -7.2 | 112 | E971 V974 Q1035 A1036 A1037 A1043 | E971-R1039 IonicContact OE1-CZ 2.68Å; E971-R1039 VanDerWaalsContact OE1-CZ 3.23Å; E971-R1039 IonicContact OE1-NH1 3.53Å; E971-R1039 PolarHBondContact OE1-NH1 2.74Å; E971-R1039 IonicContact OE1-NH2 3.11Å; E971-R1039 PolarHBondContact OE1-NH2 3.34Å; E971-R1039 IonicContact OE2-CZ 3.3Å; E971-R1039 IonicContact OE2-NH1 3.72Å; E971-R1039 PolarHBondContact OE2-NH1 2.94Å; V974-R1039 HydrophobicContact CG2-CB 4.12Å; Q1035-R1039 WeakPolarHBondContact O-CG 3.48Å; Q1035-R1039 PolarHBondContact O-N 3.39Å; Q1035-R1039 PolarHBondContact O-NE 2.7Å; Q1035-R1039 VanDerWaalsContact O-NE 3.17Å; A1036-R1039 CarbonylContact O-C 3.56Å; A1036-R1039 WeakPolarHBondContact O-CA 3.44Å; A1036-R1039 PolarHBondContact O-N 3.44Å; A1037-R1039 VanDerWaalsContact C-N 3.33Å; A1037-R1039 PolarHBondContact O-N 3.35Å; R1039-A1043 WeakPolarHBondContact O-CB 3.24Å; R1039-A1043 PolarHBondContact O-N 2.99Å |
| 1040 | T | 89.8 | Confident | 80.3 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.4 | -46.5 | 172.3 | -44.3 | 0 | 0 | 0 | 0 | 111.7 | L970 L973 I1012 A1036 A1037 A1042 A1043 V1044 | L970-T1040 PolarHBondContact O-OG1 3.22Å; L973-T1040 HydrophobicContact CB-CG2 3.35Å; L973-T1040 HydrophobicContact CD1-CG2 4.36Å; L973-T1040 HydrophobicContact CG-CG2 4.49Å; I1012-T1040 HydrophobicContact CD1-CG2 3.62Å; A1036-T1040 PolarHBondContact O-N 3.45Å; A1036-T1040 PolarHBondContact O-OG1 2.89Å; A1037-T1040 PolarHBondContact O-N 2.93Å; T1040-A1042 VanDerWaalsContact C-N 3.34Å; T1040-A1042 PolarHBondContact O-N 3.49Å; T1040-A1043 WeakPolarHBondContact O-CB 3.47Å; T1040-A1043 PolarHBondContact O-N 3.15Å; T1040-A1043 VanDerWaalsContact O-N 3.14Å; T1040-V1044 PolarHBondContact O-N 3.27Å |
| 1041 | L | 87.8 | Confident | 79.1 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.2 | -43.9 | 177 | -71.4 | 166.4 | 0 | 0 | 0 | 111.4 | V1009 I1012 L1013 L1016 A1037 L1038 V1044 C1045 I1080 M1084 | V1009-L1041 HydrophobicContact CG1-CD2 4.47Å; I1012-L1041 HydrophobicContact CB-CD2 4.2Å; I1012-L1041 HydrophobicContact CG2-CD1 4.26Å; I1012-L1041 HydrophobicContact CG2-CD2 3.96Å; I1012-L1041 HydrophobicContact CG2-CG 3.8Å; L1013-L1041 HydrophobicContact CD2-CD1 3.74Å; L1013-L1041 HydrophobicContact CD2-CD2 4.3Å; L1013-L1041 HydrophobicContact CG-CD1 4.48Å; L1013-L1041 HydrophobicContact CG-CD2 4.35Å; L1016-L1041 HydrophobicContact CD1-CD1 4.09Å; A1037-L1041 WeakPolarHBondContact O-CG 3.32Å; A1037-L1041 PolarHBondContact O-N 3.48Å; L1038-L1041 PolarHBondContact O-N 3.41Å; L1041-V1044 PolarHBondContact O-N 3.26Å; L1041-C1045 PolarHBondContact O-N 2.96Å; L1041-I1080 HydrophobicContact CB-CG2 4.15Å; L1041-I1080 HydrophobicContact CD2-CG2 4.44Å; L1041-M1084 HydrophobicContact CB-CE 3.75Å; L1041-M1084 HydrophobicContact CD1-CE 4.13Å |
| 1042 | A | 86.4 | Confident | 77.1 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 2% | 0.017 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.9 | -47 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1038 T1040 V1044 C1045 M1046 A1102 D1105 | L1038-A1042 WeakPolarHBondContact O-CB 3.16Å; L1038-A1042 PolarHBondContact O-N 2.72Å; T1040-A1042 VanDerWaalsContact C-N 3.34Å; T1040-A1042 PolarHBondContact O-N 3.49Å; A1042-V1044 VanDerWaalsContact C-N 3.3Å; A1042-V1044 PolarHBondContact O-N 3.36Å; A1042-C1045 CarbonylContact O-C 3.45Å; A1042-C1045 WeakPolarHBondContact O-CA 3.35Å; A1042-C1045 WeakPolarHBondContact O-CB 3.45Å; A1042-C1045 PolarHBondContact O-N 2.9Å; A1042-M1046 WeakPolarHBondContact O-CG 3.33Å; A1042-M1046 PolarHBondContact O-N 3.28Å; A1042-A1102 HydrophobicContact CB-CB 4.1Å; A1042-D1105 HydrophobicContact CB-CB 3.99Å |
| 1043 | A | 85.9 | Confident | 74.8 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.5 | -34 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | V974 G977 R978 R1039 T1040 C1045 M1046 G1047 | V974-A1043 HydrophobicContact CB-CB 4.29Å; V974-A1043 HydrophobicContact CG1-CB 4.05Å; V974-A1043 HydrophobicContact CG2-CB 4.43Å; G977-A1043 CarbonylContact C-O 3.57Å; R978-A1043 HydrophobicContact CB-CB 4.43Å; R978-A1043 PolarHBondContact N-O 3.16Å; R1039-A1043 WeakPolarHBondContact O-CB 3.24Å; R1039-A1043 PolarHBondContact O-N 2.99Å; T1040-A1043 WeakPolarHBondContact O-CB 3.47Å; T1040-A1043 PolarHBondContact O-N 3.15Å; T1040-A1043 VanDerWaalsContact O-N 3.14Å; A1043-C1045 VanDerWaalsContact C-N 3.34Å; A1043-M1046 HydrophobicContact CB-CE 3.8Å; A1043-M1046 WeakPolarHBondContact O-CB 3.46Å; A1043-M1046 PolarHBondContact O-N 3.43Å; A1043-M1046 VanDerWaalsContact O-N 3.1Å; A1043-G1047 PolarHBondContact O-N 3.16Å; A1043-G1047 VanDerWaalsContact O-N 3.17Å |
| 1044 | V | 85.3 | Confident | 72 | Confident | 8 Ų | 8 | 39.6 Ų | 39.6 | 5% | 0.048 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.9 | -38 | 172.2 | 178.3 | 0 | 0 | 0 | 0 | 111.9 | L982 F1008 T1040 L1041 A1042 M1046 G1047 | L982-V1044 HydrophobicContact CD1-CG2 3.85Å; F1008-V1044 HydrophobicContact CD1-CG2 4.34Å; F1008-V1044 HydrophobicContact CE1-CG2 3.61Å; F1008-V1044 HydrophobicContact CZ-CG2 4.37Å; T1040-V1044 PolarHBondContact O-N 3.27Å; L1041-V1044 PolarHBondContact O-N 3.26Å; A1042-V1044 VanDerWaalsContact C-N 3.3Å; A1042-V1044 PolarHBondContact O-N 3.36Å; V1044-M1046 VanDerWaalsContact C-N 3.3Å; V1044-M1046 PolarHBondContact O-N 3.38Å; V1044-G1047 PolarHBondContact O-N 3.16Å |
| 1045 | C | 85.2 | Confident | 69.4 | Low | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.014 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.3 | -29.3 | 170.8 | -66.6 | 0 | 0 | 0 | 0 | 112.5 | L1041 A1042 A1043 G1047 T1077 C1106 G1109 | L1041-C1045 PolarHBondContact O-N 2.96Å; A1042-C1045 CarbonylContact O-C 3.45Å; A1042-C1045 WeakPolarHBondContact O-CA 3.35Å; A1042-C1045 WeakPolarHBondContact O-CB 3.45Å; A1042-C1045 PolarHBondContact O-N 2.9Å; A1043-C1045 VanDerWaalsContact C-N 3.34Å; C1045-G1047 VanDerWaalsContact C-N 3.32Å; C1045-G1047 PolarHBondContact O-N 3.23Å; C1045-T1077 PolarHBondContact SG-OG1 2.86Å; C1045-C1106 HydrophobicContact CB-CB 4.3Å; C1045-G1109 WeakPolarHBondContact O-CA 3.37Å |
| 1046 | M | 82.8 | Confident | 66.4 | Low | 8 Ų | 8 | 51.5 Ų | 51.5 | 4% | 0.039 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.3 | -23.3 | 174.9 | -58.1 | -166.9 | -67.2 | 0 | 0 | 113.9 | R978 A1042 A1043 V1044 D1105 G1109 P1110 S1112 | R978-M1046 HydrophobicContact CB-CE 3.99Å; A1042-M1046 WeakPolarHBondContact O-CG 3.33Å; A1042-M1046 PolarHBondContact O-N 3.28Å; A1043-M1046 HydrophobicContact CB-CE 3.8Å; A1043-M1046 WeakPolarHBondContact O-CB 3.46Å; A1043-M1046 PolarHBondContact O-N 3.43Å; A1043-M1046 VanDerWaalsContact O-N 3.1Å; V1044-M1046 VanDerWaalsContact C-N 3.3Å; V1044-M1046 PolarHBondContact O-N 3.38Å; M1046-D1105 HydrophobicContact CG-CB 4.37Å; M1046-D1105 HydrophobicContact SD-CB 4.15Å; M1046-G1109 WeakPolarHBondContact CA-O 3.38Å; M1046-P1110 WeakPolarHBondContact O-CA 3.25Å; M1046-S1112 WeakPolarHBondContact CG-OG 3.25Å; M1046-S1112 PolarHBondContact SD-OG 3.46Å |
| 1047 | G | 72.9 | Confident | 63.5 | Low | 5 Ų | 5 | 57.7 Ų | 57.7 | 5% | 0.052 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -83.4 | -24.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | G977 G980 A1043 V1044 C1045 | G977-G1047 VanDerWaalsContact O-CA 3.25Å; G977-G1047 WeakPolarHBondContact O-CA 3.27Å; G980-G1047 WeakPolarHBondContact CA-O 3.49Å; A1043-G1047 PolarHBondContact O-N 3.16Å; A1043-G1047 VanDerWaalsContact O-N 3.17Å; V1044-G1047 PolarHBondContact O-N 3.16Å; C1045-G1047 VanDerWaalsContact C-N 3.32Å; C1045-G1047 PolarHBondContact O-N 3.23Å |
| 1048 | E | 67.8 | Low | 60.5 | Low | 5 Ų | 5 | 62.9 Ų | 62.9 | 2% | 0.023 | 33% | 0.332 | C | S | . | . | trans | -64.1 | 143.8 | -175.6 | -75.1 | -95 | -175.6 | 0 | 0 | 112.1 | K1005 K1072 H1074 P1110 | K1005-E1048 IonicContact NZ-OE1 3.85Å; K1005-E1048 PolarHBondContact NZ-OE1 3.19Å; E1048-K1072 HydrophobicContact CB-CB 4.43Å; E1048-K1072 WeakPolarHBondContact CB-O 3.48Å; E1048-K1072 WeakPolarHBondContact OE2-CD 3.33Å; E1048-K1072 IonicContact OE2-NZ 3.53Å; E1048-K1072 PolarHBondContact OE2-NZ 2.86Å; E1048-K1072 VanDerWaalsContact OE2-NZ 3.12Å; E1048-H1074 HydrophobicContact CG-CB 4.05Å; E1048-H1074 IonicContact OE1-CD2 3.18Å; E1048-P1110 VanDerWaalsContact O-CB 3.28Å; E1048-P1110 WeakPolarHBondContact O-CB 3Å | ||
| 1049 | G | 60.1 | Low | 57.4 | Low | 31 Ų | 31 | 70.7 Ų | 70.7 | 32% | 0.32 | 37% | 0.374 | S | S | . | . | trans | -78.4 | -162.5 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | K1072 | G1049-K1072 WeakPolarHBondContact O-CA 3.34Å; G1049-K1072 WeakPolarHBondContact O-CB 3.35Å; G1049-K1072 PolarHBondContact O-N 2.89Å | ||
| 1050 | Y | 52.7 | Low | 54.3 | Low | 127 Ų | 127 | 72.2 Ų | 72.2 | 50% | 0.498 | 40% | 0.398 | S | S | . | . | B | Isolated β-bridge | trans | -97.9 | 149.5 | 169.5 | -68.9 | -91.6 | 0 | 0 | 0 | 110.8 | P1071 | Y1050-P1071 HydrophobicContact CD1-CB 4.2Å; Y1050-P1071 HydrophobicContact CE1-CB 4.02Å |
| 1051 | Q | 44.5 | Very low | 51.1 | Low | 101 Ų | 101 | 77.5 Ų | 77.5 | 47% | 0.472 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -96.4 | 129.7 | 178.1 | -176.5 | 175.3 | 7.2 | 0 | 0 | 110.9 | K1070 | Q1051-K1070 PolarHBondContact N-O 3.09Š|
| 1052 | T | 34.2 | Very low | 48 | Very low | 95 Ų | 95 | 86.7 Ų | 86.7 | 58% | 0.583 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -99.1 | 131.7 | 159 | 49.6 | 0 | 0 | 0 | 0 | 109.1 | ||
| 1053 | T | 29.9 | Very low | 44.9 | Very low | 95 Ų | 95 | 91.6 Ų | 91.6 | 58% | 0.583 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -75.1 | 124.6 | 172.9 | 32.7 | 0 | 0 | 0 | 0 | 109.7 | D1055 | T1053-D1055 WeakPolarHBondContact CB-OD2 3.29Å; T1053-D1055 WeakPolarHBondContact CG2-OD2 3.47Å |
| 1054 | K | 27.3 | Very low | 41.9 | Very low | 198 Ų | 198 | 101.6 Ų | 101.6 | 86% | 0.861 | 56% | 0.556 | S | S | * | * | trans | -108.5 | 74.9 | 163 | -80.4 | -169.1 | 175 | -171.8 | 0 | 107.5 | ||||
| 1055 | D | 27.7 | Very low | 38.9 | Very low | 138 Ų | 138 | 107.1 Ų | 107.1 | 74% | 0.738 | 59% | 0.589 | S | S | * | * | trans | -102.1 | 132.3 | 172 | -63.8 | -60.4 | 0 | 0 | 0 | 108.4 | T1053 | T1053-D1055 WeakPolarHBondContact CB-OD2 3.29Å; T1053-D1055 WeakPolarHBondContact CG2-OD2 3.47Å | ||
| 1056 | E | 23.6 | Very low | 36.1 | Very low | 174 Ų | 174 | 114.7 Ų | 114.7 | 81% | 0.813 | 63% | 0.628 | S | S | * | * | trans | -90.8 | 166.4 | -176.5 | -60.2 | -173.4 | 135.3 | 0 | 0 | 111.4 | ||||
| 1057 | T | 25 | Very low | 33.4 | Very low | 130 Ų | 130 | 122.5 Ų | 122.5 | 80% | 0.798 | 67% | 0.665 | S | S | * | * | trans | 78.7 | 158.8 | 162.6 | 78.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1058 | S | 25.5 | Very low | 31.6 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 76% | 0.762 | 69% | 0.694 | S | S | * | * | trans | 71.7 | 91.3 | 169.4 | 64.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1059 | N | 22.8 | Very low | 30.3 | Very low | 164 Ų | 164 | 131.3 Ų | 131.3 | 88% | 0.877 | 72% | 0.716 | S | S | * | * | trans | -26.2 | 129.4 | 150.2 | -50.4 | -31.9 | 0 | 0 | 0 | 115.6 | ||||
| 1060 | S | 24.1 | Very low | 29.9 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | -171.2 | 168.2 | 122 | 53.8 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 1061 | S | 22.1 | Very low | 30.1 | Very low | 110 Ų | 110 | 133 Ų | 133 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | trans | -100.9 | 117.7 | -174.2 | 52 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1062 | E | 22.9 | Very low | 31.1 | Very low | 196 Ų | 196 | 132.7 Ų | 132.7 | 92% | 0.916 | 72% | 0.718 | S | S | * | * | trans | -167.3 | 172.2 | 136 | -113.5 | 169.1 | -162.9 | 0 | 0 | 114.3 | ||||
| 1063 | S | 21.1 | Very low | 32.8 | Very low | 105 Ų | 105 | 131.3 Ų | 131.3 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | trans | -4.7 | 115 | 177.6 | -160.8 | 0 | 0 | 0 | 0 | 119.6 | T1065 | S1063-T1065 PolarHBondContact O-N 3.03Š| ||
| 1064 | K | 22 | Very low | 35.3 | Very low | 210 Ų | 210 | 127.1 Ų | 127.1 | 91% | 0.913 | 69% | 0.686 | S | S | * | * | trans | -76.9 | 112.8 | 170.4 | -67.7 | 177 | 179 | 176.8 | 0 | 111.5 | ||||
| 1065 | T | 23.6 | Very low | 37.8 | Very low | 123 Ų | 123 | 120.7 Ų | 120.7 | 76% | 0.755 | 66% | 0.664 | S | S | * | * | trans | -112.5 | 159.1 | 158.2 | 46.2 | 0 | 0 | 0 | 0 | 110.1 | S1063 E1067 | S1063-T1065 PolarHBondContact O-N 3.03Å; T1065-E1067 PolarHBondContact O-N 3.12Å | ||
| 1066 | I | 25.3 | Very low | 40.5 | Very low | 162 Ų | 162 | 114.8 Ų | 114.8 | 83% | 0.831 | 63% | 0.632 | S | S | * | * | trans | -73 | 125 | -163.6 | -63.1 | 166.9 | 0 | 0 | 0 | 110.9 | N1068 | I1066-N1068 PolarHBondContact O-N 3.04Š| ||
| 1067 | E | 26.9 | Very low | 43.6 | Very low | 172 Ų | 172 | 106.7 Ų | 106.7 | 80% | 0.804 | 59% | 0.594 | S | S | * | * | trans | -70.1 | 119.3 | -178.3 | -65.2 | 178.6 | 152.4 | 0 | 0 | 112 | T1065 S1069 | T1065-E1067 PolarHBondContact O-N 3.12Å; E1067-S1069 PolarHBondContact O-N 3.42Å | ||
| 1068 | N | 34 | Very low | 46.5 | Very low | 125 Ų | 125 | 102.8 Ų | 102.8 | 67% | 0.668 | 57% | 0.568 | S | S | * | * | trans | -76.6 | 99.1 | 179.7 | -82.3 | -36.9 | 0 | 0 | 0 | 112.1 | I1066 K1070 | I1066-N1068 PolarHBondContact O-N 3.04Å; N1068-K1070 PolarHBondContact O-N 2.98Å | ||
| 1069 | S | 41.5 | Very low | 49.2 | Very low | 70 Ų | 70 | 99.4 Ų | 99.4 | 49% | 0.49 | 54% | 0.543 | S | S | . | . | trans | -61.3 | 115.5 | 172.7 | 60.3 | 0 | 0 | 0 | 0 | 111.7 | E1067 | E1067-S1069 PolarHBondContact O-N 3.42Š| ||
| 1070 | K | 51.6 | Low | 52.3 | Low | 155 Ų | 155 | 91.6 Ų | 91.6 | 67% | 0.674 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 141.7 | -179.5 | -72 | 175.3 | 179.1 | 169 | 0 | 111.5 | Q1051 N1068 | Q1051-K1070 PolarHBondContact N-O 3.09Å; N1068-K1070 PolarHBondContact O-N 2.98Å |
| 1071 | P | 56.3 | Low | 55.4 | Low | 37 Ų | 37 | 85.7 Ų | 85.7 | 24% | 0.24 | 46% | 0.461 | C | S | . | . | B | Isolated β-bridge | trans | -65.9 | 138.8 | 170.2 | 29.4 | -35.1 | 0 | 0 | 0 | 110.1 | Y1050 P1110 I1111 | Y1050-P1071 HydrophobicContact CD1-CB 4.2Å; Y1050-P1071 HydrophobicContact CE1-CB 4.02Å; P1071-P1110 HydrophobicContact CB-CG 3.67Å; P1071-I1111 HydrophobicContact CB-CD1 4.47Å; P1071-I1111 HydrophobicContact CG-CD1 4.1Å |
| 1072 | K | 65 | Low | 58.4 | Low | 96 Ų | 96 | 86 Ų | 86 | 42% | 0.417 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -86.3 | 125.9 | 176.9 | -160.6 | -177.6 | 174.2 | -148.8 | 0 | 108.4 | E1048 G1049 | E1048-K1072 HydrophobicContact CB-CB 4.43Å; E1048-K1072 WeakPolarHBondContact CB-O 3.48Å; E1048-K1072 WeakPolarHBondContact OE2-CD 3.33Å; E1048-K1072 IonicContact OE2-NZ 3.53Å; E1048-K1072 PolarHBondContact OE2-NZ 2.86Å; E1048-K1072 VanDerWaalsContact OE2-NZ 3.12Å; G1049-K1072 WeakPolarHBondContact O-CA 3.34Å; G1049-K1072 WeakPolarHBondContact O-CB 3.35Å; G1049-K1072 PolarHBondContact O-N 2.89Å |
| 1073 | C | 70.8 | Confident | 61.3 | Low | 66 Ų | 66 | 80.4 Ų | 80.4 | 45% | 0.446 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -87.6 | 150 | 175.5 | -69.2 | 0 | 0 | 0 | 0 | 111 | ||
| 1074 | H | 82.4 | Confident | 64.5 | Low | 7 Ų | 7 | 75.4 Ų | 75.4 | 3% | 0.032 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 133.1 | 173 | -175.7 | -108.4 | 0 | 0 | 0 | 110.4 | E1048 H1076 T1077 | E1048-H1074 HydrophobicContact CG-CB 4.05Å; E1048-H1074 IonicContact OE1-CD2 3.18Å; H1074-H1076 PolarHBondContact O-N 2.59Å; H1074-H1076 VanDerWaalsContact O-N 3.07Å; H1074-T1077 PolarHBondContact O-N 3.41Å; H1074-T1077 VanDerWaalsContact O-N 3.07Å; H1074-T1077 PolarHBondContact O-OG1 2.83Å |
| 1075 | P | 79.8 | Confident | 67.6 | Low | 62 Ų | 62 | 66.1 Ų | 66.1 | 40% | 0.403 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -27.6 | -173.5 | 20.8 | -34.2 | 0 | 0 | 0 | 113.7 | K1005 | K1005-P1075 HydrophobicContact CD-CG 4.16Š|
| 1076 | H | 85.2 | Confident | 70.4 | Confident | 15 Ų | 15 | 62.5 Ų | 62.5 | 7% | 0.069 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 13.3 | -179.1 | -58.2 | -58.4 | 0 | 0 | 0 | 114.5 | S987 G988 L990 A1006 H1074 I1078 P1079 I1080 | S987-H1076 PolarHBondContact O-NE2 3.3Å; G988-H1076 PolarHBondContact O-CE1 3.36Å; L990-H1076 HydrophobicContact CD1-CB 4.37Å; A1006-H1076 PolarHBondContact N-NE2 3.24Å; H1074-H1076 PolarHBondContact O-N 2.59Å; H1074-H1076 VanDerWaalsContact O-N 3.07Å; H1076-I1078 PolarHBondContact O-N 3.3Å; H1076-P1079 HydrophobicContact CB-CG 4.49Å; H1076-P1079 VanDerWaalsContact O-CD 3.3Å; H1076-P1079 WeakPolarHBondContact O-CD 3.47Å; H1076-I1080 HydrophobicContact CB-CD1 4.36Å; H1076-I1080 HydrophobicContact CB-CG1 4.5Å; H1076-I1080 WeakPolarHBondContact O-CD1 3.31Å; H1076-I1080 VanDerWaalsContact O-CG1 3.24Å; H1076-I1080 WeakPolarHBondContact O-CG1 3.23Å; H1076-I1080 PolarHBondContact O-N 3.13Å |
| 1077 | T | 86.8 | Confident | 73.2 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.018 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.4 | -47.3 | 179.5 | -65.8 | 0 | 0 | 0 | 0 | 112.3 | C1045 H1074 I1080 M1081 C1106 N1140 | C1045-T1077 PolarHBondContact SG-OG1 2.86Å; H1074-T1077 PolarHBondContact O-N 3.41Å; H1074-T1077 VanDerWaalsContact O-N 3.07Å; H1074-T1077 PolarHBondContact O-OG1 2.83Å; T1077-I1080 PolarHBondContact O-N 3.07Å; T1077-M1081 HydrophobicContact CG2-CG 4.25Å; T1077-M1081 HydrophobicContact CG2-SD 3.52Å; T1077-M1081 VanDerWaalsContact CG2-SD 3.52Å; T1077-M1081 WeakPolarHBondContact O-CB 3.16Å; T1077-M1081 WeakPolarHBondContact O-CG 3.41Å; T1077-M1081 PolarHBondContact O-N 3.22Å; T1077-C1106 HydrophobicContact CG2-CB 4.41Å; T1077-N1140 HydrophobicContact CG2-CB 4.13Å; T1077-N1140 WeakPolarHBondContact CG2-ND2 3.48Å |
| 1078 | I | 85.9 | Confident | 75.8 | Confident | 48 Ų | 48 | 47 Ų | 47 | 25% | 0.246 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.9 | -48 | 178.1 | -70.3 | 167.8 | 0 | 0 | 0 | 111.9 | H1076 I1080 M1081 K1082 N1140 W1143 | H1076-I1078 PolarHBondContact O-N 3.3Å; I1078-I1080 PolarHBondContact O-N 3.04Å; I1078-M1081 PolarHBondContact O-N 3.44Å; I1078-K1082 WeakPolarHBondContact O-CG 2.9Å; I1078-K1082 PolarHBondContact O-N 3.06Å; I1078-N1140 HydrophobicContact CG1-CB 4.42Å; I1078-W1143 HydrophobicContact CD1-CB 4.42Å; I1078-W1143 HydrophobicContact CG1-CB 4.48Å; I1078-W1143 HydrophobicContact CG2-CD2 3.94Å; I1078-W1143 HydrophobicContact CG2-CE3 4.38Å; I1078-W1143 HydrophobicContact CG2-CG 4.04Å |
| 1079 | P | 84.1 | Confident | 77.9 | Confident | 38 Ų | 38 | 46.5 Ų | 46.5 | 25% | 0.247 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.8 | -41.1 | 170.9 | -29.2 | 33.3 | 0 | 0 | 0 | 116 | L990 H1076 K1082 I1083 | L990-P1079 HydrophobicContact CD1-CB 3.26Å; L990-P1079 HydrophobicContact CD1-CG 3.78Å; H1076-P1079 HydrophobicContact CB-CG 4.49Å; H1076-P1079 VanDerWaalsContact O-CD 3.3Å; H1076-P1079 WeakPolarHBondContact O-CD 3.47Å; P1079-K1082 WeakPolarHBondContact O-CB 3.29Å; P1079-K1082 PolarHBondContact O-N 3.4Å; P1079-I1083 PolarHBondContact O-N 3.41Å; P1079-I1083 VanDerWaalsContact O-N 3.16Å |
| 1080 | I | 87.1 | Confident | 79.6 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61 | -48.2 | 175.2 | -68.4 | 162.4 | 0 | 0 | 0 | 109.5 | V1009 L1041 H1076 T1077 I1078 K1082 I1083 M1084 | V1009-I1080 HydrophobicContact CG1-CD1 4.2Å; V1009-I1080 HydrophobicContact CG1-CG1 3.64Å; V1009-I1080 HydrophobicContact CG2-CD1 3.87Å; V1009-I1080 HydrophobicContact CG2-CG1 4.25Å; L1041-I1080 HydrophobicContact CB-CG2 4.15Å; L1041-I1080 HydrophobicContact CD2-CG2 4.44Å; H1076-I1080 HydrophobicContact CB-CD1 4.36Å; H1076-I1080 HydrophobicContact CB-CG1 4.5Å; H1076-I1080 WeakPolarHBondContact O-CD1 3.31Å; H1076-I1080 VanDerWaalsContact O-CG1 3.24Å; H1076-I1080 WeakPolarHBondContact O-CG1 3.23Å; H1076-I1080 PolarHBondContact O-N 3.13Å; T1077-I1080 PolarHBondContact O-N 3.07Å; I1078-I1080 PolarHBondContact O-N 3.04Å; I1080-K1082 VanDerWaalsContact C-N 3.33Å; I1080-K1082 PolarHBondContact O-N 2.88Å; I1080-I1083 PolarHBondContact O-N 3.36Å; I1080-M1084 HydrophobicContact CG2-CE 3.73Å; I1080-M1084 HydrophobicContact CG2-SD 4.09Å; I1080-M1084 WeakPolarHBondContact O-CG 3.28Å; I1080-M1084 PolarHBondContact O-N 3.46Å |
| 1081 | M | 88.1 | Confident | 80.8 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.1 | -33.2 | 178.7 | -64 | 170.4 | 70.5 | 0 | 0 | 112.2 | T1077 I1078 I1083 V1085 L1103 C1106 I1107 N1140 W1143 L1144 | T1077-M1081 HydrophobicContact CG2-CG 4.25Å; T1077-M1081 HydrophobicContact CG2-SD 3.52Å; T1077-M1081 VanDerWaalsContact CG2-SD 3.52Å; T1077-M1081 WeakPolarHBondContact O-CB 3.16Å; T1077-M1081 WeakPolarHBondContact O-CG 3.41Å; T1077-M1081 PolarHBondContact O-N 3.22Å; I1078-M1081 PolarHBondContact O-N 3.44Å; M1081-I1083 PolarHBondContact O-N 2.94Å; M1081-V1085 VanDerWaalsContact O-CB 3.31Å; M1081-V1085 WeakPolarHBondContact O-CB 3.32Å; M1081-V1085 WeakPolarHBondContact O-CG2 3.4Å; M1081-V1085 PolarHBondContact O-N 3.07Å; M1081-L1103 HydrophobicContact CB-CD2 4.08Å; M1081-L1103 HydrophobicContact CE-CD2 4.17Å; M1081-L1103 HydrophobicContact CG-CD2 3.93Å; M1081-C1106 HydrophobicContact CG-CB 4.24Å; M1081-C1106 HydrophobicContact SD-CB 4.31Å; M1081-I1107 HydrophobicContact CE-CD1 4.47Å; M1081-I1107 HydrophobicContact CE-CG1 4Å; M1081-N1140 HydrophobicContact SD-CB 4.26Å; M1081-W1143 HydrophobicContact CB-CE3 4.25Å; M1081-W1143 HydrophobicContact CB-CH2 4.45Å; M1081-W1143 HydrophobicContact CB-CZ3 3.61Å; M1081-L1144 HydrophobicContact CE-CB 3.75Å; M1081-L1144 HydrophobicContact CE-CD1 4.17Å; M1081-L1144 HydrophobicContact CE-CD2 3.78Å; M1081-L1144 HydrophobicContact CE-CG 4.11Å |
| 1082 | K | 86 | Confident | 81.8 | Confident | 116 Ų | 116 | 40.4 Ų | 40.4 | 50% | 0.504 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.4 | -46.3 | 170.9 | -84.7 | -179.7 | 172.4 | -168.2 | 0 | 112.2 | I1078 P1079 I1080 V1085 G1086 W1143 | I1078-K1082 WeakPolarHBondContact O-CG 2.9Å; I1078-K1082 PolarHBondContact O-N 3.06Å; P1079-K1082 WeakPolarHBondContact O-CB 3.29Å; P1079-K1082 PolarHBondContact O-N 3.4Å; I1080-K1082 VanDerWaalsContact C-N 3.33Å; I1080-K1082 PolarHBondContact O-N 2.88Å; K1082-V1085 PolarHBondContact O-N 3.25Å; K1082-G1086 PolarHBondContact O-N 2.87Å; K1082-W1143 HydrophobicContact CB-CH2 4.22Å; K1082-W1143 HydrophobicContact CB-CZ2 4.29Å; K1082-W1143 HydrophobicContact CD-CZ2 4.27Å; K1082-W1143 HydrophobicContact CG-CH2 3.6Å; K1082-W1143 HydrophobicContact CG-CZ2 3.23Å |
| 1083 | I | 83.6 | Confident | 82.4 | Confident | 79 Ų | 79 | 36.2 Ų | 36.2 | 41% | 0.405 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -77.8 | -34.9 | -176.2 | -61.8 | 167.8 | 0 | 0 | 0 | 110.7 | L1013 P1079 I1080 M1081 V1085 G1086 T1087 | L1013-I1083 HydrophobicContact CD1-CD1 3.58Å; L1013-I1083 HydrophobicContact CD2-CB 4.14Å; L1013-I1083 HydrophobicContact CD2-CD1 4.47Å; L1013-I1083 HydrophobicContact CD2-CG2 3.87Å; P1079-I1083 PolarHBondContact O-N 3.41Å; P1079-I1083 VanDerWaalsContact O-N 3.16Å; I1080-I1083 PolarHBondContact O-N 3.36Å; M1081-I1083 PolarHBondContact O-N 2.94Å; I1083-V1085 VanDerWaalsContact C-N 3.34Å; I1083-V1085 PolarHBondContact O-N 3.34Å; I1083-G1086 PolarHBondContact O-N 3.01Å; I1083-T1087 PolarHBondContact O-N 3.26Å |
| 1084 | M | 88.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.5 | -45.5 | 166 | -73 | 177 | 174.7 | 0 | 0 | 111.7 | L1038 L1041 I1080 G1086 T1087 V1099 A1102 L1103 | L1038-M1084 HydrophobicContact CD2-CE 3.91Å; L1038-M1084 HydrophobicContact CD2-CG 4.14Å; L1041-M1084 HydrophobicContact CB-CE 3.75Å; L1041-M1084 HydrophobicContact CD1-CE 4.13Å; I1080-M1084 HydrophobicContact CG2-CE 3.73Å; I1080-M1084 HydrophobicContact CG2-SD 4.09Å; I1080-M1084 WeakPolarHBondContact O-CG 3.28Å; I1080-M1084 PolarHBondContact O-N 3.46Å; M1084-G1086 VanDerWaalsContact C-N 3.3Å; M1084-G1086 PolarHBondContact O-N 3.45Å; M1084-T1087 WeakPolarHBondContact O-CB 3.43Å; M1084-T1087 PolarHBondContact O-N 2.93Å; M1084-T1087 VanDerWaalsContact O-N 3.11Å; M1084-T1087 PolarHBondContact O-OG1 2.99Å; M1084-V1099 HydrophobicContact CB-CG1 4.21Å; M1084-A1102 HydrophobicContact CE-CB 3.84Å; M1084-A1102 HydrophobicContact SD-CB 4.34Å; M1084-L1103 HydrophobicContact CB-CD2 4.14Å; M1084-L1103 HydrophobicContact SD-CD2 3.94Å; M1084-L1103 HydrophobicContact SD-CG 4.32Å |
| 1085 | V | 86.9 | Confident | 82.7 | Confident | 15 Ų | 15 | 35 Ų | 35 | 9% | 0.091 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.5 | -32.5 | 176 | 168.9 | 0 | 0 | 0 | 0 | 111.8 | M1081 K1082 I1083 T1087 A1088 W1143 L1144 L1151 W1171 | M1081-V1085 VanDerWaalsContact O-CB 3.31Å; M1081-V1085 WeakPolarHBondContact O-CB 3.32Å; M1081-V1085 WeakPolarHBondContact O-CG2 3.4Å; M1081-V1085 PolarHBondContact O-N 3.07Å; K1082-V1085 PolarHBondContact O-N 3.25Å; I1083-V1085 VanDerWaalsContact C-N 3.34Å; I1083-V1085 PolarHBondContact O-N 3.34Å; V1085-T1087 PolarHBondContact O-N 3.26Å; V1085-A1088 VanDerWaalsContact O-CB 3.28Å; V1085-A1088 WeakPolarHBondContact O-CB 3.4Å; V1085-A1088 PolarHBondContact O-N 3.35Å; V1085-A1088 VanDerWaalsContact O-N 3.1Å; V1085-W1143 HydrophobicContact CB-CH2 4.37Å; V1085-W1143 HydrophobicContact CG2-CH2 4.11Å; V1085-W1143 HydrophobicContact CG2-CZ3 4.41Å; V1085-L1144 HydrophobicContact CG2-CD1 3.98Å; V1085-L1151 HydrophobicContact CG1-CD1 4.11Å; V1085-W1171 HydrophobicContact CB-CH2 4.43Å; V1085-W1171 HydrophobicContact CB-CZ3 4.26Å; V1085-W1171 HydrophobicContact CG1-CZ3 4.28Å; V1085-W1171 HydrophobicContact CG2-CH2 4.47Å; V1085-W1171 HydrophobicContact CG2-CZ3 3.92Å |
| 1086 | G | 82.7 | Confident | 83 | Confident | 46 Ų | 46 | 32.1 Ų | 32.1 | 47% | 0.474 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -59.8 | -20.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | K1082 I1083 M1084 A1088 | K1082-G1086 PolarHBondContact O-N 2.87Å; I1083-G1086 PolarHBondContact O-N 3.01Å; M1084-G1086 VanDerWaalsContact C-N 3.3Å; M1084-G1086 PolarHBondContact O-N 3.45Å; G1086-A1088 PolarHBondContact O-N 3.43Å |
| 1087 | T | 83 | Confident | 82.9 | Confident | 4 Ų | 4 | 33.3 Ų | 33.3 | 3% | 0.025 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -75.8 | -0.4 | 174.3 | 70.8 | 0 | 0 | 0 | 0 | 114.2 | I1083 M1084 V1085 E1089 I1090 | I1083-T1087 PolarHBondContact O-N 3.26Å; M1084-T1087 WeakPolarHBondContact O-CB 3.43Å; M1084-T1087 PolarHBondContact O-N 2.93Å; M1084-T1087 VanDerWaalsContact O-N 3.11Å; M1084-T1087 PolarHBondContact O-OG1 2.99Å; V1085-T1087 PolarHBondContact O-N 3.26Å; T1087-E1089 PolarHBondContact O-N 3.09Å; T1087-I1090 HydrophobicContact CG2-CD1 4.5Å; T1087-I1090 WeakPolarHBondContact O-CB 3.23Å; T1087-I1090 PolarHBondContact O-N 2.68Å; T1087-I1090 VanDerWaalsContact O-N 3.12Å |
| 1088 | A | 82.1 | Confident | 82.8 | Confident | 4 Ų | 4 | 33.7 Ų | 33.7 | 3% | 0.033 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -59.8 | -26.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | V1085 G1086 I1090 L1151 V1164 A1167 W1171 | V1085-A1088 VanDerWaalsContact O-CB 3.28Å; V1085-A1088 WeakPolarHBondContact O-CB 3.4Å; V1085-A1088 PolarHBondContact O-N 3.35Å; V1085-A1088 VanDerWaalsContact O-N 3.1Å; G1086-A1088 PolarHBondContact O-N 3.43Å; A1088-I1090 VanDerWaalsContact C-N 3.29Å; A1088-L1151 HydrophobicContact CB-CD1 4.47Å; A1088-V1164 HydrophobicContact CB-CB 4.11Å; A1088-V1164 HydrophobicContact CB-CG1 3.81Å; A1088-V1164 HydrophobicContact CB-CG2 4Å; A1088-V1164 WeakPolarHBondContact O-CA 3.44Å; A1088-V1164 PolarHBondContact O-N 3.27Å; A1088-A1167 HydrophobicContact CB-CB 4.27Å; A1088-W1171 HydrophobicContact CB-CH2 3.66Å; A1088-W1171 HydrophobicContact CB-CZ2 4.23Å; A1088-W1171 HydrophobicContact CB-CZ3 4.46Å |
| 1089 | E | 78.1 | Confident | 82.9 | Confident | 116 Ų | 116 | 31.4 Ų | 31.4 | 54% | 0.542 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -74.5 | -21.6 | -179.8 | -60 | -171.1 | 154.2 | 0 | 0 | 112.4 | V1019 T1087 N1091 V1164 | V1019-E1089 HydrophobicContact CG2-CB 4.38Å; T1087-E1089 PolarHBondContact O-N 3.09Å; E1089-N1091 PolarHBondContact O-N 2.87Å; E1089-V1164 HydrophobicContact CG-CG2 3.8Å |
| 1090 | I | 78.1 | Confident | 83 | Confident | 21 Ų | 21 | 29.6 Ų | 29.6 | 11% | 0.108 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -82.2 | 106.7 | -174.6 | -54.8 | 174.8 | 0 | 0 | 0 | 109.5 | P1017 L1028 T1087 A1088 D1092 L1095 H1096 | P1017-I1090 HydrophobicContact CB-CD1 3.89Å; P1017-I1090 HydrophobicContact CG-CD1 3.68Å; L1028-I1090 HydrophobicContact CD1-CG2 3.95Å; T1087-I1090 HydrophobicContact CG2-CD1 4.5Å; T1087-I1090 WeakPolarHBondContact O-CB 3.23Å; T1087-I1090 PolarHBondContact O-N 2.68Å; T1087-I1090 VanDerWaalsContact O-N 3.12Å; A1088-I1090 VanDerWaalsContact C-N 3.29Å; I1090-D1092 PolarHBondContact O-N 2.7Å; I1090-L1095 HydrophobicContact CG2-CD2 4.31Å; I1090-H1096 PolarHBondContact O-CE1 3.11Å; I1090-H1096 PolarHBondContact O-NE2 2.97Å |
| 1091 | N | 76 | Confident | 82.8 | Confident | 86 Ų | 86 | 31.7 Ų | 31.7 | 46% | 0.46 | 18% | 0.178 | S | C | . | . | trans | -74.9 | 61.2 | -172.6 | -166.3 | 6.8 | 0 | 0 | 0 | 114.3 | E1089 P1163 | E1089-N1091 PolarHBondContact O-N 2.87Å; N1091-P1163 HydrophobicContact CB-CB 4.47Å | ||
| 1092 | D | 77.3 | Confident | 82.9 | Confident | 27 Ų | 27 | 31.7 Ų | 31.7 | 14% | 0.144 | 18% | 0.178 | C | C | . | . | trans | -121.9 | 101.1 | 172.7 | -179.6 | -1.2 | 0 | 0 | 0 | 111.2 | L1028 I1090 S1094 L1095 H1096 | L1028-D1092 HydrophobicContact CD1-CB 3.94Å; L1028-D1092 WeakPolarHBondContact CD1-OD2 3.43Å; I1090-D1092 PolarHBondContact O-N 2.7Å; D1092-S1094 PolarHBondContact O-N 2.94Å; D1092-S1094 WeakPolarHBondContact OD1-CA 3.29Å; D1092-S1094 VanDerWaalsContact OD1-CB 3.28Å; D1092-S1094 WeakPolarHBondContact OD1-CB 3.32Å; D1092-S1094 PolarHBondContact OD1-N 2.96Å; D1092-S1094 PolarHBondContact OD1-OG 3.4Å; D1092-S1094 PolarHBondContact OD2-OG 3.42Å; D1092-L1095 HydrophobicContact CB-CB 3.89Å; D1092-L1095 WeakPolarHBondContact O-CB 3.47Å; D1092-L1095 PolarHBondContact O-N 3.03Å; D1092-L1095 PolarHBondContact OD1-N 2.88Å; D1092-H1096 PolarHBondContact O-CD2 3Å; D1092-H1096 VanDerWaalsContact O-CD2 3.3Å; D1092-H1096 VanDerWaalsContact O-CG 3.3Å; D1092-H1096 PolarHBondContact O-N 3.47Å | ||
| 1093 | P | 77 | Confident | 83 | Confident | 8 Ų | 8 | 26.2 Ų | 26.2 | 5% | 0.052 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.2 | -24.7 | 176.8 | 24.9 | -35.3 | 0 | 0 | 0 | 114.1 | H1096 L1097 L1170 A1294 F1295 | P1093-H1096 PolarHBondContact O-N 3.02Å; P1093-L1097 VanDerWaalsContact O-CG 3.31Å; P1093-L1097 WeakPolarHBondContact O-CG 3.34Å; P1093-L1097 PolarHBondContact O-N 3.33Å; P1093-L1170 HydrophobicContact CB-CD1 3.56Å; P1093-A1294 HydrophobicContact CB-CB 4.11Å; P1093-A1294 HydrophobicContact CG-CB 3.44Å; P1093-A1294 VanDerWaalsContact CG-CB 3.44Å; P1093-F1295 HydrophobicContact CB-CD1 4.41Å; P1093-F1295 HydrophobicContact CB-CE1 3.99Å; P1093-F1295 HydrophobicContact CB-CE2 4.15Å; P1093-F1295 HydrophobicContact CB-CZ 3.81Å; P1093-F1295 HydrophobicContact CG-CE2 4.15Å; P1093-F1295 HydrophobicContact CG-CZ 4.28Å |
| 1094 | S | 76 | Confident | 83.1 | Confident | 45 Ų | 45 | 22.4 Ų | 22.4 | 32% | 0.315 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -74 | -34.6 | 176.9 | 81.4 | 0 | 0 | 0 | 0 | 112.1 | D1092 | D1092-S1094 PolarHBondContact O-N 2.94Å; D1092-S1094 WeakPolarHBondContact OD1-CA 3.29Å; D1092-S1094 VanDerWaalsContact OD1-CB 3.28Å; D1092-S1094 WeakPolarHBondContact OD1-CB 3.32Å; D1092-S1094 PolarHBondContact OD1-N 2.96Å; D1092-S1094 PolarHBondContact OD1-OG 3.4Å; D1092-S1094 PolarHBondContact OD2-OG 3.42Å |
| 1095 | L | 83.7 | Confident | 83 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.7 | -49.4 | 167.3 | -179 | 70.7 | 0 | 0 | 0 | 110.2 | P1017 L1028 L1038 I1090 D1092 L1097 A1098 V1099 | P1017-L1095 HydrophobicContact CG-CD2 3.87Å; L1028-L1095 HydrophobicContact CD1-CD2 3.97Å; L1038-L1095 HydrophobicContact CD1-CD1 3.83Å; I1090-L1095 HydrophobicContact CG2-CD2 4.31Å; D1092-L1095 HydrophobicContact CB-CB 3.89Å; D1092-L1095 WeakPolarHBondContact O-CB 3.47Å; D1092-L1095 PolarHBondContact O-N 3.03Å; D1092-L1095 PolarHBondContact OD1-N 2.88Å; L1095-L1097 VanDerWaalsContact C-N 3.3Å; L1095-L1097 PolarHBondContact O-N 3.36Å; L1095-A1098 CarbonylContact O-C 3.51Å; L1095-A1098 WeakPolarHBondContact O-CA 3.29Å; L1095-A1098 WeakPolarHBondContact O-CB 3.45Å; L1095-A1098 PolarHBondContact O-N 3.08Å; L1095-V1099 HydrophobicContact CG-CG2 4.29Å; L1095-V1099 WeakPolarHBondContact O-CG2 3.48Å; L1095-V1099 PolarHBondContact O-N 3.46Å |
| 1096 | H | 86.7 | Confident | 83 | Confident | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.009 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.8 | -35.3 | -178.2 | -61.8 | -32.4 | 0 | 0 | 0 | 113.4 | I1090 D1092 P1093 V1099 G1100 A1167 L1170 W1171 | I1090-H1096 PolarHBondContact O-CE1 3.11Å; I1090-H1096 PolarHBondContact O-NE2 2.97Å; D1092-H1096 PolarHBondContact O-CD2 3Å; D1092-H1096 VanDerWaalsContact O-CD2 3.3Å; D1092-H1096 VanDerWaalsContact O-CG 3.3Å; D1092-H1096 PolarHBondContact O-N 3.47Å; P1093-H1096 PolarHBondContact O-N 3.02Å; H1096-V1099 PolarHBondContact O-N 3.37Å; H1096-G1100 PolarHBondContact O-N 3.41Å; H1096-A1167 VanDerWaalsContact CE1-CB 3.44Å; H1096-A1167 WeakPolarHBondContact CE1-CB 3.44Å; H1096-A1167 VanDerWaalsContact NE2-CB 3.33Å; H1096-A1167 WeakPolarHBondContact NE2-CB 3.47Å; H1096-L1170 HydrophobicContact CB-CB 4.13Å; H1096-L1170 HydrophobicContact CB-CD1 3.8Å; H1096-W1171 AromaticContact CG-NE1 3.86Å; H1096-W1171 AromaticContact ND1-NE1 3.77Å; H1096-W1171 PolarHBondContact O-NE1 3.42Å |
| 1097 | L | 83.6 | Confident | 83.1 | Confident | 40 Ų | 40 | 20.6 Ų | 20.6 | 21% | 0.209 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.9 | -46.1 | 171.9 | -73.8 | 169.3 | 0 | 0 | 0 | 111.3 | P1093 L1095 G1100 T1101 L1170 N1174 A1298 | P1093-L1097 VanDerWaalsContact O-CG 3.31Å; P1093-L1097 WeakPolarHBondContact O-CG 3.34Å; P1093-L1097 PolarHBondContact O-N 3.33Å; L1095-L1097 VanDerWaalsContact C-N 3.3Å; L1095-L1097 PolarHBondContact O-N 3.36Å; L1097-G1100 PolarHBondContact O-N 2.76Å; L1097-T1101 PolarHBondContact O-N 2.9Å; L1097-T1101 VanDerWaalsContact O-N 3.11Å; L1097-T1101 PolarHBondContact O-OG1 3.33Å; L1097-L1170 HydrophobicContact CD2-CD2 4.16Å; L1097-N1174 VanDerWaalsContact CA-ND2 3.32Å; L1097-N1174 WeakPolarHBondContact CA-ND2 3.42Å; L1097-N1174 VanDerWaalsContact CD2-ND2 3.32Å; L1097-N1174 WeakPolarHBondContact CD2-ND2 3.39Å; L1097-N1174 PolarHBondContact O-ND2 3.47Å; L1097-A1298 HydrophobicContact CD1-CB 4.04Å; L1097-A1298 HydrophobicContact CD2-CB 4.2Å |
| 1098 | A | 83.3 | Confident | 83.1 | Confident | 12 Ų | 12 | 20.5 Ų | 20.5 | 10% | 0.099 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.9 | -35 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q1035 L1038 L1095 T1101 A1102 | Q1035-A1098 HydrophobicContact CG-CB 3.86Å; L1038-A1098 HydrophobicContact CD1-CB 3.73Å; L1095-A1098 CarbonylContact O-C 3.51Å; L1095-A1098 WeakPolarHBondContact O-CA 3.29Å; L1095-A1098 WeakPolarHBondContact O-CB 3.45Å; L1095-A1098 PolarHBondContact O-N 3.08Å; A1098-T1101 PolarHBondContact O-OG1 3.21Å; A1098-A1102 VanDerWaalsContact O-CB 3.3Å; A1098-A1102 WeakPolarHBondContact O-CB 3.45Å; A1098-A1102 PolarHBondContact O-N 3.31Å |
| 1099 | V | 87.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.2 | -45.3 | 172.1 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | L1038 M1084 L1095 H1096 T1101 A1102 L1103 W1171 | L1038-V1099 HydrophobicContact CD1-CG2 3.73Å; L1038-V1099 HydrophobicContact CD2-CG2 3.9Å; M1084-V1099 HydrophobicContact CB-CG1 4.21Å; L1095-V1099 HydrophobicContact CG-CG2 4.29Å; L1095-V1099 WeakPolarHBondContact O-CG2 3.48Å; L1095-V1099 PolarHBondContact O-N 3.46Å; H1096-V1099 PolarHBondContact O-N 3.37Å; V1099-T1101 PolarHBondContact O-N 2.94Å; V1099-A1102 PolarHBondContact O-N 3.14Å; V1099-L1103 HydrophobicContact CG1-CD1 3.83Å; V1099-L1103 HydrophobicContact CG1-CG 4.09Å; V1099-L1103 WeakPolarHBondContact O-CB 3.27Å; V1099-L1103 VanDerWaalsContact O-CG 3.31Å; V1099-L1103 WeakPolarHBondContact O-CG 3.5Å; V1099-L1103 PolarHBondContact O-N 2.81Å; V1099-W1171 HydrophobicContact CG1-CD2 4.18Å; V1099-W1171 HydrophobicContact CG1-CG 4.42Å; V1099-W1171 HydrophobicContact CG1-CZ2 3.92Å |
| 1100 | G | 86.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.2 | -39.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | H1096 L1097 A1104 | H1096-G1100 PolarHBondContact O-N 3.41Å; L1097-G1100 PolarHBondContact O-N 2.76Å; G1100-A1104 PolarHBondContact O-N 3.05Å |
| 1101 | T | 84 | Confident | 82.8 | Confident | 43 Ų | 43 | 15.5 Ų | 15.5 | 26% | 0.264 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -70.9 | -39.1 | 173.5 | 49.3 | 0 | 0 | 0 | 0 | 112.2 | L1097 A1098 V1099 A1104 D1105 N1174 | L1097-T1101 PolarHBondContact O-N 2.9Å; L1097-T1101 VanDerWaalsContact O-N 3.11Å; L1097-T1101 PolarHBondContact O-OG1 3.33Å; A1098-T1101 PolarHBondContact O-OG1 3.21Å; V1099-T1101 PolarHBondContact O-N 2.94Å; T1101-A1104 PolarHBondContact O-N 2.91Å; T1101-D1105 PolarHBondContact O-N 3.43Å; T1101-D1105 VanDerWaalsContact O-N 3.13Å; T1101-N1174 HydrophobicContact CG2-CB 4.2Å |
| 1102 | A | 88.7 | Confident | 82.9 | Confident | 1 Ų | 1 | 11.5 Ų | 11.5 | 1% | 0.008 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -65.5 | -43.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1038 A1042 M1084 A1098 V1099 A1104 D1105 C1106 | L1038-A1102 HydrophobicContact CB-CB 4.17Å; L1038-A1102 HydrophobicContact CD2-CB 4.5Å; A1042-A1102 HydrophobicContact CB-CB 4.1Å; M1084-A1102 HydrophobicContact CE-CB 3.84Å; M1084-A1102 HydrophobicContact SD-CB 4.34Å; A1098-A1102 VanDerWaalsContact O-CB 3.3Å; A1098-A1102 WeakPolarHBondContact O-CB 3.45Å; A1098-A1102 PolarHBondContact O-N 3.31Å; V1099-A1102 PolarHBondContact O-N 3.14Å; A1102-A1104 VanDerWaalsContact C-N 3.29Å; A1102-A1104 PolarHBondContact O-N 2.88Å; A1102-D1105 PolarHBondContact O-N 3.47Å; A1102-C1106 WeakPolarHBondContact O-CB 3.3Å; A1102-C1106 PolarHBondContact O-N 2.67Å; A1102-C1106 PolarHBondContact O-SG 3.45Å |
| 1103 | L | 88.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -58.3 | -41.6 | 174.4 | -75.2 | 173.4 | 0 | 0 | 0 | 111.5 | M1081 M1084 V1099 C1106 I1107 W1171 | M1081-L1103 HydrophobicContact CB-CD2 4.08Å; M1081-L1103 HydrophobicContact CE-CD2 4.17Å; M1081-L1103 HydrophobicContact CG-CD2 3.93Å; M1084-L1103 HydrophobicContact CB-CD2 4.14Å; M1084-L1103 HydrophobicContact SD-CD2 3.94Å; M1084-L1103 HydrophobicContact SD-CG 4.32Å; V1099-L1103 HydrophobicContact CG1-CD1 3.83Å; V1099-L1103 HydrophobicContact CG1-CG 4.09Å; V1099-L1103 WeakPolarHBondContact O-CB 3.27Å; V1099-L1103 VanDerWaalsContact O-CG 3.31Å; V1099-L1103 WeakPolarHBondContact O-CG 3.5Å; V1099-L1103 PolarHBondContact O-N 2.81Å; L1103-C1106 WeakPolarHBondContact O-CB 3.16Å; L1103-C1106 PolarHBondContact O-N 3.08Å; L1103-I1107 WeakPolarHBondContact O-CD1 3.47Å; L1103-I1107 VanDerWaalsContact O-CG1 3.3Å; L1103-I1107 WeakPolarHBondContact O-CG1 3.41Å; L1103-I1107 PolarHBondContact O-N 3.14Å; L1103-W1171 HydrophobicContact CD1-CB 4.24Å; L1103-W1171 HydrophobicContact CD1-CD2 4.04Å; L1103-W1171 HydrophobicContact CD1-CE3 4.06Å; L1103-W1171 HydrophobicContact CD1-CG 4.14Å |
| 1104 | A | 85.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65.5 | -44.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G1100 T1101 A1102 C1106 I1107 L1108 L1175 R1178 | G1100-A1104 PolarHBondContact O-N 3.05Å; T1101-A1104 PolarHBondContact O-N 2.91Å; A1102-A1104 VanDerWaalsContact C-N 3.29Å; A1102-A1104 PolarHBondContact O-N 2.88Å; A1104-C1106 VanDerWaalsContact C-N 3.33Å; A1104-C1106 PolarHBondContact O-N 2.7Å; A1104-I1107 PolarHBondContact O-N 2.97Å; A1104-L1108 WeakPolarHBondContact O-CG 3.41Å; A1104-L1108 PolarHBondContact O-N 3.12Å; A1104-L1108 VanDerWaalsContact O-N 3.08Å; A1104-L1175 HydrophobicContact CB-CD2 3.69Å; A1104-L1175 HydrophobicContact CB-CG 4.43Å; A1104-R1178 HydrophobicContact CB-CB 3.49Å; A1104-R1178 VanDerWaalsContact CB-CB 3.49Å; A1104-R1178 HydrophobicContact CB-CG 3.55Å |
| 1105 | D | 86.6 | Confident | 82.6 | Confident | 12 Ų | 12 | 14.2 Ų | 14.2 | 6% | 0.064 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -68.4 | -31 | 174.8 | -72 | -18.2 | 0 | 0 | 0 | 112.1 | A1042 M1046 T1101 A1102 I1107 G1109 R1178 | A1042-D1105 HydrophobicContact CB-CB 3.99Å; M1046-D1105 HydrophobicContact CG-CB 4.37Å; M1046-D1105 HydrophobicContact SD-CB 4.15Å; T1101-D1105 PolarHBondContact O-N 3.43Å; T1101-D1105 VanDerWaalsContact O-N 3.13Å; A1102-D1105 PolarHBondContact O-N 3.47Å; D1105-I1107 VanDerWaalsContact C-N 3.33Å; D1105-I1107 PolarHBondContact O-N 2.78Å; D1105-G1109 PolarHBondContact O-N 3.29Å; D1105-R1178 VanDerWaalsContact CG-NH2 3.33Å; D1105-R1178 IonicContact OD1-CZ 2.7Å; D1105-R1178 IonicContact OD1-NE 2.67Å; D1105-R1178 PolarHBondContact OD1-NE 3.19Å; D1105-R1178 IonicContact OD1-NH2 3.9Å; D1105-R1178 PolarHBondContact OD1-NH2 3.31Å; D1105-R1178 VanDerWaalsContact OD1-NH2 3.15Å; D1105-R1178 IonicContact OD2-CZ 3.2Å; D1105-R1178 IonicContact OD2-NE 3.73Å; D1105-R1178 PolarHBondContact OD2-NE 3.28Å; D1105-R1178 IonicContact OD2-NH2 3.78Å; D1105-R1178 PolarHBondContact OD2-NH2 3.28Å |
| 1106 | C | 87.4 | Confident | 82 | Confident | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.014 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.1 | -31.9 | 171.4 | -71 | 0 | 0 | 0 | 0 | 113.5 | C1045 T1077 M1081 A1102 L1103 A1104 | C1045-C1106 HydrophobicContact CB-CB 4.3Å; T1077-C1106 HydrophobicContact CG2-CB 4.41Å; M1081-C1106 HydrophobicContact CG-CB 4.24Å; M1081-C1106 HydrophobicContact SD-CB 4.31Å; A1102-C1106 WeakPolarHBondContact O-CB 3.3Å; A1102-C1106 PolarHBondContact O-N 2.67Å; A1102-C1106 PolarHBondContact O-SG 3.45Å; L1103-C1106 WeakPolarHBondContact O-CB 3.16Å; L1103-C1106 PolarHBondContact O-N 3.08Å; A1104-C1106 VanDerWaalsContact C-N 3.33Å; A1104-C1106 PolarHBondContact O-N 2.7Å |
| 1107 | I | 85 | Confident | 81 | Confident | 8 Ų | 8 | 19.4 Ų | 19.4 | 4% | 0.041 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -75.8 | -45.7 | 175.9 | -67.1 | 157.9 | 0 | 0 | 0 | 110.8 | M1081 L1103 A1104 D1105 G1109 A1141 L1144 L1175 L1186 | M1081-I1107 HydrophobicContact CE-CD1 4.47Å; M1081-I1107 HydrophobicContact CE-CG1 4Å; L1103-I1107 WeakPolarHBondContact O-CD1 3.47Å; L1103-I1107 VanDerWaalsContact O-CG1 3.3Å; L1103-I1107 WeakPolarHBondContact O-CG1 3.41Å; L1103-I1107 PolarHBondContact O-N 3.14Å; A1104-I1107 PolarHBondContact O-N 2.97Å; D1105-I1107 VanDerWaalsContact C-N 3.33Å; D1105-I1107 PolarHBondContact O-N 2.78Å; I1107-G1109 VanDerWaalsContact C-N 3.33Å; I1107-A1141 HydrophobicContact CG2-CB 4.27Å; I1107-L1144 HydrophobicContact CD1-CD2 3.73Å; I1107-L1175 HydrophobicContact CD1-CD2 3.56Å; I1107-L1186 HydrophobicContact CD1-CD1 4.25Å |
| 1108 | L | 82.5 | Confident | 80 | Confident | 3 Ų | 3 | 19.9 Ų | 19.9 | 2% | 0.016 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.9 | -35.6 | 178.4 | -67.4 | 175.3 | 0 | 0 | 0 | 112.2 | A1104 I1111 I1127 L1132 L1179 | A1104-L1108 WeakPolarHBondContact O-CG 3.41Å; A1104-L1108 PolarHBondContact O-N 3.12Å; A1104-L1108 VanDerWaalsContact O-N 3.08Å; L1108-I1111 HydrophobicContact CD2-CG2 4.41Å; L1108-I1111 WeakPolarHBondContact O-CB 3.19Å; L1108-I1111 PolarHBondContact O-N 2.75Å; L1108-I1127 HydrophobicContact CD1-CD1 3.59Å; L1108-I1127 HydrophobicContact CD2-CD1 3.98Å; L1108-I1127 HydrophobicContact CD2-CG2 4.23Å; L1108-I1127 HydrophobicContact CG-CD1 4.46Å; L1108-L1132 HydrophobicContact CD2-CD1 3.86Å; L1108-L1179 HydrophobicContact CD1-CD2 3.89Å; L1108-L1179 HydrophobicContact CD2-CD2 3.59Å; L1108-L1179 HydrophobicContact CG-CD2 3.58Å |
| 1109 | G | 79.6 | Confident | 78.8 | Confident | 5 Ų | 5 | 20.9 Ų | 20.9 | 5% | 0.052 | 10% | 0.098 | C | C | . | . | G | 310 helix | trans | 49.2 | -123.6 | -174 | 0 | 0 | 0 | 0 | 0 | 111 | C1045 M1046 D1105 I1107 I1111 S1112 | C1045-G1109 WeakPolarHBondContact O-CA 3.37Å; M1046-G1109 WeakPolarHBondContact CA-O 3.38Å; D1105-G1109 PolarHBondContact O-N 3.29Å; I1107-G1109 VanDerWaalsContact C-N 3.33Å; G1109-I1111 PolarHBondContact O-N 3.15Å; G1109-S1112 VanDerWaalsContact O-CB 3.27Å; G1109-S1112 WeakPolarHBondContact O-CB 3.04Å; G1109-S1112 PolarHBondContact O-N 3.22Å; G1109-S1112 VanDerWaalsContact O-N 3.08Å; G1109-S1112 PolarHBondContact O-OG 2.95Å |
| 1110 | P | 76.4 | Confident | 77.4 | Confident | 10 Ų | 10 | 24.7 Ų | 24.7 | 7% | 0.065 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -65.8 | -8.6 | -177.3 | 26.8 | -35.1 | 0 | 0 | 0 | 116 | M1046 E1048 P1071 | M1046-P1110 WeakPolarHBondContact O-CA 3.25Å; E1048-P1110 VanDerWaalsContact O-CB 3.28Å; E1048-P1110 WeakPolarHBondContact O-CB 3Å; P1071-P1110 HydrophobicContact CB-CG 3.67Å |
| 1111 | I | 76.3 | Confident | 76.2 | Confident | 21 Ų | 21 | 26.2 Ų | 26.2 | 11% | 0.108 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -86.2 | -11.5 | 176.9 | -61.2 | 155.2 | 0 | 0 | 0 | 111.5 | P1071 L1108 G1109 I1127 A1135 | P1071-I1111 HydrophobicContact CB-CD1 4.47Å; P1071-I1111 HydrophobicContact CG-CD1 4.1Å; L1108-I1111 HydrophobicContact CD2-CG2 4.41Å; L1108-I1111 WeakPolarHBondContact O-CB 3.19Å; L1108-I1111 PolarHBondContact O-N 2.75Å; G1109-I1111 PolarHBondContact O-N 3.15Å; I1111-I1127 HydrophobicContact CG2-CG2 3.68Å; I1111-A1135 HydrophobicContact CD1-CB 4.2Å |
| 1112 | S | 79.3 | Confident | 74.8 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.014 | 14% | 0.142 | C | C | . | . | trans | -58.7 | 129.2 | -177.9 | 53.7 | 0 | 0 | 0 | 0 | 112.8 | M1046 G1109 Y1114 R1115 | M1046-S1112 WeakPolarHBondContact CG-OG 3.25Å; M1046-S1112 PolarHBondContact SD-OG 3.46Å; G1109-S1112 VanDerWaalsContact O-CB 3.27Å; G1109-S1112 WeakPolarHBondContact O-CB 3.04Å; G1109-S1112 PolarHBondContact O-N 3.22Å; G1109-S1112 VanDerWaalsContact O-N 3.08Å; G1109-S1112 PolarHBondContact O-OG 2.95Å; S1112-Y1114 PolarHBondContact O-N 2.89Å; S1112-Y1114 VanDerWaalsContact O-N 3.1Å; S1112-R1115 VanDerWaalsContact O-CB 3.27Å; S1112-R1115 WeakPolarHBondContact O-CB 3.39Å; S1112-R1115 PolarHBondContact O-N 3.3Å; S1112-R1115 VanDerWaalsContact O-N 3.16Å | ||
| 1113 | P | 72.8 | Confident | 73 | Confident | 24 Ų | 24 | 32.8 Ų | 32.8 | 16% | 0.156 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -12.3 | -179.9 | 21.6 | -26.1 | 0 | 0 | 0 | 113 | R1121 L1125 I1127 | P1113-R1121 WeakPolarHBondContact O-CD 3.44Å; P1113-R1121 WeakPolarHBondContact O-CG 3.18Å; P1113-R1121 PolarHBondContact O-NE 3.23Å; P1113-L1125 HydrophobicContact CB-CB 4.27Å; P1113-L1125 HydrophobicContact CB-CD2 4.43Å; P1113-L1125 HydrophobicContact CG-CB 4.49Å; P1113-I1127 HydrophobicContact CG-CD1 4.47Å; P1113-I1127 HydrophobicContact CG-CG1 4.12Å |
| 1114 | Y | 75.5 | Confident | 71 | Confident | 77 Ų | 77 | 36.6 Ų | 36.6 | 30% | 0.302 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 0.2 | 179.3 | -75.5 | -119.2 | 0 | 0 | 0 | 113.4 | S1112 F1116 R1121 L1125 R1178 | S1112-Y1114 PolarHBondContact O-N 2.89Å; S1112-Y1114 VanDerWaalsContact O-N 3.1Å; Y1114-F1116 PolarHBondContact O-N 3.04Å; Y1114-R1121 PolarHBondContact O-NH2 2.76Å; Y1114-L1125 HydrophobicContact CE2-CD1 3.65Å; Y1114-R1178 VanDerWaalsContact CD2-CZ 3.47Å |
| 1115 | R | 74.1 | Confident | 69.7 | Low | 36 Ų | 36 | 38.8 Ų | 38.8 | 14% | 0.136 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -51.7 | -42.5 | 168.4 | -176.5 | -173.3 | -179.1 | 128.4 | 17.9 | 112.2 | R978 S1112 | R978-R1115 WeakPolarHBondContact CD-O 3.42Å; R978-R1115 VanDerWaalsContact CG-O 3.27Å; R978-R1115 WeakPolarHBondContact CG-O 3.34Å; R978-R1115 WeakPolarHBondContact O-CG 3.46Å; S1112-R1115 VanDerWaalsContact O-CB 3.27Å; S1112-R1115 WeakPolarHBondContact O-CB 3.39Å; S1112-R1115 PolarHBondContact O-N 3.3Å; S1112-R1115 VanDerWaalsContact O-N 3.16Å |
| 1116 | F | 71.3 | Confident | 68.6 | Low | 107 Ų | 107 | 43.6 Ų | 43.6 | 47% | 0.469 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -90 | 165.5 | -177.7 | -59.6 | -70.8 | 0 | 0 | 0 | 112.5 | Y1114 E1120 R1121 | Y1114-F1116 PolarHBondContact O-N 3.04Å; F1116-E1120 HydrophobicContact CB-CB 3.87Å; F1116-R1121 PolarHBondContact O-NE 2.99Å; F1116-R1121 VanDerWaalsContact O-NE 3.13Å; F1116-R1121 PolarHBondContact O-NH2 2.93Å |
| 1117 | H | 67.2 | Low | 67.7 | Low | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.019 | 22% | 0.221 | C | C | . | . | trans | -58.2 | 152.5 | 171.1 | -64.4 | 74.9 | 0 | 0 | 0 | 111 | E776 Y866 E869 R978 Y1119 E1120 R1121 | E776-H1117 IonicContact OE1-CD2 2.75Å; Y866-H1117 AromaticContact CD1-NE2 3.33Å; Y866-H1117 VanDerWaalsContact CD1-NE2 3.33Å; Y866-H1117 WeakPolarHBondContact CD1-NE2 3.14Å; Y866-H1117 AromaticContact CE1-CD2 3.53Å; Y866-H1117 AromaticContact CE1-NE2 3.2Å; Y866-H1117 WeakPolarHBondContact CE1-NE2 3.23Å; E869-H1117 IonicContact OE2-CE1 2.7Å; E869-H1117 PolarHBondContact OE2-CE1 3.3Å; E869-H1117 VanDerWaalsContact OE2-CE1 3.26Å; E869-H1117 IonicContact OE2-NE2 3.31Å; R978-H1117 PolarHBondContact NH2-CD2 3.23Å; R978-H1117 PolarHBondContact NH2-CE1 2.79Å; R978-H1117 PolarHBondContact NH2-NE2 3.45Å; H1117-Y1119 HydrophobicContact CB-CD1 3.77Å; H1117-Y1119 HydrophobicContact CB-CE1 3.28Å; H1117-Y1119 HydrophobicContact CB-CE2 4.21Å; H1117-Y1119 HydrophobicContact CB-CG 4.38Å; H1117-Y1119 VanDerWaalsContact CB-CZ 3.47Å; H1117-Y1119 AromaticContact CD2-CE1 3.55Å; H1117-Y1119 AromaticContact CD2-CZ 3.86Å; H1117-Y1119 PolarHBondContact CD2-OH 2.99Å; H1117-Y1119 AromaticContact CG-CE1 3.58Å; H1117-Y1119 AromaticContact CG-CZ 3.62Å; H1117-Y1119 PolarHBondContact ND1-OH 3.36Å; H1117-Y1119 PolarHBondContact O-N 2.97Å; H1117-E1120 HydrophobicContact CB-CB 4.08Å; H1117-E1120 HydrophobicContact CB-CG 4.2Å; H1117-E1120 WeakPolarHBondContact CB-OE2 3.3Å; H1117-E1120 IonicContact CE1-OE1 3.79Å; H1117-E1120 IonicContact CE1-OE2 3.25Å; H1117-E1120 IonicContact CG-OE1 2.77Å; H1117-E1120 IonicContact CG-OE2 2.7Å; H1117-E1120 PolarHBondContact N-OE2 2.78Å; H1117-E1120 VanDerWaalsContact ND1-CD 3.26Å; H1117-E1120 IonicContact ND1-OE1 3.63Å; H1117-E1120 PolarHBondContact ND1-OE1 3.25Å; H1117-E1120 IonicContact ND1-OE2 3.12Å; H1117-E1120 PolarHBondContact ND1-OE2 3.04Å; H1117-E1120 WeakPolarHBondContact O-CB 3.41Å; H1117-E1120 PolarHBondContact O-N 3.05Å; H1117-R1121 WeakPolarHBondContact O-CG 3.39Å; H1117-R1121 PolarHBondContact O-N 3.17Å | ||
| 1118 | W | 60.7 | Low | 67 | Low | 50 Ų | 50 | 47.9 Ų | 47.9 | 19% | 0.189 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -26.7 | -175.8 | 73 | -89.7 | 0 | 0 | 0 | 113 | N773 E776 E777 | N773-W1118 VanDerWaalsContact CA-CZ2 3.43Å; N773-W1118 HydrophobicContact CB-CH2 3.66Å; N773-W1118 HydrophobicContact CB-CZ2 3.6Å; N773-W1118 HydrophobicContact CB-CZ3 4.36Å; N773-W1118 WeakPolarHBondContact O-CH2 3.45Å; N773-W1118 WeakPolarHBondContact O-CZ2 3.47Å; E776-W1118 HydrophobicContact CB-CZ2 4.16Å; E776-W1118 PolarHBondContact OE2-NE1 3.05Å; E777-W1118 HydrophobicContact CB-CH2 3.69Å; E777-W1118 HydrophobicContact CB-CZ2 4.07Å; E777-W1118 HydrophobicContact CG-CH2 3.87Å; E777-W1118 HydrophobicContact CG-CZ3 4.46Å; E777-W1118 WeakPolarHBondContact OE2-CH2 3.31Å |
| 1119 | Y | 58.6 | Low | 66.3 | Low | 34 Ų | 34 | 51 Ų | 51 | 13% | 0.133 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -12.3 | 172 | 71.2 | -98.4 | 0 | 0 | 0 | 113.9 | E776 V780 R870 H1117 | E776-Y1119 HydrophobicContact CG-CD1 3.84Å; E776-Y1119 HydrophobicContact CG-CE1 4.04Å; E776-Y1119 WeakPolarHBondContact OE1-CD1 3.38Å; E776-Y1119 WeakPolarHBondContact OE1-CE1 3.39Å; V780-Y1119 HydrophobicContact CB-CE2 4.45Å; V780-Y1119 HydrophobicContact CG1-CD2 3.88Å; V780-Y1119 HydrophobicContact CG1-CE1 4.37Å; V780-Y1119 HydrophobicContact CG1-CE2 3.48Å; V780-Y1119 VanDerWaalsContact CG1-CE2 3.48Å; V780-Y1119 HydrophobicContact CG2-CE1 4.26Å; R870-Y1119 PolarHBondContact NH2-OH 3.06Å; H1117-Y1119 HydrophobicContact CB-CD1 3.77Å; H1117-Y1119 HydrophobicContact CB-CE1 3.28Å; H1117-Y1119 HydrophobicContact CB-CE2 4.21Å; H1117-Y1119 HydrophobicContact CB-CG 4.38Å; H1117-Y1119 VanDerWaalsContact CB-CZ 3.47Å; H1117-Y1119 AromaticContact CD2-CE1 3.55Å; H1117-Y1119 AromaticContact CD2-CZ 3.86Å; H1117-Y1119 PolarHBondContact CD2-OH 2.99Å; H1117-Y1119 AromaticContact CG-CE1 3.58Å; H1117-Y1119 AromaticContact CG-CZ 3.62Å; H1117-Y1119 PolarHBondContact ND1-OH 3.36Å; H1117-Y1119 PolarHBondContact O-N 2.97Å |
| 1120 | E | 59.4 | Low | 65.8 | Low | 79 Ų | 79 | 57.2 Ų | 57.2 | 37% | 0.369 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -10.3 | 172.7 | -88.7 | 153 | -156.3 | 0 | 0 | 112 | F1116 H1117 | F1116-E1120 HydrophobicContact CB-CB 3.87Å; H1117-E1120 HydrophobicContact CB-CB 4.08Å; H1117-E1120 HydrophobicContact CB-CG 4.2Å; H1117-E1120 WeakPolarHBondContact CB-OE2 3.3Å; H1117-E1120 IonicContact CE1-OE1 3.79Å; H1117-E1120 IonicContact CE1-OE2 3.25Å; H1117-E1120 IonicContact CG-OE1 2.77Å; H1117-E1120 IonicContact CG-OE2 2.7Å; H1117-E1120 PolarHBondContact N-OE2 2.78Å; H1117-E1120 VanDerWaalsContact ND1-CD 3.26Å; H1117-E1120 IonicContact ND1-OE1 3.63Å; H1117-E1120 PolarHBondContact ND1-OE1 3.25Å; H1117-E1120 IonicContact ND1-OE2 3.12Å; H1117-E1120 PolarHBondContact ND1-OE2 3.04Å; H1117-E1120 WeakPolarHBondContact O-CB 3.41Å; H1117-E1120 PolarHBondContact O-N 3.05Å |
| 1121 | R | 61.6 | Low | 65.6 | Low | 33 Ų | 33 | 58.7 Ų | 58.7 | 13% | 0.125 | 31% | 0.308 | C | S | . | . | trans | -78.2 | 129.4 | 179.6 | -71.9 | 167.9 | -153.7 | 161.6 | 2.5 | 110.3 | P1113 Y1114 F1116 H1117 Y1123 L1125 | P1113-R1121 WeakPolarHBondContact O-CD 3.44Å; P1113-R1121 WeakPolarHBondContact O-CG 3.18Å; P1113-R1121 PolarHBondContact O-NE 3.23Å; Y1114-R1121 PolarHBondContact O-NH2 2.76Å; F1116-R1121 PolarHBondContact O-NE 2.99Å; F1116-R1121 VanDerWaalsContact O-NE 3.13Å; F1116-R1121 PolarHBondContact O-NH2 2.93Å; H1117-R1121 WeakPolarHBondContact O-CG 3.39Å; H1117-R1121 PolarHBondContact O-N 3.17Å; R1121-Y1123 HydrophobicContact CB-CD2 4.4Å; R1121-Y1123 HydrophobicContact CB-CE2 3.79Å; R1121-Y1123 WeakPolarHBondContact O-CD2 3.36Å; R1121-L1125 HydrophobicContact CB-CD2 3.62Å; R1121-L1125 HydrophobicContact CG-CD2 3.96Å | ||
| 1122 | N | 54.4 | Low | 65.5 | Low | 132 Ų | 132 | 58.4 Ų | 58.4 | 71% | 0.706 | 31% | 0.306 | S | S | * | . | trans | -73.8 | 133.7 | 163.2 | -59.5 | -37.7 | 0 | 0 | 0 | 108.7 | ||||
| 1123 | Y | 49.5 | Very low | 65.2 | Low | 50 Ų | 50 | 62.1 Ų | 62.1 | 20% | 0.196 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -105.5 | 149.2 | 174.2 | -73.5 | -99.3 | 0 | 0 | 0 | 110.8 | E685 R1121 L1125 | E685-Y1123 HydrophobicContact CB-CD1 4.46Å; E685-Y1123 HydrophobicContact CB-CE1 4.29Å; E685-Y1123 WeakPolarHBondContact OE2-CE1 3.44Å; R1121-Y1123 HydrophobicContact CB-CD2 4.4Å; R1121-Y1123 HydrophobicContact CB-CE2 3.79Å; R1121-Y1123 WeakPolarHBondContact O-CD2 3.36Å; Y1123-L1125 HydrophobicContact CD1-CD1 4.42Å; Y1123-L1125 HydrophobicContact CD1-CD2 4.16Å; Y1123-L1125 HydrophobicContact CD1-CG 3.89Å; Y1123-L1125 HydrophobicContact CE1-CD1 3.78Å; Y1123-L1125 HydrophobicContact CE1-CD2 3.87Å; Y1123-L1125 HydrophobicContact CE1-CG 3.69Å; Y1123-L1125 HydrophobicContact CE2-CD2 4.29Å; Y1123-L1125 HydrophobicContact CG-CD2 4.48Å |
| 1124 | P | 47.1 | Very low | 65.2 | Low | 79 Ų | 79 | 63.5 Ų | 63.5 | 51% | 0.513 | 34% | 0.339 | S | S | . | . | S | Bend | cis | -64.8 | 155.9 | -10.4 | 25.8 | -33.7 | 0 | 0 | 0 | 112.5 | V1126 | P1124-V1126 HydrophobicContact CB-CG2 4.38Å; P1124-V1126 HydrophobicContact CG-CG2 4.06Å; P1124-V1126 PolarHBondContact O-N 3.4Å |
| 1125 | L | 59.1 | Low | 65.2 | Low | 46 Ų | 46 | 60.6 Ų | 60.6 | 24% | 0.241 | 33% | 0.331 | C | S | . | . | trans | -73.8 | 60.8 | -172.4 | -60.5 | 172.4 | 0 | 0 | 0 | 113.1 | P1113 Y1114 R1121 Y1123 | P1113-L1125 HydrophobicContact CB-CB 4.27Å; P1113-L1125 HydrophobicContact CB-CD2 4.43Å; P1113-L1125 HydrophobicContact CG-CB 4.49Å; Y1114-L1125 HydrophobicContact CE2-CD1 3.65Å; R1121-L1125 HydrophobicContact CB-CD2 3.62Å; R1121-L1125 HydrophobicContact CG-CD2 3.96Å; Y1123-L1125 HydrophobicContact CD1-CD1 4.42Å; Y1123-L1125 HydrophobicContact CD1-CD2 4.16Å; Y1123-L1125 HydrophobicContact CD1-CG 3.89Å; Y1123-L1125 HydrophobicContact CE1-CD1 3.78Å; Y1123-L1125 HydrophobicContact CE1-CD2 3.87Å; Y1123-L1125 HydrophobicContact CE1-CG 3.69Å; Y1123-L1125 HydrophobicContact CE2-CD2 4.29Å; Y1123-L1125 HydrophobicContact CG-CD2 4.48Å | ||
| 1126 | V | 62.3 | Low | 65.3 | Low | 114 Ų | 114 | 58.9 Ų | 58.9 | 69% | 0.691 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -79.1 | 126.8 | -173.7 | 178.6 | 0 | 0 | 0 | 0 | 111.7 | P1124 | P1124-V1126 HydrophobicContact CB-CG2 4.38Å; P1124-V1126 HydrophobicContact CG-CG2 4.06Å; P1124-V1126 PolarHBondContact O-N 3.4Å |
| 1127 | I | 69.1 | Low | 65.5 | Low | 21 Ų | 21 | 57 Ų | 57 | 11% | 0.108 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -87.2 | 127.3 | 172.9 | -60.1 | 165.1 | 0 | 0 | 0 | 108.9 | L1108 I1111 P1113 A1129 L1132 R1178 | L1108-I1127 HydrophobicContact CD1-CD1 3.59Å; L1108-I1127 HydrophobicContact CD2-CD1 3.98Å; L1108-I1127 HydrophobicContact CD2-CG2 4.23Å; L1108-I1127 HydrophobicContact CG-CD1 4.46Å; I1111-I1127 HydrophobicContact CG2-CG2 3.68Å; P1113-I1127 HydrophobicContact CG-CD1 4.47Å; P1113-I1127 HydrophobicContact CG-CG1 4.12Å; I1127-A1129 PolarHBondContact O-N 2.85Å; I1127-L1132 HydrophobicContact CG2-CB 4.03Å; I1127-L1132 HydrophobicContact CG2-CD1 4.45Å; I1127-R1178 WeakPolarHBondContact CD1-O 3.33Å |
| 1128 | P | 69.4 | Low | 66 | Low | 78 Ų | 78 | 57.7 Ų | 57.7 | 51% | 0.506 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -61 | 121.3 | 178.5 | -25.1 | 34.9 | 0 | 0 | 0 | 112.3 | H1130 S1131 L1132 | P1128-H1130 VanDerWaalsContact C-N 3.3Å; P1128-H1130 PolarHBondContact O-N 3.31Å; P1128-S1131 WeakPolarHBondContact O-CA 3.29Å; P1128-S1131 WeakPolarHBondContact O-CB 3.49Å; P1128-S1131 PolarHBondContact O-N 3.5Å; P1128-L1132 PolarHBondContact O-N 3.49Å |
| 1129 | A | 68.7 | Low | 66.9 | Low | 68 Ų | 68 | 59.5 Ų | 59.5 | 56% | 0.562 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -56.5 | -37.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | I1127 S1131 L1132 N1133 | I1127-A1129 PolarHBondContact O-N 2.85Å; A1129-S1131 VanDerWaalsContact C-N 3.28Å; A1129-S1131 PolarHBondContact O-N 2.75Å; A1129-L1132 PolarHBondContact O-N 3.3Å; A1129-N1133 WeakPolarHBondContact O-CB 3.02Å; A1129-N1133 PolarHBondContact O-N 2.77Å |
| 1130 | H | 70 | Confident | 68.1 | Low | 136 Ų | 136 | 58.7 Ų | 58.7 | 63% | 0.63 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -65.4 | -31.4 | 175.6 | -166.6 | -40.9 | 0 | 0 | 0 | 112.3 | P1128 A1134 | P1128-H1130 VanDerWaalsContact C-N 3.3Å; P1128-H1130 PolarHBondContact O-N 3.31Å; H1130-A1134 PolarHBondContact O-N 3.4Å |
| 1131 | S | 70.7 | Confident | 69.2 | Low | 41 Ų | 41 | 54.9 Ų | 54.9 | 29% | 0.287 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -77.8 | -40.9 | 175.6 | -60.4 | 0 | 0 | 0 | 0 | 111.4 | P1128 A1129 A1134 A1135 | P1128-S1131 WeakPolarHBondContact O-CA 3.29Å; P1128-S1131 WeakPolarHBondContact O-CB 3.49Å; P1128-S1131 PolarHBondContact O-N 3.5Å; A1129-S1131 VanDerWaalsContact C-N 3.28Å; A1129-S1131 PolarHBondContact O-N 2.75Å; S1131-A1134 PolarHBondContact O-N 3.32Å; S1131-A1135 PolarHBondContact O-N 2.88Å |
| 1132 | L | 74.1 | Confident | 70.3 | Confident | 16 Ų | 16 | 60.9 Ų | 60.9 | 8% | 0.084 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.2 | -48.3 | 173.4 | -177.4 | 64.1 | 0 | 0 | 0 | 111.4 | L1108 I1127 P1128 A1129 A1134 A1135 V1136 L1179 | L1108-L1132 HydrophobicContact CD2-CD1 3.86Å; I1127-L1132 HydrophobicContact CG2-CB 4.03Å; I1127-L1132 HydrophobicContact CG2-CD1 4.45Å; P1128-L1132 PolarHBondContact O-N 3.49Å; A1129-L1132 PolarHBondContact O-N 3.3Å; L1132-A1134 VanDerWaalsContact C-N 3.27Å; L1132-A1134 PolarHBondContact O-N 2.7Å; L1132-A1135 PolarHBondContact O-N 3.43Å; L1132-A1135 VanDerWaalsContact O-N 3.17Å; L1132-V1136 HydrophobicContact CD1-CG2 4.03Å; L1132-V1136 HydrophobicContact CG-CG2 4.38Å; L1132-V1136 WeakPolarHBondContact O-CG2 3.31Å; L1132-V1136 PolarHBondContact O-N 3.29Å; L1132-L1179 HydrophobicContact CD1-CB 4.3Å; L1132-L1179 HydrophobicContact CD1-CD2 4.09Å; L1132-L1179 WeakPolarHBondContact CD2-O 3.23Å |
| 1133 | N | 73.5 | Confident | 71.8 | Confident | 79 Ų | 79 | 56.7 Ų | 56.7 | 42% | 0.422 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.6 | -30.2 | 176.9 | -78.7 | -23.9 | 0 | 0 | 0 | 113.1 | A1129 N1137 | A1129-N1133 WeakPolarHBondContact O-CB 3.02Å; A1129-N1133 PolarHBondContact O-N 2.77Å; N1133-N1137 WeakPolarHBondContact O-CB 3.35Å; N1133-N1137 PolarHBondContact O-N 3.4Å; N1133-N1137 PolarHBondContact O-ND2 2.74Å |
| 1134 | A | 73.1 | Confident | 73.6 | Confident | 53 Ų | 53 | 54.3 Ų | 54.3 | 44% | 0.438 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -71.4 | -40.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | H1130 S1131 L1132 | H1130-A1134 PolarHBondContact O-N 3.4Å; S1131-A1134 PolarHBondContact O-N 3.32Å; L1132-A1134 VanDerWaalsContact C-N 3.27Å; L1132-A1134 PolarHBondContact O-N 2.7Å |
| 1135 | A | 75.4 | Confident | 75.3 | Confident | 16 Ų | 16 | 51.3 Ų | 51.3 | 13% | 0.132 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.5 | -48.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1111 S1131 L1132 N1137 G1138 | I1111-A1135 HydrophobicContact CD1-CB 4.2Å; S1131-A1135 PolarHBondContact O-N 2.88Å; L1132-A1135 PolarHBondContact O-N 3.43Å; L1132-A1135 VanDerWaalsContact O-N 3.17Å; A1135-N1137 VanDerWaalsContact C-N 3.35Å; A1135-N1137 PolarHBondContact O-N 3.33Å; A1135-G1138 PolarHBondContact O-N 2.9Å |
| 1136 | V | 75.8 | Confident | 76.6 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69 | -30.5 | -176.6 | 175.5 | 0 | 0 | 0 | 0 | 112.7 | L1132 G1138 A1141 P1183 L1186 | L1132-V1136 HydrophobicContact CD1-CG2 4.03Å; L1132-V1136 HydrophobicContact CG-CG2 4.38Å; L1132-V1136 WeakPolarHBondContact O-CG2 3.31Å; L1132-V1136 PolarHBondContact O-N 3.29Å; V1136-G1138 PolarHBondContact O-N 3.18Å; V1136-A1141 WeakPolarHBondContact O-CB 3.39Å; V1136-P1183 HydrophobicContact CB-CG 4.06Å; V1136-P1183 HydrophobicContact CG1-CB 3.83Å; V1136-P1183 HydrophobicContact CG1-CG 3.78Å; V1136-P1183 HydrophobicContact CG2-CG 4.22Å; V1136-L1186 HydrophobicContact CG1-CB 3.9Å; V1136-L1186 HydrophobicContact CG1-CD1 4.18Å |
| 1137 | N | 75 | Confident | 77.7 | Confident | 68 Ų | 68 | 51.7 Ų | 51.7 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 1.4 | 173.3 | -68.4 | -56.6 | 0 | 0 | 0 | 113.6 | N1133 A1135 R1142 S1185 | N1133-N1137 WeakPolarHBondContact O-CB 3.35Å; N1133-N1137 PolarHBondContact O-N 3.4Å; N1133-N1137 PolarHBondContact O-ND2 2.74Å; A1135-N1137 VanDerWaalsContact C-N 3.35Å; A1135-N1137 PolarHBondContact O-N 3.33Å; N1137-R1142 VanDerWaalsContact O-CZ 3.27Å; N1137-R1142 PolarHBondContact O-NE 2.95Å; N1137-R1142 PolarHBondContact O-NH2 3Å; N1137-S1185 WeakPolarHBondContact OD1-CB 3.43Å; N1137-S1185 PolarHBondContact OD1-OG 2.72Å |
| 1138 | G | 79.5 | Confident | 78.5 | Confident | 17 Ų | 17 | 50.8 Ų | 50.8 | 18% | 0.175 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -76 | 168.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | A1135 V1136 N1140 A1141 R1142 | A1135-G1138 PolarHBondContact O-N 2.9Å; V1136-G1138 PolarHBondContact O-N 3.18Å; G1138-N1140 VanDerWaalsContact C-N 3.34Å; G1138-N1140 PolarHBondContact O-N 3.42Å; G1138-A1141 PolarHBondContact O-N 2.99Å; G1138-R1142 WeakPolarHBondContact O-CG 3.48Å; G1138-R1142 PolarHBondContact O-N 3.36Å |
| 1139 | P | 79.7 | Confident | 79.2 | Confident | 88 Ų | 88 | 53.8 Ų | 53.8 | 57% | 0.571 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.5 | -34.8 | -174.3 | 26 | -34.5 | 0 | 0 | 0 | 113.4 | R1142 W1143 | P1139-R1142 PolarHBondContact O-N 3.04Å; P1139-W1143 WeakPolarHBondContact O-CB 3.26Å; P1139-W1143 PolarHBondContact O-N 3.19Å |
| 1140 | N | 83.2 | Confident | 79.9 | Confident | 17 Ų | 17 | 54.1 Ų | 54.1 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.1 | -45.4 | -178.7 | -53.5 | -15.2 | 0 | 0 | 0 | 111.5 | T1077 I1078 M1081 G1138 W1143 L1144 | T1077-N1140 HydrophobicContact CG2-CB 4.13Å; T1077-N1140 WeakPolarHBondContact CG2-ND2 3.48Å; I1078-N1140 HydrophobicContact CG1-CB 4.42Å; M1081-N1140 HydrophobicContact SD-CB 4.26Å; G1138-N1140 VanDerWaalsContact C-N 3.34Å; G1138-N1140 PolarHBondContact O-N 3.42Å; N1140-W1143 PolarHBondContact O-N 3.24Å; N1140-L1144 PolarHBondContact O-N 2.94Å |
| 1141 | A | 83.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70.2 | -40.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | I1107 V1136 G1138 W1143 L1144 A1145 L1186 | I1107-A1141 HydrophobicContact CG2-CB 4.27Å; V1136-A1141 WeakPolarHBondContact O-CB 3.39Å; G1138-A1141 PolarHBondContact O-N 2.99Å; A1141-W1143 PolarHBondContact O-N 3.35Å; A1141-L1144 PolarHBondContact O-N 3.43Å; A1141-A1145 WeakPolarHBondContact O-CB 3.31Å; A1141-A1145 PolarHBondContact O-N 3.1Å; A1141-L1186 HydrophobicContact CB-CD1 4.03Å |
| 1142 | R | 83.7 | Confident | 81.1 | Confident | 158 Ų | 158 | 47.6 Ų | 47.6 | 60% | 0.596 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -62.6 | -40.1 | 172.7 | -66.5 | 179.5 | -161.8 | -168.3 | 1.8 | 112.6 | N1137 G1138 P1139 A1145 E1146 | N1137-R1142 VanDerWaalsContact O-CZ 3.27Å; N1137-R1142 PolarHBondContact O-NE 2.95Å; N1137-R1142 PolarHBondContact O-NH2 3Å; G1138-R1142 WeakPolarHBondContact O-CG 3.48Å; G1138-R1142 PolarHBondContact O-N 3.36Å; P1139-R1142 PolarHBondContact O-N 3.04Å; R1142-A1145 WeakPolarHBondContact O-CB 3.34Å; R1142-A1145 PolarHBondContact O-N 3.42Å; R1142-E1146 PolarHBondContact O-N 3.27Å |
| 1143 | W | 86.2 | Confident | 81.3 | Confident | 45 Ų | 45 | 49.8 Ų | 49.8 | 17% | 0.17 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 175.3 | 175.4 | 77.9 | 0 | 0 | 0 | 111 | I1078 M1081 K1082 V1085 P1139 N1140 A1141 A1145 E1146 Q1147 | I1078-W1143 HydrophobicContact CD1-CB 4.42Å; I1078-W1143 HydrophobicContact CG1-CB 4.48Å; I1078-W1143 HydrophobicContact CG2-CD2 3.94Å; I1078-W1143 HydrophobicContact CG2-CE3 4.38Å; I1078-W1143 HydrophobicContact CG2-CG 4.04Å; M1081-W1143 HydrophobicContact CB-CE3 4.25Å; M1081-W1143 HydrophobicContact CB-CH2 4.45Å; M1081-W1143 HydrophobicContact CB-CZ3 3.61Å; K1082-W1143 HydrophobicContact CB-CH2 4.22Å; K1082-W1143 HydrophobicContact CB-CZ2 4.29Å; K1082-W1143 HydrophobicContact CD-CZ2 4.27Å; K1082-W1143 HydrophobicContact CG-CH2 3.6Å; K1082-W1143 HydrophobicContact CG-CZ2 3.23Å; V1085-W1143 HydrophobicContact CB-CH2 4.37Å; V1085-W1143 HydrophobicContact CG2-CH2 4.11Å; V1085-W1143 HydrophobicContact CG2-CZ3 4.41Å; P1139-W1143 WeakPolarHBondContact O-CB 3.26Å; P1139-W1143 PolarHBondContact O-N 3.19Å; N1140-W1143 PolarHBondContact O-N 3.24Å; A1141-W1143 PolarHBondContact O-N 3.35Å; W1143-A1145 PolarHBondContact O-N 3Å; W1143-E1146 PolarHBondContact O-N 2.69Å; W1143-Q1147 HydrophobicContact CD2-CG 4.22Å; W1143-Q1147 HydrophobicContact CE3-CG 4.43Å; W1143-Q1147 HydrophobicContact CH2-CG 3.5Å; W1143-Q1147 VanDerWaalsContact CH2-CG 3.5Å; W1143-Q1147 HydrophobicContact CZ2-CG 3.22Å; W1143-Q1147 HydrophobicContact CZ3-CG 4.1Å; W1143-Q1147 PolarHBondContact O-N 2.81Å |
| 1144 | L | 86.7 | Confident | 80.9 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.2 | -39.7 | 176.4 | -175 | 67.4 | 0 | 0 | 0 | 112.4 | M1081 V1085 I1107 N1140 A1141 E1146 Q1147 L1148 L1175 | M1081-L1144 HydrophobicContact CE-CB 3.75Å; M1081-L1144 HydrophobicContact CE-CD1 4.17Å; M1081-L1144 HydrophobicContact CE-CD2 3.78Å; M1081-L1144 HydrophobicContact CE-CG 4.11Å; V1085-L1144 HydrophobicContact CG2-CD1 3.98Å; I1107-L1144 HydrophobicContact CD1-CD2 3.73Å; N1140-L1144 PolarHBondContact O-N 2.94Å; A1141-L1144 PolarHBondContact O-N 3.43Å; L1144-E1146 VanDerWaalsContact C-N 3.32Å; L1144-E1146 PolarHBondContact O-N 3.37Å; L1144-Q1147 PolarHBondContact O-N 3.23Å; L1144-Q1147 VanDerWaalsContact O-N 3.15Å; L1144-L1148 HydrophobicContact CD1-CD1 4.49Å; L1144-L1148 HydrophobicContact CD1-CG 4.27Å; L1144-L1148 HydrophobicContact CD2-CD1 4.19Å; L1144-L1148 HydrophobicContact CG-CD1 3.9Å; L1144-L1148 HydrophobicContact CG-CG 4.11Å; L1144-L1148 WeakPolarHBondContact O-CG 3.39Å; L1144-L1148 PolarHBondContact O-N 2.96Å; L1144-L1175 HydrophobicContact CD2-CD1 4.29Å |
| 1145 | A | 84.1 | Confident | 80.6 | Confident | 15 Ų | 15 | 52.3 Ų | 52.3 | 12% | 0.124 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55 | -46.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1141 R1142 W1143 Q1147 L1148 R1149 L1186 | A1141-A1145 WeakPolarHBondContact O-CB 3.31Å; A1141-A1145 PolarHBondContact O-N 3.1Å; R1142-A1145 WeakPolarHBondContact O-CB 3.34Å; R1142-A1145 PolarHBondContact O-N 3.42Å; W1143-A1145 PolarHBondContact O-N 3Å; A1145-Q1147 PolarHBondContact O-N 3.45Å; A1145-L1148 PolarHBondContact O-N 2.94Å; A1145-R1149 VanDerWaalsContact O-CB 3.25Å; A1145-R1149 WeakPolarHBondContact O-CB 3.44Å; A1145-R1149 PolarHBondContact O-N 3.36Å; A1145-L1186 HydrophobicContact CB-CG 4.43Å; A1145-L1186 WeakPolarHBondContact CB-O 3.44Å |
| 1146 | E | 85 | Confident | 79.9 | Confident | 104 Ų | 104 | 57.9 Ų | 57.9 | 49% | 0.486 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.8 | -33.7 | 178.7 | -163.3 | 60.5 | -155.9 | 0 | 0 | 112.1 | R1142 W1143 L1144 R1149 S1150 | R1142-E1146 PolarHBondContact O-N 3.27Å; W1143-E1146 PolarHBondContact O-N 2.69Å; L1144-E1146 VanDerWaalsContact C-N 3.32Å; L1144-E1146 PolarHBondContact O-N 3.37Å; E1146-R1149 IonicContact OE1-NH1 3.58Å; E1146-R1149 IonicContact OE2-NH1 3.15Å; E1146-S1150 WeakPolarHBondContact O-CB 3.18Å; E1146-S1150 PolarHBondContact O-N 3.02Å |
| 1147 | Q | 84.9 | Confident | 79.2 | Confident | 65 Ų | 65 | 61.5 Ų | 61.5 | 30% | 0.304 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.2 | -52.6 | 171.2 | -60.3 | -49.6 | -99.6 | 0 | 0 | 111.9 | W1143 L1144 A1145 R1149 S1150 L1151 | W1143-Q1147 HydrophobicContact CD2-CG 4.22Å; W1143-Q1147 HydrophobicContact CE3-CG 4.43Å; W1143-Q1147 HydrophobicContact CH2-CG 3.5Å; W1143-Q1147 VanDerWaalsContact CH2-CG 3.5Å; W1143-Q1147 HydrophobicContact CZ2-CG 3.22Å; W1143-Q1147 HydrophobicContact CZ3-CG 4.1Å; W1143-Q1147 PolarHBondContact O-N 2.81Å; L1144-Q1147 PolarHBondContact O-N 3.23Å; L1144-Q1147 VanDerWaalsContact O-N 3.15Å; A1145-Q1147 PolarHBondContact O-N 3.45Å; Q1147-R1149 PolarHBondContact O-N 3.49Å; Q1147-S1150 CarbonylContact O-C 3.54Å; Q1147-S1150 WeakPolarHBondContact O-CA 3.45Å; Q1147-S1150 WeakPolarHBondContact O-CB 3.23Å; Q1147-S1150 PolarHBondContact O-N 3.2Å; Q1147-L1151 WeakPolarHBondContact O-CG 3.26Å; Q1147-L1151 PolarHBondContact O-N 2.88Å |
| 1148 | L | 85.8 | Confident | 78.5 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -55.7 | -43.8 | 178.9 | -71.4 | 173.4 | 0 | 0 | 0 | 110.4 | L1144 A1145 S1150 L1151 L1152 A1168 W1171 I1172 L1175 L1186 | L1144-L1148 HydrophobicContact CD1-CD1 4.49Å; L1144-L1148 HydrophobicContact CD1-CG 4.27Å; L1144-L1148 HydrophobicContact CD2-CD1 4.19Å; L1144-L1148 HydrophobicContact CG-CD1 3.9Å; L1144-L1148 HydrophobicContact CG-CG 4.11Å; L1144-L1148 WeakPolarHBondContact O-CG 3.39Å; L1144-L1148 PolarHBondContact O-N 2.96Å; A1145-L1148 PolarHBondContact O-N 2.94Å; L1148-S1150 VanDerWaalsContact C-N 3.34Å; L1148-S1150 PolarHBondContact O-N 2.93Å; L1148-L1151 PolarHBondContact O-N 3.45Å; L1148-L1152 HydrophobicContact CB-CD1 4.18Å; L1148-L1152 VanDerWaalsContact O-CB 3.23Å; L1148-L1152 WeakPolarHBondContact O-CB 3.33Å; L1148-L1152 VanDerWaalsContact O-CD1 3.31Å; L1148-L1152 WeakPolarHBondContact O-CD1 3.15Å; L1148-L1152 WeakPolarHBondContact O-CG 3.49Å; L1148-L1152 PolarHBondContact O-N 3.23Å; L1148-A1168 HydrophobicContact CD2-CB 4.17Å; L1148-W1171 HydrophobicContact CD2-CE3 4.35Å; L1148-I1172 HydrophobicContact CD1-CG1 4.17Å; L1148-I1172 HydrophobicContact CD2-CD1 4.45Å; L1148-I1172 HydrophobicContact CD2-CG1 4.29Å; L1148-L1175 HydrophobicContact CD1-CD1 4.36Å; L1148-L1186 HydrophobicContact CD1-CD2 3.92Å |
| 1149 | R | 84.6 | Confident | 77.4 | Confident | 140 Ų | 140 | 68.6 Ų | 68.6 | 53% | 0.528 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -56.5 | -44.5 | 173.3 | -170.9 | -178.7 | -178.2 | -149.2 | 1.3 | 112.7 | A1145 E1146 Q1147 T1153 L1191 | A1145-R1149 VanDerWaalsContact O-CB 3.25Å; A1145-R1149 WeakPolarHBondContact O-CB 3.44Å; A1145-R1149 PolarHBondContact O-N 3.36Å; E1146-R1149 IonicContact OE1-NH1 3.58Å; E1146-R1149 IonicContact OE2-NH1 3.15Å; Q1147-R1149 PolarHBondContact O-N 3.49Å; R1149-T1153 WeakPolarHBondContact O-CB 2.92Å; R1149-T1153 WeakPolarHBondContact O-CG2 3.47Å; R1149-T1153 PolarHBondContact O-N 2.92Å; R1149-T1153 VanDerWaalsContact O-N 3.16Å; R1149-T1153 PolarHBondContact O-OG1 3.1Å; R1149-L1191 HydrophobicContact CG-CD1 4.49Å |
| 1150 | S | 83.5 | Confident | 76.6 | Confident | 75 Ų | 75 | 71.3 Ų | 71.3 | 52% | 0.524 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.8 | -27.6 | 177.2 | -172.8 | 0 | 0 | 0 | 0 | 114.3 | E1146 Q1147 L1148 | E1146-S1150 WeakPolarHBondContact O-CB 3.18Å; E1146-S1150 PolarHBondContact O-N 3.02Å; Q1147-S1150 CarbonylContact O-C 3.54Å; Q1147-S1150 WeakPolarHBondContact O-CA 3.45Å; Q1147-S1150 WeakPolarHBondContact O-CB 3.23Å; Q1147-S1150 PolarHBondContact O-N 3.2Å; L1148-S1150 VanDerWaalsContact C-N 3.34Å; L1148-S1150 PolarHBondContact O-N 2.93Å |
| 1151 | L | 84 | Confident | 76 | Confident | 38 Ų | 38 | 71.5 Ų | 71.5 | 20% | 0.199 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -88.1 | -18.7 | -179.8 | -60.8 | -168 | 0 | 0 | 0 | 113.6 | V1085 A1088 Q1147 L1148 V1164 T1165 A1168 W1171 | V1085-L1151 HydrophobicContact CG1-CD1 4.11Å; A1088-L1151 HydrophobicContact CB-CD1 4.47Å; Q1147-L1151 WeakPolarHBondContact O-CG 3.26Å; Q1147-L1151 PolarHBondContact O-N 2.88Å; L1148-L1151 PolarHBondContact O-N 3.45Å; L1151-V1164 HydrophobicContact CB-CG1 4.18Å; L1151-V1164 HydrophobicContact CD1-CG1 3.89Å; L1151-V1164 HydrophobicContact CD2-CG1 3.65Å; L1151-V1164 HydrophobicContact CG-CG1 4.09Å; L1151-T1165 PolarHBondContact O-OG1 3.21Å; L1151-A1168 HydrophobicContact CB-CB 4.2Å; L1151-A1168 HydrophobicContact CD1-CB 4.49Å; L1151-W1171 HydrophobicContact CD1-CZ3 4.29Å |
| 1152 | L | 81.4 | Confident | 75.7 | Confident | 3 Ų | 3 | 76.1 Ų | 76.1 | 2% | 0.016 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -108.6 | -9.5 | -174.8 | -63.4 | 168.1 | 0 | 0 | 0 | 113.5 | L1148 P1154 T1165 A1168 T1169 I1172 L1191 L1195 | L1148-L1152 HydrophobicContact CB-CD1 4.18Å; L1148-L1152 VanDerWaalsContact O-CB 3.23Å; L1148-L1152 WeakPolarHBondContact O-CB 3.33Å; L1148-L1152 VanDerWaalsContact O-CD1 3.31Å; L1148-L1152 WeakPolarHBondContact O-CD1 3.15Å; L1148-L1152 WeakPolarHBondContact O-CG 3.49Å; L1148-L1152 PolarHBondContact O-N 3.23Å; L1152-P1154 WeakPolarHBondContact O-CD 3.44Å; L1152-T1165 HydrophobicContact CD2-CG2 4.14Å; L1152-A1168 HydrophobicContact CD2-CB 3.66Å; L1152-A1168 HydrophobicContact CG-CB 4.07Å; L1152-T1169 HydrophobicContact CD2-CG2 3.82Å; L1152-I1172 HydrophobicContact CD1-CD1 3.35Å; L1152-L1191 HydrophobicContact CB-CD2 3.94Å; L1152-L1191 HydrophobicContact CB-CG 4.46Å; L1152-L1191 HydrophobicContact CD1-CD2 4.07Å; L1152-L1195 HydrophobicContact CB-CD1 4.2Å; L1152-L1195 HydrophobicContact CD2-CD1 3.89Å; L1152-L1195 HydrophobicContact CG-CD1 4.49Å |
| 1153 | T | 78.5 | Confident | 75.1 | Confident | 62 Ų | 62 | 71.1 Ų | 71.1 | 38% | 0.38 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -78.3 | 120.7 | 172.7 | 33.2 | 0 | 0 | 0 | 0 | 110.3 | R1149 L1191 | R1149-T1153 WeakPolarHBondContact O-CB 2.92Å; R1149-T1153 WeakPolarHBondContact O-CG2 3.47Å; R1149-T1153 PolarHBondContact O-N 2.92Å; R1149-T1153 VanDerWaalsContact O-N 3.16Å; R1149-T1153 PolarHBondContact O-OG1 3.1Å; T1153-L1191 HydrophobicContact CG2-CD1 4.05Å |
| 1154 | P | 66.4 | Low | 75 | Confident | 91 Ų | 91 | 70 Ų | 70 | 59% | 0.591 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 135 | -179.2 | 28 | -34.1 | 0 | 0 | 0 | 111.1 | L1152 | L1152-P1154 WeakPolarHBondContact O-CD 3.44Š|
| 1155 | L | 66.8 | Low | 74.9 | Confident | 93 Ų | 93 | 70.6 Ų | 70.6 | 49% | 0.487 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -85.7 | 133.9 | 172.1 | -92.8 | 77.4 | 0 | 0 | 0 | 110.9 | G1157 Q1158 | L1155-G1157 PolarHBondContact O-N 2.96Å; L1155-Q1158 PolarHBondContact O-N 3.35Å |
| 1156 | P | 59.6 | Low | 74.7 | Confident | 133 Ų | 133 | 70.8 Ų | 70.8 | 86% | 0.864 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | 131.8 | 178.7 | 26.3 | -34.1 | 0 | 0 | 0 | 111.1 | ||
| 1157 | G | 62.3 | Low | 74.7 | Confident | 78 Ų | 78 | 65.8 Ų | 65.8 | 80% | 0.804 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.1 | -6.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116 | L1155 | L1155-G1157 PolarHBondContact O-N 2.96Š|
| 1158 | Q | 58.5 | Low | 74.8 | Confident | 98 Ų | 98 | 62.7 Ų | 62.7 | 46% | 0.458 | 36% | 0.357 | S | S | . | . | trans | -76.5 | 136.3 | 170.6 | -75 | -167.7 | -105.8 | 0 | 0 | 112.2 | L1155 | L1155-Q1158 PolarHBondContact O-N 3.35Š| ||
| 1159 | V | 57.9 | Low | 74.8 | Confident | 135 Ų | 135 | 62.7 Ų | 62.7 | 82% | 0.818 | 36% | 0.357 | S | S | * | . | trans | -99.4 | -20.6 | -178.2 | -176.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1160 | Q | 62.7 | Low | 74.8 | Confident | 146 Ų | 146 | 56 Ų | 56 | 68% | 0.682 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -127.1 | 138.4 | -176.7 | -173.6 | 93.2 | 57.8 | 0 | 0 | 109.2 | ||
| 1161 | T | 70 | Confident | 75.1 | Confident | 21 Ų | 21 | 52.4 Ų | 52.4 | 13% | 0.129 | 31% | 0.307 | C | S | . | . | trans | -54 | 142.4 | 168.4 | 31.5 | 0 | 0 | 0 | 0 | 112 | E1198 D1200 V1203 | T1161-E1198 HydrophobicContact CG2-CG 3.61Å; T1161-E1198 WeakPolarHBondContact CG2-OE1 3.44Å; T1161-D1200 HydrophobicContact CG2-CB 3.5Å; T1161-D1200 PolarHBondContact OG1-OD2 3.17Å; T1161-V1203 HydrophobicContact CG2-CG2 4.16Å | ||
| 1162 | R | 77 | Confident | 75.1 | Confident | 97 Ų | 97 | 50.7 Ų | 50.7 | 37% | 0.366 | 30% | 0.298 | S | S | . | . | trans | -81 | 137 | 171.7 | -57.1 | 177.5 | -179.2 | -158 | -2.5 | 109 | V1164 T1165 I1166 | R1162-V1164 HydrophobicContact CB-CB 4.19Å; R1162-V1164 PolarHBondContact O-N 3.46Å; R1162-V1164 VanDerWaalsContact O-N 3.13Å; R1162-T1165 WeakPolarHBondContact O-CB 3.49Å; R1162-T1165 PolarHBondContact O-N 3.35Å; R1162-I1166 PolarHBondContact O-N 2.96Å | ||
| 1163 | P | 72 | Confident | 75.3 | Confident | 52 Ų | 52 | 50.6 Ų | 50.6 | 34% | 0.338 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -50.9 | -38.5 | 171 | -27.2 | 35.1 | 0 | 0 | 0 | 112.3 | N1091 T1165 I1166 A1167 | N1091-P1163 HydrophobicContact CB-CB 4.47Å; P1163-T1165 VanDerWaalsContact C-N 3.3Å; P1163-T1165 PolarHBondContact O-N 3.46Å; P1163-I1166 CarbonylContact O-C 3.56Å; P1163-I1166 WeakPolarHBondContact O-CA 3.26Å; P1163-I1166 WeakPolarHBondContact O-CB 3.3Å; P1163-I1166 PolarHBondContact O-N 3.39Å; P1163-A1167 PolarHBondContact O-N 3.11Å |
| 1164 | V | 82.9 | Confident | 75.6 | Confident | 22 Ų | 22 | 48.1 Ų | 48.1 | 13% | 0.133 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -50.7 | -40.9 | 172.9 | 174.8 | 0 | 0 | 0 | 0 | 114 | A1088 E1089 L1151 R1162 A1168 | A1088-V1164 HydrophobicContact CB-CB 4.11Å; A1088-V1164 HydrophobicContact CB-CG1 3.81Å; A1088-V1164 HydrophobicContact CB-CG2 4Å; A1088-V1164 WeakPolarHBondContact O-CA 3.44Å; A1088-V1164 PolarHBondContact O-N 3.27Å; E1089-V1164 HydrophobicContact CG-CG2 3.8Å; L1151-V1164 HydrophobicContact CB-CG1 4.18Å; L1151-V1164 HydrophobicContact CD1-CG1 3.89Å; L1151-V1164 HydrophobicContact CD2-CG1 3.65Å; L1151-V1164 HydrophobicContact CG-CG1 4.09Å; R1162-V1164 HydrophobicContact CB-CB 4.19Å; R1162-V1164 PolarHBondContact O-N 3.46Å; R1162-V1164 VanDerWaalsContact O-N 3.13Å; V1164-A1168 WeakPolarHBondContact O-CB 3.41Å; V1164-A1168 PolarHBondContact O-N 3.08Å; V1164-A1168 VanDerWaalsContact O-N 3.07Å |
| 1165 | T | 84.4 | Confident | 76.5 | Confident | 13 Ų | 13 | 43.8 Ų | 43.8 | 8% | 0.08 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.3 | -39.6 | 178.2 | -55.3 | 0 | 0 | 0 | 0 | 110.2 | L1151 L1152 R1162 P1163 A1168 T1169 L1195 | L1151-T1165 PolarHBondContact O-OG1 3.21Å; L1152-T1165 HydrophobicContact CD2-CG2 4.14Å; R1162-T1165 WeakPolarHBondContact O-CB 3.49Å; R1162-T1165 PolarHBondContact O-N 3.35Å; P1163-T1165 VanDerWaalsContact C-N 3.3Å; P1163-T1165 PolarHBondContact O-N 3.46Å; T1165-A1168 PolarHBondContact O-N 3.1Å; T1165-T1169 WeakPolarHBondContact O-CG2 3.18Å; T1165-T1169 PolarHBondContact O-N 3.09Å; T1165-T1169 VanDerWaalsContact O-N 3.09Å; T1165-L1195 HydrophobicContact CG2-CD2 4.29Å |
| 1166 | I | 80 | Confident | 77.1 | Confident | 18 Ų | 18 | 39.4 Ų | 39.4 | 9% | 0.092 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.9 | -42.8 | 176 | -38.7 | -176.8 | 0 | 0 | 0 | 110.6 | R1162 P1163 A1168 T1169 L1170 V1203 F1295 | R1162-I1166 PolarHBondContact O-N 2.96Å; P1163-I1166 CarbonylContact O-C 3.56Å; P1163-I1166 WeakPolarHBondContact O-CA 3.26Å; P1163-I1166 WeakPolarHBondContact O-CB 3.3Å; P1163-I1166 PolarHBondContact O-N 3.39Å; I1166-A1168 PolarHBondContact O-N 2.98Å; I1166-T1169 PolarHBondContact O-N 2.96Å; I1166-T1169 PolarHBondContact O-OG1 3.03Å; I1166-L1170 PolarHBondContact O-N 3.19Å; I1166-V1203 HydrophobicContact CB-CG2 4.37Å; I1166-V1203 HydrophobicContact CD1-CG2 4.48Å; I1166-V1203 HydrophobicContact CG1-CG2 3.82Å; I1166-V1203 HydrophobicContact CG2-CG2 4.23Å; I1166-F1295 HydrophobicContact CB-CZ 4.43Å; I1166-F1295 HydrophobicContact CG2-CD1 4.46Å; I1166-F1295 HydrophobicContact CG2-CE1 3.42Å; I1166-F1295 VanDerWaalsContact CG2-CE1 3.42Å; I1166-F1295 HydrophobicContact CG2-CE2 4.21Å; I1166-F1295 HydrophobicContact CG2-CZ 3.3Å |
| 1167 | A | 85 | Confident | 78.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.1 | -51.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A1088 H1096 P1163 T1169 L1170 W1171 | A1088-A1167 HydrophobicContact CB-CB 4.27Å; H1096-A1167 VanDerWaalsContact CE1-CB 3.44Å; H1096-A1167 WeakPolarHBondContact CE1-CB 3.44Å; H1096-A1167 VanDerWaalsContact NE2-CB 3.33Å; H1096-A1167 WeakPolarHBondContact NE2-CB 3.47Å; P1163-A1167 PolarHBondContact O-N 3.11Å; A1167-T1169 VanDerWaalsContact C-N 3.32Å; A1167-T1169 PolarHBondContact O-N 3.36Å; A1167-L1170 PolarHBondContact O-N 3.26Å; A1167-W1171 HydrophobicContact CB-CZ2 4.06Å; A1167-W1171 VanDerWaalsContact O-CG 3.23Å; A1167-W1171 PolarHBondContact O-N 3.08Å; A1167-W1171 PolarHBondContact O-NE1 2.9Å |
| 1168 | A | 87.9 | Confident | 78.7 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.6 | -36.6 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1148 L1151 L1152 V1164 T1165 I1166 W1171 I1172 | L1148-A1168 HydrophobicContact CD2-CB 4.17Å; L1151-A1168 HydrophobicContact CB-CB 4.2Å; L1151-A1168 HydrophobicContact CD1-CB 4.49Å; L1152-A1168 HydrophobicContact CD2-CB 3.66Å; L1152-A1168 HydrophobicContact CG-CB 4.07Å; V1164-A1168 WeakPolarHBondContact O-CB 3.41Å; V1164-A1168 PolarHBondContact O-N 3.08Å; V1164-A1168 VanDerWaalsContact O-N 3.07Å; T1165-A1168 PolarHBondContact O-N 3.1Å; I1166-A1168 PolarHBondContact O-N 2.98Å; A1168-W1171 HydrophobicContact CB-CE3 4.48Å; A1168-W1171 PolarHBondContact O-N 3.43Å; A1168-I1172 WeakPolarHBondContact O-CG1 3.33Å; A1168-I1172 PolarHBondContact O-N 3.32Å |
| 1169 | T | 85.3 | Confident | 79.4 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.2 | -38.2 | 175.6 | 63.4 | 0 | 0 | 0 | 0 | 113.1 | L1152 T1165 I1166 A1167 W1171 I1172 L1173 L1195 V1203 V1206 V1207 | L1152-T1169 HydrophobicContact CD2-CG2 3.82Å; T1165-T1169 WeakPolarHBondContact O-CG2 3.18Å; T1165-T1169 PolarHBondContact O-N 3.09Å; T1165-T1169 VanDerWaalsContact O-N 3.09Å; I1166-T1169 PolarHBondContact O-N 2.96Å; I1166-T1169 PolarHBondContact O-OG1 3.03Å; A1167-T1169 VanDerWaalsContact C-N 3.32Å; A1167-T1169 PolarHBondContact O-N 3.36Å; T1169-W1171 VanDerWaalsContact C-N 3.29Å; T1169-W1171 PolarHBondContact O-N 3.02Å; T1169-I1172 PolarHBondContact O-N 3.18Å; T1169-L1173 PolarHBondContact O-N 3.31Å; T1169-L1195 HydrophobicContact CG2-CD1 4.32Å; T1169-V1203 HydrophobicContact CG2-CG1 4.19Å; T1169-V1206 VanDerWaalsContact C-CG1 3.46Å; T1169-V1206 WeakPolarHBondContact O-CG1 3.2Å; T1169-V1206 WeakPolarHBondContact OG1-CG1 3.5Å; T1169-V1207 HydrophobicContact CG2-CG2 3.71Å |
| 1170 | L | 84.7 | Confident | 80.1 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64 | -35.1 | 172.4 | -77.3 | -179.6 | 0 | 0 | 0 | 112.3 | P1093 H1096 L1097 I1166 A1167 L1173 N1174 V1206 F1295 A1298 | P1093-L1170 HydrophobicContact CB-CD1 3.56Å; H1096-L1170 HydrophobicContact CB-CB 4.13Å; H1096-L1170 HydrophobicContact CB-CD1 3.8Å; L1097-L1170 HydrophobicContact CD2-CD2 4.16Å; I1166-L1170 PolarHBondContact O-N 3.19Å; A1167-L1170 PolarHBondContact O-N 3.26Å; L1170-L1173 PolarHBondContact O-N 2.7Å; L1170-N1174 PolarHBondContact O-N 3.49Å; L1170-N1174 VanDerWaalsContact O-N 3.13Å; L1170-V1206 HydrophobicContact CD2-CG1 3.99Å; L1170-V1206 HydrophobicContact CD2-CG2 3.87Å; L1170-V1206 HydrophobicContact CG-CG1 4.42Å; L1170-F1295 HydrophobicContact CD1-CD1 4.14Å; L1170-F1295 HydrophobicContact CD1-CE1 3.46Å; L1170-F1295 VanDerWaalsContact CD1-CE1 3.46Å; L1170-F1295 HydrophobicContact CD1-CZ 4.19Å; L1170-F1295 HydrophobicContact CD2-CD1 4.14Å; L1170-F1295 HydrophobicContact CD2-CE1 4.13Å; L1170-F1295 HydrophobicContact CG-CD1 4.3Å; L1170-F1295 HydrophobicContact CG-CE1 3.79Å; L1170-A1298 HydrophobicContact CD2-CB 4.38Å |
| 1171 | W | 89.6 | Confident | 80.4 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.1 | -43.9 | 175.8 | -58.1 | -12.4 | 0 | 0 | 0 | 111.1 | V1085 A1088 H1096 V1099 L1103 L1148 L1151 A1167 A1168 T1169 N1174 L1175 | V1085-W1171 HydrophobicContact CB-CH2 4.43Å; V1085-W1171 HydrophobicContact CB-CZ3 4.26Å; V1085-W1171 HydrophobicContact CG1-CZ3 4.28Å; V1085-W1171 HydrophobicContact CG2-CH2 4.47Å; V1085-W1171 HydrophobicContact CG2-CZ3 3.92Å; A1088-W1171 HydrophobicContact CB-CH2 3.66Å; A1088-W1171 HydrophobicContact CB-CZ2 4.23Å; A1088-W1171 HydrophobicContact CB-CZ3 4.46Å; H1096-W1171 AromaticContact CG-NE1 3.86Å; H1096-W1171 AromaticContact ND1-NE1 3.77Å; H1096-W1171 PolarHBondContact O-NE1 3.42Å; V1099-W1171 HydrophobicContact CG1-CD2 4.18Å; V1099-W1171 HydrophobicContact CG1-CG 4.42Å; V1099-W1171 HydrophobicContact CG1-CZ2 3.92Å; L1103-W1171 HydrophobicContact CD1-CB 4.24Å; L1103-W1171 HydrophobicContact CD1-CD2 4.04Å; L1103-W1171 HydrophobicContact CD1-CE3 4.06Å; L1103-W1171 HydrophobicContact CD1-CG 4.14Å; L1148-W1171 HydrophobicContact CD2-CE3 4.35Å; L1151-W1171 HydrophobicContact CD1-CZ3 4.29Å; A1167-W1171 HydrophobicContact CB-CZ2 4.06Å; A1167-W1171 VanDerWaalsContact O-CG 3.23Å; A1167-W1171 PolarHBondContact O-N 3.08Å; A1167-W1171 PolarHBondContact O-NE1 2.9Å; A1168-W1171 HydrophobicContact CB-CE3 4.48Å; A1168-W1171 PolarHBondContact O-N 3.43Å; T1169-W1171 VanDerWaalsContact C-N 3.29Å; T1169-W1171 PolarHBondContact O-N 3.02Å; W1171-N1174 PolarHBondContact O-N 3.45Å; W1171-L1175 WeakPolarHBondContact O-CB 3.44Å; W1171-L1175 WeakPolarHBondContact O-CD1 3.37Å; W1171-L1175 VanDerWaalsContact O-CG 3.3Å; W1171-L1175 WeakPolarHBondContact O-CG 3.35Å; W1171-L1175 PolarHBondContact O-N 3.1Å |
| 1172 | I | 85.2 | Confident | 80.4 | Confident | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.7 | -43.9 | 175.5 | -63 | 169 | 0 | 0 | 0 | 111 | L1148 L1152 A1168 T1169 N1174 L1175 V1176 L1187 L1192 T1210 | L1148-I1172 HydrophobicContact CD1-CG1 4.17Å; L1148-I1172 HydrophobicContact CD2-CD1 4.45Å; L1148-I1172 HydrophobicContact CD2-CG1 4.29Å; L1152-I1172 HydrophobicContact CD1-CD1 3.35Å; A1168-I1172 WeakPolarHBondContact O-CG1 3.33Å; A1168-I1172 PolarHBondContact O-N 3.32Å; T1169-I1172 PolarHBondContact O-N 3.18Å; I1172-N1174 VanDerWaalsContact C-N 3.26Å; I1172-N1174 PolarHBondContact O-N 2.93Å; I1172-L1175 WeakPolarHBondContact O-CB 3.47Å; I1172-L1175 PolarHBondContact O-N 2.98Å; I1172-L1175 VanDerWaalsContact O-N 3.09Å; I1172-V1176 HydrophobicContact CG2-CG2 4.32Å; I1172-V1176 WeakPolarHBondContact O-CG2 3.46Å; I1172-V1176 PolarHBondContact O-N 3.05Å; I1172-L1187 HydrophobicContact CD1-CD1 4.15Å; I1172-L1187 HydrophobicContact CD1-CD2 3.78Å; I1172-L1187 HydrophobicContact CG1-CD2 4.23Å; I1172-L1187 HydrophobicContact CG2-CD2 3.48Å; I1172-L1187 VanDerWaalsContact CG2-CD2 3.48Å; I1172-L1192 HydrophobicContact CD1-CD2 4.3Å; I1172-T1210 HydrophobicContact CB-CG2 4.44Å; I1172-T1210 HydrophobicContact CG2-CG2 3.55Å |
| 1173 | L | 85 | Confident | 80.1 | Confident | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -54.5 | -43.3 | 176.8 | 179.5 | 55.9 | 0 | 0 | 0 | 111.8 | T1169 L1170 R1177 V1206 A1209 T1210 T1302 | T1169-L1173 PolarHBondContact O-N 3.31Å; L1170-L1173 PolarHBondContact O-N 2.7Å; L1173-R1177 WeakPolarHBondContact O-CD 3.41Å; L1173-R1177 VanDerWaalsContact O-CG 3.24Å; L1173-R1177 WeakPolarHBondContact O-CG 3.24Å; L1173-R1177 PolarHBondContact O-N 3.25Å; L1173-R1177 VanDerWaalsContact O-N 3.14Å; L1173-V1206 HydrophobicContact CB-CG1 4.13Å; L1173-V1206 HydrophobicContact CD2-CG1 4.05Å; L1173-A1209 HydrophobicContact CD1-CB 4.2Å; L1173-T1210 WeakPolarHBondContact CA-OG1 3.33Å; L1173-T1210 WeakPolarHBondContact CB-OG1 3.49Å; L1173-T1302 HydrophobicContact CD1-CG2 4.48Å |
| 1174 | N | 83.9 | Confident | 79.9 | Confident | 10 Ų | 10 | 18.3 Ų | 18.3 | 5% | 0.053 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -78 | -27.9 | 176.9 | -81.4 | 2.6 | 0 | 0 | 0 | 114.1 | L1097 T1101 L1170 W1171 I1172 R1177 R1178 | L1097-N1174 VanDerWaalsContact CA-ND2 3.32Å; L1097-N1174 WeakPolarHBondContact CA-ND2 3.42Å; L1097-N1174 VanDerWaalsContact CD2-ND2 3.32Å; L1097-N1174 WeakPolarHBondContact CD2-ND2 3.39Å; L1097-N1174 PolarHBondContact O-ND2 3.47Å; T1101-N1174 HydrophobicContact CG2-CB 4.2Å; L1170-N1174 PolarHBondContact O-N 3.49Å; L1170-N1174 VanDerWaalsContact O-N 3.13Å; W1171-N1174 PolarHBondContact O-N 3.45Å; I1172-N1174 VanDerWaalsContact C-N 3.26Å; I1172-N1174 PolarHBondContact O-N 2.93Å; N1174-R1177 PolarHBondContact O-N 2.96Å; N1174-R1177 WeakPolarHBondContact OD1-CD 3.37Å; N1174-R1177 PolarHBondContact OD1-NH1 2.97Å; N1174-R1178 WeakPolarHBondContact O-CB 2.95Å; N1174-R1178 PolarHBondContact O-N 3.18Å; N1174-R1178 VanDerWaalsContact O-N 3.1Å |
| 1175 | L | 84.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.1 | -47.5 | 168 | -77.5 | 158.4 | 0 | 0 | 0 | 110.9 | A1104 I1107 L1144 L1148 W1171 I1172 R1177 R1178 L1179 L1182 | A1104-L1175 HydrophobicContact CB-CD2 3.69Å; A1104-L1175 HydrophobicContact CB-CG 4.43Å; I1107-L1175 HydrophobicContact CD1-CD2 3.56Å; L1144-L1175 HydrophobicContact CD2-CD1 4.29Å; L1148-L1175 HydrophobicContact CD1-CD1 4.36Å; W1171-L1175 WeakPolarHBondContact O-CB 3.44Å; W1171-L1175 WeakPolarHBondContact O-CD1 3.37Å; W1171-L1175 VanDerWaalsContact O-CG 3.3Å; W1171-L1175 WeakPolarHBondContact O-CG 3.35Å; W1171-L1175 PolarHBondContact O-N 3.1Å; I1172-L1175 WeakPolarHBondContact O-CB 3.47Å; I1172-L1175 PolarHBondContact O-N 2.98Å; I1172-L1175 VanDerWaalsContact O-N 3.09Å; L1175-R1177 PolarHBondContact O-N 2.88Å; L1175-R1178 PolarHBondContact O-N 3.19Å; L1175-R1178 VanDerWaalsContact O-N 3.15Å; L1175-L1179 HydrophobicContact CB-CD1 4.31Å; L1175-L1179 HydrophobicContact CD2-CD1 3.81Å; L1175-L1179 VanDerWaalsContact O-CB 3.3Å; L1175-L1179 WeakPolarHBondContact O-CB 3.43Å; L1175-L1179 VanDerWaalsContact O-CG 3.28Å; L1175-L1179 WeakPolarHBondContact O-CG 3.43Å; L1175-L1179 PolarHBondContact O-N 3.32Å; L1175-L1182 HydrophobicContact CB-CD1 4.31Å; L1175-L1182 HydrophobicContact CB-CD2 4.35Å |
| 1176 | V | 81 | Confident | 78.6 | Confident | 2 Ų | 2 | 19.6 Ų | 19.6 | 1% | 0.012 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.9 | -45.1 | 176.5 | -177.1 | 0 | 0 | 0 | 0 | 111 | I1172 R1178 G1180 L1182 T1210 L1213 I1214 | I1172-V1176 HydrophobicContact CG2-CG2 4.32Å; I1172-V1176 WeakPolarHBondContact O-CG2 3.46Å; I1172-V1176 PolarHBondContact O-N 3.05Å; V1176-R1178 PolarHBondContact O-N 2.88Å; V1176-R1178 VanDerWaalsContact O-N 3.15Å; V1176-G1180 PolarHBondContact O-N 3.09Å; V1176-L1182 HydrophobicContact CB-CD1 4.11Å; V1176-L1182 HydrophobicContact CG2-CD1 3.56Å; V1176-T1210 HydrophobicContact CG2-CG2 3.79Å; V1176-L1213 HydrophobicContact CB-CD2 4.16Å; V1176-L1213 HydrophobicContact CG1-CB 3.96Å; V1176-L1213 HydrophobicContact CG1-CD2 3.77Å; V1176-L1213 HydrophobicContact CG1-CG 3.67Å; V1176-I1214 HydrophobicContact CB-CG1 4.41Å; V1176-I1214 HydrophobicContact CG1-CG1 3.79Å; V1176-I1214 HydrophobicContact CG2-CD1 3.98Å; V1176-I1214 HydrophobicContact CG2-CG1 3.59Å |
| 1177 | R | 79.2 | Confident | 78.6 | Confident | 82 Ų | 82 | 19.1 Ų | 19.1 | 31% | 0.309 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -57.9 | -27.3 | 176.1 | -72.8 | 163.9 | 174.9 | 176 | -5.9 | 113.7 | L1173 N1174 L1175 L1213 A1298 T1302 | L1173-R1177 WeakPolarHBondContact O-CD 3.41Å; L1173-R1177 VanDerWaalsContact O-CG 3.24Å; L1173-R1177 WeakPolarHBondContact O-CG 3.24Å; L1173-R1177 PolarHBondContact O-N 3.25Å; L1173-R1177 VanDerWaalsContact O-N 3.14Å; N1174-R1177 PolarHBondContact O-N 2.96Å; N1174-R1177 WeakPolarHBondContact OD1-CD 3.37Å; N1174-R1177 PolarHBondContact OD1-NH1 2.97Å; L1175-R1177 PolarHBondContact O-N 2.88Å; R1177-L1213 HydrophobicContact CB-CD2 4.22Å; R1177-L1213 HydrophobicContact CG-CD2 3.36Å; R1177-A1298 PolarHBondContact NH2-O 2.9Å; R1177-T1302 HydrophobicContact CG-CG2 4.47Å; R1177-T1302 VanDerWaalsContact NE-CG2 3.35Å; R1177-T1302 VanDerWaalsContact NH2-CG2 3.35Å; R1177-T1302 PolarHBondContact NH2-OG1 3.01Å |
| 1178 | R | 75.9 | Confident | 78.4 | Confident | 48 Ų | 48 | 22.3 Ų | 22.3 | 18% | 0.181 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -95 | -45 | -177 | -156.3 | 79.3 | 168.8 | 159.3 | -7 | 113.6 | A1104 D1105 Y1114 I1127 N1174 L1175 V1176 | A1104-R1178 HydrophobicContact CB-CB 3.49Å; A1104-R1178 VanDerWaalsContact CB-CB 3.49Å; A1104-R1178 HydrophobicContact CB-CG 3.55Å; D1105-R1178 VanDerWaalsContact CG-NH2 3.33Å; D1105-R1178 IonicContact OD1-CZ 2.7Å; D1105-R1178 IonicContact OD1-NE 2.67Å; D1105-R1178 PolarHBondContact OD1-NE 3.19Å; D1105-R1178 IonicContact OD1-NH2 3.9Å; D1105-R1178 PolarHBondContact OD1-NH2 3.31Å; D1105-R1178 VanDerWaalsContact OD1-NH2 3.15Å; D1105-R1178 IonicContact OD2-CZ 3.2Å; D1105-R1178 IonicContact OD2-NE 3.73Å; D1105-R1178 PolarHBondContact OD2-NE 3.28Å; D1105-R1178 IonicContact OD2-NH2 3.78Å; D1105-R1178 PolarHBondContact OD2-NH2 3.28Å; Y1114-R1178 VanDerWaalsContact CD2-CZ 3.47Å; I1127-R1178 WeakPolarHBondContact CD1-O 3.33Å; N1174-R1178 WeakPolarHBondContact O-CB 2.95Å; N1174-R1178 PolarHBondContact O-N 3.18Å; N1174-R1178 VanDerWaalsContact O-N 3.1Å; L1175-R1178 PolarHBondContact O-N 3.19Å; L1175-R1178 VanDerWaalsContact O-N 3.15Å; V1176-R1178 PolarHBondContact O-N 2.88Å; V1176-R1178 VanDerWaalsContact O-N 3.15Å |
| 1179 | L | 73.7 | Confident | 77.9 | Confident | 7 Ų | 7 | 22.7 Ų | 22.7 | 4% | 0.037 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -89.9 | -22 | -169.8 | -59.5 | 176.9 | 0 | 0 | 0 | 112.6 | L1108 L1132 L1175 L1182 | L1108-L1179 HydrophobicContact CD1-CD2 3.89Å; L1108-L1179 HydrophobicContact CD2-CD2 3.59Å; L1108-L1179 HydrophobicContact CG-CD2 3.58Å; L1132-L1179 HydrophobicContact CD1-CB 4.3Å; L1132-L1179 HydrophobicContact CD1-CD2 4.09Å; L1132-L1179 WeakPolarHBondContact CD2-O 3.23Å; L1175-L1179 HydrophobicContact CB-CD1 4.31Å; L1175-L1179 HydrophobicContact CD2-CD1 3.81Å; L1175-L1179 VanDerWaalsContact O-CB 3.3Å; L1175-L1179 WeakPolarHBondContact O-CB 3.43Å; L1175-L1179 VanDerWaalsContact O-CG 3.28Å; L1175-L1179 WeakPolarHBondContact O-CG 3.43Å; L1175-L1179 PolarHBondContact O-N 3.32Å; L1179-L1182 HydrophobicContact CB-CD1 4.44Å; L1179-L1182 HydrophobicContact CD1-CD1 4.25Å; L1179-L1182 HydrophobicContact CD1-CD2 4.28Å; L1179-L1182 HydrophobicContact CD1-CG 4.05Å |
| 1180 | G | 71 | Confident | 77.7 | Confident | 17 Ų | 17 | 25.7 Ų | 25.7 | 18% | 0.175 | 14% | 0.137 | C | C | . | . | S | Bend | trans | 86.4 | -146.9 | -163.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V1176 L1182 | V1176-G1180 PolarHBondContact O-N 3.09Å; G1180-L1182 PolarHBondContact O-N 3Å |
| 1181 | P | 69.1 | Low | 77.5 | Confident | 34 Ų | 34 | 27.1 Ų | 27.1 | 22% | 0.221 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -67.3 | 131 | 175.4 | 32 | -32.6 | 0 | 0 | 0 | 109.2 | P1183 S1218 | P1181-P1183 WeakPolarHBondContact O-CD 3.47Å; P1181-S1218 VanDerWaalsContact CB-OG 3.32Å; P1181-S1218 WeakPolarHBondContact CB-OG 3.36Å |
| 1182 | L | 70.3 | Confident | 77.2 | Confident | 7 Ų | 7 | 27.2 Ų | 27.2 | 4% | 0.037 | 15% | 0.145 | C | C | . | . | P | Polyproline II helix | trans | -80.3 | 129 | 177.7 | -88.4 | 85.1 | 0 | 0 | 0 | 110.4 | L1175 V1176 L1179 G1180 L1186 | L1175-L1182 HydrophobicContact CB-CD1 4.31Å; L1175-L1182 HydrophobicContact CB-CD2 4.35Å; V1176-L1182 HydrophobicContact CB-CD1 4.11Å; V1176-L1182 HydrophobicContact CG2-CD1 3.56Å; L1179-L1182 HydrophobicContact CB-CD1 4.44Å; L1179-L1182 HydrophobicContact CD1-CD1 4.25Å; L1179-L1182 HydrophobicContact CD1-CD2 4.28Å; L1179-L1182 HydrophobicContact CD1-CG 4.05Å; G1180-L1182 PolarHBondContact O-N 3Å; L1182-L1186 HydrophobicContact CD2-CB 4.35Å; L1182-L1186 HydrophobicContact CD2-CD1 4.09Å; L1182-L1186 HydrophobicContact CD2-CD2 3.94Å; L1182-L1186 HydrophobicContact CD2-CG 4.35Å |
| 1183 | P | 70.7 | Confident | 77.1 | Confident | 23 Ų | 23 | 27.4 Ų | 27.4 | 15% | 0.149 | 15% | 0.146 | C | C | . | . | P | Polyproline II helix | trans | -56.5 | 140.5 | 167.9 | -25.7 | 33.9 | 0 | 0 | 0 | 112.3 | V1136 P1181 S1185 L1186 | V1136-P1183 HydrophobicContact CB-CG 4.06Å; V1136-P1183 HydrophobicContact CG1-CB 3.83Å; V1136-P1183 HydrophobicContact CG1-CG 3.78Å; V1136-P1183 HydrophobicContact CG2-CG 4.22Å; P1181-P1183 WeakPolarHBondContact O-CD 3.47Å; P1183-S1185 PolarHBondContact O-N 2.92Å; P1183-L1186 PolarHBondContact O-N 3Å |
| 1184 | K | 69.2 | Low | 76.8 | Confident | 98 Ų | 98 | 30.1 Ų | 30.1 | 43% | 0.426 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -18.3 | -178.4 | -54.7 | 173.9 | -167.4 | 172.5 | 0 | 114.4 | L1186 Y1189 E1225 | K1184-L1186 VanDerWaalsContact C-N 3.29Å; K1184-L1186 PolarHBondContact O-N 3.05Å; K1184-Y1189 HydrophobicContact CG-CE2 4.41Å; K1184-E1225 WeakPolarHBondContact CE-OE1 3.02Å; K1184-E1225 IonicContact NZ-OE1 2.72Å; K1184-E1225 PolarHBondContact NZ-OE1 2.95Å; K1184-E1225 IonicContact NZ-OE2 3.74Å; K1184-E1225 PolarHBondContact NZ-OE2 3.07Å |
| 1185 | S | 69 | Low | 76.7 | Confident | 55 Ų | 55 | 29.8 Ų | 29.8 | 39% | 0.385 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -13.2 | 175.3 | 50.8 | 0 | 0 | 0 | 0 | 114.4 | N1137 P1183 | N1137-S1185 WeakPolarHBondContact OD1-CB 3.43Å; N1137-S1185 PolarHBondContact OD1-OG 2.72Å; P1183-S1185 PolarHBondContact O-N 2.92Å |
| 1186 | L | 71.1 | Confident | 76.3 | Confident | 7 Ų | 7 | 29.9 Ų | 29.9 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -42.9 | 170.1 | -155.4 | 164.4 | 0 | 0 | 0 | 111.5 | I1107 V1136 A1141 A1145 L1148 L1182 P1183 K1184 | I1107-L1186 HydrophobicContact CD1-CD1 4.25Å; V1136-L1186 HydrophobicContact CG1-CB 3.9Å; V1136-L1186 HydrophobicContact CG1-CD1 4.18Å; A1141-L1186 HydrophobicContact CB-CD1 4.03Å; A1145-L1186 HydrophobicContact CB-CG 4.43Å; A1145-L1186 WeakPolarHBondContact CB-O 3.44Å; L1148-L1186 HydrophobicContact CD1-CD2 3.92Å; L1182-L1186 HydrophobicContact CD2-CB 4.35Å; L1182-L1186 HydrophobicContact CD2-CD1 4.09Å; L1182-L1186 HydrophobicContact CD2-CD2 3.94Å; L1182-L1186 HydrophobicContact CD2-CG 4.35Å; P1183-L1186 PolarHBondContact O-N 3Å; K1184-L1186 VanDerWaalsContact C-N 3.29Å; K1184-L1186 PolarHBondContact O-N 3.05Å |
| 1187 | L | 78.2 | Confident | 76 | Confident | 9 Ų | 9 | 32.5 Ų | 32.5 | 5% | 0.047 | 17% | 0.173 | C | C | . | . | trans | -143.8 | 124.1 | -178.2 | -173.9 | 63.4 | 0 | 0 | 0 | 111.4 | I1172 L1191 L1192 | I1172-L1187 HydrophobicContact CD1-CD1 4.15Å; I1172-L1187 HydrophobicContact CD1-CD2 3.78Å; I1172-L1187 HydrophobicContact CG1-CD2 4.23Å; I1172-L1187 HydrophobicContact CG2-CD2 3.48Å; I1172-L1187 VanDerWaalsContact CG2-CD2 3.48Å; L1187-L1191 HydrophobicContact CD1-CB 4.43Å; L1187-L1191 HydrophobicContact CD1-CD2 3.93Å; L1187-L1192 HydrophobicContact CD2-CD1 3.75Å; L1187-L1192 HydrophobicContact CD2-CD2 4.33Å; L1187-L1192 HydrophobicContact CD2-CG 3.96Å | ||
| 1188 | S | 81.8 | Confident | 75.9 | Confident | 66 Ų | 66 | 30.8 Ų | 30.8 | 46% | 0.462 | 17% | 0.169 | S | C | . | . | trans | -79.8 | 135 | 170.1 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | Q1190 L1191 | S1188-Q1190 PolarHBondContact O-N 3.03Å; S1188-Q1190 PolarHBondContact OG-N 2.97Å; S1188-L1191 WeakPolarHBondContact O-CB 3.45Å; S1188-L1191 PolarHBondContact O-N 2.87Å; S1188-L1191 VanDerWaalsContact O-N 3.11Å | ||
| 1189 | Y | 77.8 | Confident | 75.8 | Confident | 9 Ų | 9 | 37.2 Ų | 37.2 | 4% | 0.035 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.3 | -36.2 | 177 | -52.1 | -39.2 | 0 | 0 | 0 | 112.3 | K1184 L1191 L1192 I1193 I1214 L1226 | K1184-Y1189 HydrophobicContact CG-CE2 4.41Å; Y1189-L1191 PolarHBondContact O-N 3.01Å; Y1189-L1191 VanDerWaalsContact O-N 3.17Å; Y1189-L1192 PolarHBondContact O-N 3.24Å; Y1189-I1193 WeakPolarHBondContact O-CD1 3.41Å; Y1189-I1193 VanDerWaalsContact O-CG1 3.31Å; Y1189-I1193 WeakPolarHBondContact O-CG1 3.4Å; Y1189-I1193 PolarHBondContact O-N 3.01Å; Y1189-I1214 HydrophobicContact CE1-CG2 4.14Å; Y1189-L1226 HydrophobicContact CD1-CD1 4.07Å; Y1189-L1226 HydrophobicContact CD2-CB 4.25Å; Y1189-L1226 HydrophobicContact CD2-CD1 4.02Å; Y1189-L1226 HydrophobicContact CE2-CB 4.32Å; Y1189-L1226 HydrophobicContact CG-CD1 3.68Å |
| 1190 | Q | 80.6 | Confident | 75.8 | Confident | 64 Ų | 64 | 38.4 Ų | 38.4 | 30% | 0.299 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -55 | -36.4 | 178.5 | -172.2 | 59.4 | 44 | 0 | 0 | 112.2 | S1188 L1192 I1193 D1194 | S1188-Q1190 PolarHBondContact O-N 3.03Å; S1188-Q1190 PolarHBondContact OG-N 2.97Å; Q1190-L1192 VanDerWaalsContact C-N 3.34Å; Q1190-L1192 PolarHBondContact O-N 3.19Å; Q1190-I1193 PolarHBondContact O-N 3.42Å; Q1190-D1194 PolarHBondContact NE2-OD1 2.94Å; Q1190-D1194 PolarHBondContact NE2-OD2 3Å; Q1190-D1194 WeakPolarHBondContact O-CB 3.23Å; Q1190-D1194 VanDerWaalsContact O-CG 3.3Å; Q1190-D1194 PolarHBondContact O-N 3.14Å |
| 1191 | L | 81.2 | Confident | 76 | Confident | 29 Ų | 29 | 42.9 Ų | 42.9 | 15% | 0.152 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.4 | -32.4 | -178.7 | -156.1 | 83.1 | 0 | 0 | 0 | 112.6 | R1149 L1152 T1153 L1187 S1188 Y1189 L1195 | R1149-L1191 HydrophobicContact CG-CD1 4.49Å; L1152-L1191 HydrophobicContact CB-CD2 3.94Å; L1152-L1191 HydrophobicContact CB-CG 4.46Å; L1152-L1191 HydrophobicContact CD1-CD2 4.07Å; T1153-L1191 HydrophobicContact CG2-CD1 4.05Å; L1187-L1191 HydrophobicContact CD1-CB 4.43Å; L1187-L1191 HydrophobicContact CD1-CD2 3.93Å; S1188-L1191 WeakPolarHBondContact O-CB 3.45Å; S1188-L1191 PolarHBondContact O-N 2.87Å; S1188-L1191 VanDerWaalsContact O-N 3.11Å; Y1189-L1191 PolarHBondContact O-N 3.01Å; Y1189-L1191 VanDerWaalsContact O-N 3.17Å; L1191-L1195 WeakPolarHBondContact O-CD1 3.34Å; L1191-L1195 WeakPolarHBondContact O-CG 3.32Å |
| 1192 | L | 82.3 | Confident | 76.2 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -78.7 | -30.7 | 172.2 | -71.9 | 178.5 | 0 | 0 | 0 | 111.9 | I1172 L1187 Y1189 Q1190 V1207 T1210 L1211 I1214 | I1172-L1192 HydrophobicContact CD1-CD2 4.3Å; L1187-L1192 HydrophobicContact CD2-CD1 3.75Å; L1187-L1192 HydrophobicContact CD2-CD2 4.33Å; L1187-L1192 HydrophobicContact CD2-CG 3.96Å; Y1189-L1192 PolarHBondContact O-N 3.24Å; Q1190-L1192 VanDerWaalsContact C-N 3.34Å; Q1190-L1192 PolarHBondContact O-N 3.19Å; L1192-V1207 HydrophobicContact CB-CG1 4.31Å; L1192-V1207 HydrophobicContact CD2-CG1 4.39Å; L1192-V1207 WeakPolarHBondContact O-CG1 3.16Å; L1192-T1210 HydrophobicContact CD1-CG2 4.01Å; L1192-L1211 HydrophobicContact CB-CD1 4.42Å; L1192-L1211 HydrophobicContact CB-CD2 3.8Å; L1192-L1211 HydrophobicContact CB-CG 4.17Å; L1192-L1211 HydrophobicContact CD1-CD2 3.87Å; L1192-L1211 HydrophobicContact CD1-CG 4.26Å; L1192-I1214 HydrophobicContact CD1-CD1 3.84Å |
| 1193 | I | 82.4 | Confident | 76.6 | Confident | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -72.7 | -41.1 | 178.9 | -64.8 | 160.2 | 0 | 0 | 0 | 110.6 | Y1189 Q1190 L1195 L1196 L1230 A1233 | Y1189-I1193 WeakPolarHBondContact O-CD1 3.41Å; Y1189-I1193 VanDerWaalsContact O-CG1 3.31Å; Y1189-I1193 WeakPolarHBondContact O-CG1 3.4Å; Y1189-I1193 PolarHBondContact O-N 3.01Å; Q1190-I1193 PolarHBondContact O-N 3.42Å; I1193-L1195 PolarHBondContact O-N 3.44Å; I1193-L1196 VanDerWaalsContact O-CB 3.26Å; I1193-L1196 WeakPolarHBondContact O-CB 3.41Å; I1193-L1196 WeakPolarHBondContact O-CG 3.22Å; I1193-L1196 PolarHBondContact O-N 3.15Å; I1193-L1230 HydrophobicContact CD1-CB 4.18Å; I1193-L1230 HydrophobicContact CG1-CD1 4.05Å; I1193-L1230 HydrophobicContact CG2-CD1 4.06Å; I1193-A1233 HydrophobicContact CG2-CB 3.68Å |
| 1194 | D | 80.6 | Confident | 77 | Confident | 59 Ų | 59 | 41.3 Ų | 41.3 | 32% | 0.316 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.5 | -28 | 175.3 | -70.2 | -31.6 | 0 | 0 | 0 | 112.5 | Q1190 L1196 D1197 K1239 | Q1190-D1194 PolarHBondContact NE2-OD1 2.94Å; Q1190-D1194 PolarHBondContact NE2-OD2 3Å; Q1190-D1194 WeakPolarHBondContact O-CB 3.23Å; Q1190-D1194 VanDerWaalsContact O-CG 3.3Å; Q1190-D1194 PolarHBondContact O-N 3.14Å; D1194-L1196 PolarHBondContact O-N 3.07Å; D1194-D1197 PolarHBondContact O-N 3.2Å; D1194-K1239 IonicContact OD1-NZ 2.75Å; D1194-K1239 PolarHBondContact OD1-NZ 3.26Å |
| 1195 | L | 81.2 | Confident | 77.4 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -5.8 | 173.4 | -73.3 | 167.7 | 0 | 0 | 0 | 114.2 | L1152 T1165 T1169 L1191 I1193 D1197 E1198 V1207 | L1152-L1195 HydrophobicContact CB-CD1 4.2Å; L1152-L1195 HydrophobicContact CD2-CD1 3.89Å; L1152-L1195 HydrophobicContact CG-CD1 4.49Å; T1165-L1195 HydrophobicContact CG2-CD2 4.29Å; T1169-L1195 HydrophobicContact CG2-CD1 4.32Å; L1191-L1195 WeakPolarHBondContact O-CD1 3.34Å; L1191-L1195 WeakPolarHBondContact O-CG 3.32Å; I1193-L1195 PolarHBondContact O-N 3.44Å; L1195-D1197 VanDerWaalsContact C-N 3.3Å; L1195-E1198 VanDerWaalsContact O-CB 3.22Å; L1195-E1198 WeakPolarHBondContact O-CB 3.43Å; L1195-E1198 PolarHBondContact O-N 2.97Å; L1195-V1207 HydrophobicContact CB-CG1 4.45Å; L1195-V1207 HydrophobicContact CB-CG2 4.1Å; L1195-V1207 HydrophobicContact CD1-CG2 4.25Å |
| 1196 | L | 76.4 | Confident | 77.8 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -24.1 | 170.5 | -59.5 | 177.9 | 0 | 0 | 0 | 111.7 | I1193 D1194 E1198 Q1204 V1207 V1208 L1211 L1230 Y1245 | I1193-L1196 VanDerWaalsContact O-CB 3.26Å; I1193-L1196 WeakPolarHBondContact O-CB 3.41Å; I1193-L1196 WeakPolarHBondContact O-CG 3.22Å; I1193-L1196 PolarHBondContact O-N 3.15Å; D1194-L1196 PolarHBondContact O-N 3.07Å; L1196-E1198 VanDerWaalsContact C-N 3.27Å; L1196-Q1204 PolarHBondContact O-NE2 2.82Å; L1196-V1207 HydrophobicContact CD2-CG1 3.77Å; L1196-V1207 HydrophobicContact CG-CG1 4.47Å; L1196-V1208 HydrophobicContact CD2-CG2 3.48Å; L1196-V1208 VanDerWaalsContact CD2-CG2 3.48Å; L1196-L1211 HydrophobicContact CD1-CD1 4.26Å; L1196-L1211 HydrophobicContact CD2-CD1 4.32Å; L1196-L1230 HydrophobicContact CD1-CD1 3.93Å; L1196-Y1245 HydrophobicContact CB-CD2 4.25Å; L1196-Y1245 HydrophobicContact CB-CE2 3.87Å; L1196-Y1245 WeakPolarHBondContact O-CE2 3.48Å |
| 1197 | D | 75.2 | Confident | 78.4 | Confident | 57 Ų | 57 | 34.8 Ų | 34.8 | 31% | 0.305 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -82.1 | -6 | 175.3 | -67.4 | -17.1 | 0 | 0 | 0 | 112.7 | D1194 L1195 S1241 | D1194-D1197 PolarHBondContact O-N 3.2Å; L1195-D1197 VanDerWaalsContact C-N 3.3Å; D1197-S1241 WeakPolarHBondContact OD1-CA 3.42Å |
| 1198 | E | 76.3 | Confident | 78.5 | Confident | 47 Ų | 47 | 34.4 Ų | 34.4 | 22% | 0.22 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -62.5 | 140.7 | 171.9 | -166.3 | 75.4 | -121.6 | 0 | 0 | 110.4 | T1161 L1195 L1196 D1200 V1203 Q1204 | T1161-E1198 HydrophobicContact CG2-CG 3.61Å; T1161-E1198 WeakPolarHBondContact CG2-OE1 3.44Å; L1195-E1198 VanDerWaalsContact O-CB 3.22Å; L1195-E1198 WeakPolarHBondContact O-CB 3.43Å; L1195-E1198 PolarHBondContact O-N 2.97Å; L1196-E1198 VanDerWaalsContact C-N 3.27Å; E1198-D1200 VanDerWaalsContact C-N 3.25Å; E1198-D1200 HydrophobicContact CG-CB 4.47Å; E1198-D1200 PolarHBondContact O-N 3.08Å; E1198-V1203 HydrophobicContact CG-CG1 4.42Å; E1198-Q1204 PolarHBondContact O-NE2 3.3Å |
| 1199 | K | 73.2 | Confident | 78.1 | Confident | 182 Ų | 182 | 31.8 Ų | 31.8 | 79% | 0.791 | 16% | 0.157 | S | C | * | . | S | Bend | trans | -78.8 | -2.4 | -173.8 | -67.5 | 178.2 | -177.8 | 170.2 | 0 | 115 | ||
| 1200 | D | 74.8 | Confident | 78.2 | Confident | 33 Ų | 33 | 31.4 Ų | 31.4 | 18% | 0.176 | 16% | 0.156 | C | C | . | . | trans | -97.5 | 104.7 | -172.4 | -169.6 | -27.5 | 0 | 0 | 0 | 110.9 | T1161 E1198 S1202 V1203 Q1204 | T1161-D1200 HydrophobicContact CG2-CB 3.5Å; T1161-D1200 PolarHBondContact OG1-OD2 3.17Å; E1198-D1200 VanDerWaalsContact C-N 3.25Å; E1198-D1200 HydrophobicContact CG-CB 4.47Å; E1198-D1200 PolarHBondContact O-N 3.08Å; D1200-S1202 PolarHBondContact O-N 3.42Å; D1200-S1202 VanDerWaalsContact O-N 3.1Å; D1200-S1202 VanDerWaalsContact OD1-CB 3.31Å; D1200-S1202 WeakPolarHBondContact OD1-CB 3.41Å; D1200-S1202 PolarHBondContact OD1-N 2.95Å; D1200-S1202 PolarHBondContact OD1-OG 2.68Å; D1200-V1203 HydrophobicContact CB-CB 4.12Å; D1200-V1203 HydrophobicContact CB-CG2 3.95Å; D1200-V1203 WeakPolarHBondContact O-CB 3.36Å; D1200-V1203 PolarHBondContact O-N 3.26Å; D1200-Q1204 PolarHBondContact O-N 2.96Å | ||
| 1201 | E | 74.4 | Confident | 78.2 | Confident | 110 Ų | 110 | 28.4 Ų | 28.4 | 51% | 0.514 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -56 | -27.6 | 179.6 | -52.2 | -91.1 | 162.3 | 0 | 0 | 111.5 | C1205 K1336 | E1201-C1205 PolarHBondContact O-N 3.42Å; E1201-C1205 PolarHBondContact O-SG 3.49Å; E1201-K1336 IonicContact OE1-NZ 3.2Å; E1201-K1336 PolarHBondContact OE1-NZ 3.31Å |
| 1202 | S | 73.1 | Confident | 78.1 | Confident | 16 Ų | 16 | 27 Ų | 27 | 11% | 0.112 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -73 | -39.1 | 177.5 | 76 | 0 | 0 | 0 | 0 | 112.7 | D1200 C1205 V1206 | D1200-S1202 PolarHBondContact O-N 3.42Å; D1200-S1202 VanDerWaalsContact O-N 3.1Å; D1200-S1202 VanDerWaalsContact OD1-CB 3.31Å; D1200-S1202 WeakPolarHBondContact OD1-CB 3.41Å; D1200-S1202 PolarHBondContact OD1-N 2.95Å; D1200-S1202 PolarHBondContact OD1-OG 2.68Å; S1202-C1205 PolarHBondContact O-N 2.87Å; S1202-V1206 WeakPolarHBondContact O-CG2 3.19Å; S1202-V1206 PolarHBondContact O-N 3.22Å |
| 1203 | V | 79.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.3 | -47.4 | 171.4 | 173.3 | 0 | 0 | 0 | 0 | 109.5 | T1161 I1166 T1169 E1198 D1200 C1205 V1206 V1207 | T1161-V1203 HydrophobicContact CG2-CG2 4.16Å; I1166-V1203 HydrophobicContact CB-CG2 4.37Å; I1166-V1203 HydrophobicContact CD1-CG2 4.48Å; I1166-V1203 HydrophobicContact CG1-CG2 3.82Å; I1166-V1203 HydrophobicContact CG2-CG2 4.23Å; T1169-V1203 HydrophobicContact CG2-CG1 4.19Å; E1198-V1203 HydrophobicContact CG-CG1 4.42Å; D1200-V1203 HydrophobicContact CB-CB 4.12Å; D1200-V1203 HydrophobicContact CB-CG2 3.95Å; D1200-V1203 WeakPolarHBondContact O-CB 3.36Å; D1200-V1203 PolarHBondContact O-N 3.26Å; V1203-C1205 PolarHBondContact O-N 3.44Å; V1203-V1206 PolarHBondContact O-N 3.27Å; V1203-V1206 VanDerWaalsContact O-N 3.14Å; V1203-V1207 HydrophobicContact CG1-CG2 3.99Å; V1203-V1207 WeakPolarHBondContact O-CB 3.44Å; V1203-V1207 VanDerWaalsContact O-CG2 3.31Å; V1203-V1207 WeakPolarHBondContact O-CG2 3.42Å; V1203-V1207 PolarHBondContact O-N 3.49Å |
| 1204 | Q | 79.6 | Confident | 77.5 | Confident | 16 Ų | 16 | 27.5 Ų | 27.5 | 8% | 0.075 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -55.5 | -48.1 | 176.2 | -67.1 | 179.2 | -1 | 0 | 0 | 111.5 | L1196 E1198 D1200 V1206 V1207 V1208 Y1245 I1269 | L1196-Q1204 PolarHBondContact O-NE2 2.82Å; E1198-Q1204 PolarHBondContact O-NE2 3.3Å; D1200-Q1204 PolarHBondContact O-N 2.96Å; Q1204-V1206 VanDerWaalsContact C-N 3.31Å; Q1204-V1206 PolarHBondContact O-N 3.49Å; Q1204-V1207 PolarHBondContact O-N 3.45Å; Q1204-V1208 WeakPolarHBondContact O-CB 3.34Å; Q1204-V1208 WeakPolarHBondContact O-CG2 3.04Å; Q1204-V1208 PolarHBondContact O-N 3.38Å; Q1204-Y1245 PolarHBondContact NE2-OH 3.05Å; Q1204-Y1245 PolarHBondContact OE1-OH 2.74Å; Q1204-I1269 HydrophobicContact CB-CG2 4.3Å |
| 1205 | C | 76.3 | Confident | 77.3 | Confident | 22 Ų | 22 | 25.5 Ų | 25.5 | 15% | 0.149 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -55.5 | -41.7 | 176.8 | -73 | 0 | 0 | 0 | 0 | 113.4 | E1201 S1202 V1203 A1209 | E1201-C1205 PolarHBondContact O-N 3.42Å; E1201-C1205 PolarHBondContact O-SG 3.49Å; S1202-C1205 PolarHBondContact O-N 2.87Å; V1203-C1205 PolarHBondContact O-N 3.44Å; C1205-A1209 WeakPolarHBondContact O-CB 3.49Å; C1205-A1209 PolarHBondContact O-N 3.02Å; C1205-A1209 VanDerWaalsContact O-N 3.1Å |
| 1206 | V | 78.8 | Confident | 76.8 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -74.4 | -45.7 | -179.6 | 176.1 | 0 | 0 | 0 | 0 | 111.4 | T1169 L1170 L1173 S1202 V1203 Q1204 V1208 A1209 T1210 F1295 | T1169-V1206 VanDerWaalsContact C-CG1 3.46Å; T1169-V1206 WeakPolarHBondContact O-CG1 3.2Å; T1169-V1206 WeakPolarHBondContact OG1-CG1 3.5Å; L1170-V1206 HydrophobicContact CD2-CG1 3.99Å; L1170-V1206 HydrophobicContact CD2-CG2 3.87Å; L1170-V1206 HydrophobicContact CG-CG1 4.42Å; L1173-V1206 HydrophobicContact CB-CG1 4.13Å; L1173-V1206 HydrophobicContact CD2-CG1 4.05Å; S1202-V1206 WeakPolarHBondContact O-CG2 3.19Å; S1202-V1206 PolarHBondContact O-N 3.22Å; V1203-V1206 PolarHBondContact O-N 3.27Å; V1203-V1206 VanDerWaalsContact O-N 3.14Å; Q1204-V1206 VanDerWaalsContact C-N 3.31Å; Q1204-V1206 PolarHBondContact O-N 3.49Å; V1206-V1208 VanDerWaalsContact C-N 3.29Å; V1206-V1208 PolarHBondContact O-N 3.38Å; V1206-A1209 PolarHBondContact O-N 3.44Å; V1206-T1210 WeakPolarHBondContact O-CB 3.45Å; V1206-T1210 PolarHBondContact O-N 3.48Å; V1206-T1210 PolarHBondContact O-OG1 3.26Å; V1206-F1295 HydrophobicContact CG2-CD1 3.92Å; V1206-F1295 HydrophobicContact CG2-CE1 4.48Å |
| 1207 | V | 82.6 | Confident | 76.6 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.2 | -40.6 | 176.5 | 169.1 | 0 | 0 | 0 | 0 | 111.1 | T1169 L1192 L1195 L1196 V1203 Q1204 T1210 L1211 | T1169-V1207 HydrophobicContact CG2-CG2 3.71Å; L1192-V1207 HydrophobicContact CB-CG1 4.31Å; L1192-V1207 HydrophobicContact CD2-CG1 4.39Å; L1192-V1207 WeakPolarHBondContact O-CG1 3.16Å; L1195-V1207 HydrophobicContact CB-CG1 4.45Å; L1195-V1207 HydrophobicContact CB-CG2 4.1Å; L1195-V1207 HydrophobicContact CD1-CG2 4.25Å; L1196-V1207 HydrophobicContact CD2-CG1 3.77Å; L1196-V1207 HydrophobicContact CG-CG1 4.47Å; V1203-V1207 HydrophobicContact CG1-CG2 3.99Å; V1203-V1207 WeakPolarHBondContact O-CB 3.44Å; V1203-V1207 VanDerWaalsContact O-CG2 3.31Å; V1203-V1207 WeakPolarHBondContact O-CG2 3.42Å; V1203-V1207 PolarHBondContact O-N 3.49Å; Q1204-V1207 PolarHBondContact O-N 3.45Å; V1207-T1210 VanDerWaalsContact O-CB 3.29Å; V1207-T1210 WeakPolarHBondContact O-CB 3.47Å; V1207-T1210 PolarHBondContact O-N 2.84Å; V1207-L1211 HydrophobicContact CG1-CD1 3.94Å; V1207-L1211 HydrophobicContact CG1-CG 4.45Å; V1207-L1211 WeakPolarHBondContact O-CG 3.31Å; V1207-L1211 PolarHBondContact O-N 3Å |
| 1208 | V | 79.8 | Confident | 76.5 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -75.7 | -40.8 | -177.2 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | L1196 Q1204 V1206 T1210 L1211 G1212 I1265 V1266 I1269 | L1196-V1208 HydrophobicContact CD2-CG2 3.48Å; L1196-V1208 VanDerWaalsContact CD2-CG2 3.48Å; Q1204-V1208 WeakPolarHBondContact O-CB 3.34Å; Q1204-V1208 WeakPolarHBondContact O-CG2 3.04Å; Q1204-V1208 PolarHBondContact O-N 3.38Å; V1206-V1208 VanDerWaalsContact C-N 3.29Å; V1206-V1208 PolarHBondContact O-N 3.38Å; V1208-T1210 PolarHBondContact O-N 3.45Å; V1208-L1211 PolarHBondContact O-N 2.98Å; V1208-G1212 PolarHBondContact O-N 3.25Å; V1208-I1265 HydrophobicContact CG1-CG2 4.22Å; V1208-I1265 HydrophobicContact CG2-CG2 4.25Å; V1208-V1266 HydrophobicContact CG1-CB 3.99Å; V1208-V1266 HydrophobicContact CG1-CG1 4.04Å; V1208-V1266 HydrophobicContact CG1-CG2 3.69Å; V1208-V1266 WeakPolarHBondContact O-CG2 3.33Å; V1208-I1269 HydrophobicContact CB-CD1 4.37Å; V1208-I1269 HydrophobicContact CG1-CB 4.29Å; V1208-I1269 HydrophobicContact CG1-CD1 4.18Å; V1208-I1269 HydrophobicContact CG2-CD1 3.59Å |
| 1209 | A | 74.8 | Confident | 76.3 | Confident | 10 Ų | 10 | 30.8 Ų | 30.8 | 8% | 0.083 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.2 | -33.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1173 C1205 V1206 L1213 | L1173-A1209 HydrophobicContact CD1-CB 4.2Å; C1205-A1209 WeakPolarHBondContact O-CB 3.49Å; C1205-A1209 PolarHBondContact O-N 3.02Å; C1205-A1209 VanDerWaalsContact O-N 3.1Å; V1206-A1209 PolarHBondContact O-N 3.44Å; A1209-L1213 WeakPolarHBondContact O-CB 3.12Å; A1209-L1213 PolarHBondContact O-N 2.89Å |
| 1210 | T | 78.6 | Confident | 76.2 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69 | -54.3 | 175.7 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | I1172 L1173 V1176 L1192 V1206 V1207 V1208 G1212 L1213 I1214 | I1172-T1210 HydrophobicContact CB-CG2 4.44Å; I1172-T1210 HydrophobicContact CG2-CG2 3.55Å; L1173-T1210 WeakPolarHBondContact CA-OG1 3.33Å; L1173-T1210 WeakPolarHBondContact CB-OG1 3.49Å; V1176-T1210 HydrophobicContact CG2-CG2 3.79Å; L1192-T1210 HydrophobicContact CD1-CG2 4.01Å; V1206-T1210 WeakPolarHBondContact O-CB 3.45Å; V1206-T1210 PolarHBondContact O-N 3.48Å; V1206-T1210 PolarHBondContact O-OG1 3.26Å; V1207-T1210 VanDerWaalsContact O-CB 3.29Å; V1207-T1210 WeakPolarHBondContact O-CB 3.47Å; V1207-T1210 PolarHBondContact O-N 2.84Å; V1208-T1210 PolarHBondContact O-N 3.45Å; T1210-G1212 VanDerWaalsContact C-N 3.32Å; T1210-G1212 PolarHBondContact O-N 2.97Å; T1210-L1213 PolarHBondContact O-N 3.48Å; T1210-L1213 VanDerWaalsContact O-N 3.1Å; T1210-I1214 HydrophobicContact CG2-CD1 4.18Å; T1210-I1214 WeakPolarHBondContact O-CG1 3.21Å; T1210-I1214 PolarHBondContact O-N 3.36Å |
| 1211 | L | 80.9 | Confident | 76.1 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.9 | -43.2 | 178.3 | -73.8 | 167.6 | 0 | 0 | 0 | 111.7 | L1192 L1196 V1207 V1208 L1213 I1214 Y1215 L1226 L1262 | L1192-L1211 HydrophobicContact CB-CD1 4.42Å; L1192-L1211 HydrophobicContact CB-CD2 3.8Å; L1192-L1211 HydrophobicContact CB-CG 4.17Å; L1192-L1211 HydrophobicContact CD1-CD2 3.87Å; L1192-L1211 HydrophobicContact CD1-CG 4.26Å; L1196-L1211 HydrophobicContact CD1-CD1 4.26Å; L1196-L1211 HydrophobicContact CD2-CD1 4.32Å; V1207-L1211 HydrophobicContact CG1-CD1 3.94Å; V1207-L1211 HydrophobicContact CG1-CG 4.45Å; V1207-L1211 WeakPolarHBondContact O-CG 3.31Å; V1207-L1211 PolarHBondContact O-N 3Å; V1208-L1211 PolarHBondContact O-N 2.98Å; L1211-L1213 VanDerWaalsContact C-N 3.31Å; L1211-L1213 PolarHBondContact O-N 3.13Å; L1211-I1214 PolarHBondContact O-N 3.18Å; L1211-Y1215 WeakPolarHBondContact O-CB 3.17Å; L1211-Y1215 PolarHBondContact O-N 2.88Å; L1211-L1226 HydrophobicContact CD2-CD1 4.13Å; L1211-L1262 HydrophobicContact CB-CD1 3.82Å; L1211-L1262 HydrophobicContact CB-CD2 4.3Å |
| 1212 | G | 78.6 | Confident | 76.1 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62 | -35.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | V1208 T1210 D1216 | V1208-G1212 PolarHBondContact O-N 3.25Å; T1210-G1212 VanDerWaalsContact C-N 3.32Å; T1210-G1212 PolarHBondContact O-N 2.97Å; G1212-D1216 WeakPolarHBondContact O-CB 3.41Å; G1212-D1216 PolarHBondContact O-N 3.44Å |
| 1213 | L | 74.5 | Confident | 76.2 | Confident | 14 Ų | 14 | 34.1 Ų | 34.1 | 7% | 0.073 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -78.5 | -32.3 | 177.5 | -171.9 | 66.1 | 0 | 0 | 0 | 112.4 | V1176 R1177 A1209 T1210 L1211 D1216 R1217 T1302 L1306 | V1176-L1213 HydrophobicContact CB-CD2 4.16Å; V1176-L1213 HydrophobicContact CG1-CB 3.96Å; V1176-L1213 HydrophobicContact CG1-CD2 3.77Å; V1176-L1213 HydrophobicContact CG1-CG 3.67Å; R1177-L1213 HydrophobicContact CB-CD2 4.22Å; R1177-L1213 HydrophobicContact CG-CD2 3.36Å; A1209-L1213 WeakPolarHBondContact O-CB 3.12Å; A1209-L1213 PolarHBondContact O-N 2.89Å; T1210-L1213 PolarHBondContact O-N 3.48Å; T1210-L1213 VanDerWaalsContact O-N 3.1Å; L1211-L1213 VanDerWaalsContact C-N 3.31Å; L1211-L1213 PolarHBondContact O-N 3.13Å; L1213-D1216 PolarHBondContact O-N 2.93Å; L1213-R1217 HydrophobicContact CD1-CG 4.35Å; L1213-R1217 WeakPolarHBondContact O-CB 3.39Å; L1213-R1217 VanDerWaalsContact O-CG 3.32Å; L1213-R1217 WeakPolarHBondContact O-CG 3.34Å; L1213-R1217 PolarHBondContact O-N 3.05Å; L1213-T1302 HydrophobicContact CD2-CG2 4.12Å; L1213-L1306 HydrophobicContact CB-CD1 4.4Å |
| 1214 | I | 77.7 | Confident | 76 | Confident | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.7 | -53.1 | 167.7 | -66.7 | 168.4 | 0 | 0 | 0 | 108.6 | V1176 Y1189 L1192 T1210 L1211 D1216 R1217 S1218 L1226 | V1176-I1214 HydrophobicContact CB-CG1 4.41Å; V1176-I1214 HydrophobicContact CG1-CG1 3.79Å; V1176-I1214 HydrophobicContact CG2-CD1 3.98Å; V1176-I1214 HydrophobicContact CG2-CG1 3.59Å; Y1189-I1214 HydrophobicContact CE1-CG2 4.14Å; L1192-I1214 HydrophobicContact CD1-CD1 3.84Å; T1210-I1214 HydrophobicContact CG2-CD1 4.18Å; T1210-I1214 WeakPolarHBondContact O-CG1 3.21Å; T1210-I1214 PolarHBondContact O-N 3.36Å; L1211-I1214 PolarHBondContact O-N 3.18Å; I1214-D1216 VanDerWaalsContact C-N 3.32Å; I1214-D1216 PolarHBondContact O-N 3.36Å; I1214-R1217 CarbonylContact O-C 3.55Å; I1214-R1217 PolarHBondContact O-N 2.84Å; I1214-S1218 WeakPolarHBondContact O-CB 3.45Å; I1214-S1218 PolarHBondContact O-N 3.32Å; I1214-L1226 HydrophobicContact CG2-CD2 4.15Å |
| 1215 | Y | 76.5 | Confident | 75.9 | Confident | 17 Ų | 17 | 40.4 Ų | 40.4 | 7% | 0.067 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -54.7 | -44.5 | 175.7 | 176.8 | -89.6 | 0 | 0 | 0 | 112.5 | L1211 R1217 R1223 I1227 D1259 L1262 L1310 S1313 | L1211-Y1215 WeakPolarHBondContact O-CB 3.17Å; L1211-Y1215 PolarHBondContact O-N 2.88Å; Y1215-R1217 PolarHBondContact O-N 3.03Å; Y1215-R1223 HydrophobicContact CD2-CB 4.13Å; Y1215-R1223 HydrophobicContact CD2-CG 3.74Å; Y1215-R1223 HydrophobicContact CE2-CB 4.09Å; Y1215-R1223 HydrophobicContact CE2-CG 3.94Å; Y1215-R1223 HydrophobicContact CG-CG 4.32Å; Y1215-R1223 PolarHBondContact O-NE 3.48Å; Y1215-R1223 PolarHBondContact O-NH2 3.38Å; Y1215-I1227 HydrophobicContact CE2-CD1 3.86Å; Y1215-I1227 HydrophobicContact CE2-CG1 4.32Å; Y1215-D1259 PolarHBondContact OH-O 3.15Å; Y1215-L1262 HydrophobicContact CD2-CD2 4.16Å; Y1215-L1262 HydrophobicContact CG-CD2 4.16Å; Y1215-L1310 HydrophobicContact CD1-CD2 3.79Å; Y1215-L1310 HydrophobicContact CE1-CD2 3.74Å; Y1215-S1313 PolarHBondContact OH-OG 3.17Å |
| 1216 | D | 72.2 | Confident | 76.1 | Confident | 12 Ų | 12 | 39.4 Ų | 39.4 | 6% | 0.064 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.1 | -33 | 177.5 | -174.6 | 64.4 | 0 | 0 | 0 | 113.3 | G1212 L1213 I1214 R1223 R1309 | G1212-D1216 WeakPolarHBondContact O-CB 3.41Å; G1212-D1216 PolarHBondContact O-N 3.44Å; L1213-D1216 PolarHBondContact O-N 2.93Å; I1214-D1216 VanDerWaalsContact C-N 3.32Å; I1214-D1216 PolarHBondContact O-N 3.36Å; D1216-R1223 PolarHBondContact O-NH2 3.21Å; D1216-R1223 VanDerWaalsContact O-NH2 3.09Å; D1216-R1309 PolarHBondContact O-NH2 3.39Å; D1216-R1309 VanDerWaalsContact OD1-CD 3.29Å; D1216-R1309 WeakPolarHBondContact OD1-CD 3.49Å; D1216-R1309 WeakPolarHBondContact OD1-CG 3.47Å; D1216-R1309 IonicContact OD1-CZ 2.76Å; D1216-R1309 IonicContact OD1-NE 3.88Å; D1216-R1309 PolarHBondContact OD1-NE 2.82Å; D1216-R1309 IonicContact OD1-NH2 3.19Å; D1216-R1309 IonicContact OD2-CZ 3.93Å; D1216-R1309 IonicContact OD2-NE 2.74Å; D1216-R1309 PolarHBondContact OD2-NE 3.42Å; D1216-R1309 IonicContact OD2-NH2 2.7Å |
| 1217 | R | 71 | Confident | 76.1 | Confident | 148 Ų | 148 | 40 Ų | 40 | 56% | 0.558 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -106.1 | -16.6 | -170.5 | -60.7 | -63.9 | 173 | 132.9 | 1.5 | 115.4 | L1213 I1214 Y1215 | L1213-R1217 HydrophobicContact CD1-CG 4.35Å; L1213-R1217 WeakPolarHBondContact O-CB 3.39Å; L1213-R1217 VanDerWaalsContact O-CG 3.32Å; L1213-R1217 WeakPolarHBondContact O-CG 3.34Å; L1213-R1217 PolarHBondContact O-N 3.05Å; I1214-R1217 CarbonylContact O-C 3.55Å; I1214-R1217 PolarHBondContact O-N 2.84Å; Y1215-R1217 PolarHBondContact O-N 3.03Å |
| 1218 | S | 74 | Confident | 76.1 | Confident | 6 Ų | 6 | 43.7 Ų | 43.7 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -72.4 | 161.9 | 175.6 | -94.6 | 0 | 0 | 0 | 0 | 114.1 | P1181 I1214 E1222 R1223 | P1181-S1218 VanDerWaalsContact CB-OG 3.32Å; P1181-S1218 WeakPolarHBondContact CB-OG 3.36Å; I1214-S1218 WeakPolarHBondContact O-CB 3.45Å; I1214-S1218 PolarHBondContact O-N 3.32Å; S1218-E1222 WeakPolarHBondContact CA-OE2 3.48Å; S1218-E1222 WeakPolarHBondContact CB-OE2 3.31Å; S1218-E1222 PolarHBondContact OG-OE2 3.43Å; S1218-R1223 PolarHBondContact O-NE 3.28Å; S1218-R1223 PolarHBondContact O-NH2 2.76Å |
| 1219 | S | 71 | Confident | 76.1 | Confident | 53 Ų | 53 | 45 Ų | 45 | 37% | 0.371 | 23% | 0.23 | S | C | . | . | trans | -69.8 | 169.7 | 170.5 | 71.8 | 0 | 0 | 0 | 0 | 112.3 | E1222 R1223 | S1219-E1222 PolarHBondContact N-OE2 2.81Å; S1219-E1222 PolarHBondContact O-N 3.22Å; S1219-E1222 WeakPolarHBondContact OG-CG 3.39Å; S1219-E1222 PolarHBondContact OG-N 3.25Å; S1219-R1223 WeakPolarHBondContact O-CB 3.48Å; S1219-R1223 VanDerWaalsContact O-CG 3.23Å; S1219-R1223 WeakPolarHBondContact O-CG 3.44Å; S1219-R1223 PolarHBondContact O-N 3.42Å | ||
| 1220 | E | 71.3 | Confident | 76.5 | Confident | 162 Ų | 162 | 44.6 Ų | 44.6 | 76% | 0.757 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -65.5 | -39.8 | 179.3 | -166.5 | 160.9 | -169.3 | 0 | 0 | 112.4 | R1223 S1224 | E1220-R1223 PolarHBondContact O-N 3.16Å; E1220-S1224 PolarHBondContact O-N 3.35Å |
| 1221 | D | 73.2 | Confident | 76.5 | Confident | 126 Ų | 126 | 45.9 Ų | 45.9 | 67% | 0.674 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -61.3 | -49.5 | 173.6 | -50.7 | -65.7 | 0 | 0 | 0 | 111.4 | R1223 S1224 E1225 | D1221-R1223 VanDerWaalsContact C-N 3.33Å; D1221-R1223 PolarHBondContact O-N 2.96Å; D1221-S1224 PolarHBondContact O-N 3.1Å; D1221-S1224 VanDerWaalsContact O-N 3.11Å; D1221-S1224 PolarHBondContact O-OG 3.38Å; D1221-E1225 PolarHBondContact O-N 3.33Å |
| 1222 | E | 73.4 | Confident | 76.5 | Confident | 56 Ų | 56 | 52 Ų | 52 | 26% | 0.262 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 178.6 | -75.7 | 177.6 | 168.8 | 0 | 0 | 112.4 | S1218 S1219 E1225 L1226 | S1218-E1222 WeakPolarHBondContact CA-OE2 3.48Å; S1218-E1222 WeakPolarHBondContact CB-OE2 3.31Å; S1218-E1222 PolarHBondContact OG-OE2 3.43Å; S1219-E1222 PolarHBondContact N-OE2 2.81Å; S1219-E1222 PolarHBondContact O-N 3.22Å; S1219-E1222 WeakPolarHBondContact OG-CG 3.39Å; S1219-E1222 PolarHBondContact OG-N 3.25Å; E1222-E1225 PolarHBondContact O-N 3.23Å; E1222-L1226 VanDerWaalsContact O-CB 3.32Å; E1222-L1226 WeakPolarHBondContact O-CB 3.4Å; E1222-L1226 PolarHBondContact O-N 3.29Å |
| 1223 | R | 76 | Confident | 76.3 | Confident | 68 Ų | 68 | 52.5 Ų | 52.5 | 26% | 0.257 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.7 | -49.6 | 172.1 | -74.3 | 169.4 | -178.1 | 152.8 | 6.5 | 110.3 | Y1215 D1216 S1218 S1219 E1220 D1221 E1225 L1226 I1227 | Y1215-R1223 HydrophobicContact CD2-CB 4.13Å; Y1215-R1223 HydrophobicContact CD2-CG 3.74Å; Y1215-R1223 HydrophobicContact CE2-CB 4.09Å; Y1215-R1223 HydrophobicContact CE2-CG 3.94Å; Y1215-R1223 HydrophobicContact CG-CG 4.32Å; Y1215-R1223 PolarHBondContact O-NE 3.48Å; Y1215-R1223 PolarHBondContact O-NH2 3.38Å; D1216-R1223 PolarHBondContact O-NH2 3.21Å; D1216-R1223 VanDerWaalsContact O-NH2 3.09Å; S1218-R1223 PolarHBondContact O-NE 3.28Å; S1218-R1223 PolarHBondContact O-NH2 2.76Å; S1219-R1223 WeakPolarHBondContact O-CB 3.48Å; S1219-R1223 VanDerWaalsContact O-CG 3.23Å; S1219-R1223 WeakPolarHBondContact O-CG 3.44Å; S1219-R1223 PolarHBondContact O-N 3.42Å; E1220-R1223 PolarHBondContact O-N 3.16Å; D1221-R1223 VanDerWaalsContact C-N 3.33Å; D1221-R1223 PolarHBondContact O-N 2.96Å; R1223-E1225 VanDerWaalsContact C-N 3.26Å; R1223-E1225 PolarHBondContact O-N 3.11Å; R1223-L1226 PolarHBondContact O-N 3.19Å; R1223-I1227 HydrophobicContact CB-CD1 4.33Å; R1223-I1227 WeakPolarHBondContact O-CB 3.49Å; R1223-I1227 WeakPolarHBondContact O-CD1 3.26Å; R1223-I1227 WeakPolarHBondContact O-CG1 3.4Å; R1223-I1227 PolarHBondContact O-N 2.95Å |
| 1224 | S | 74.9 | Confident | 76.2 | Confident | 64 Ų | 64 | 52.1 Ų | 52.1 | 45% | 0.448 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.7 | -38.8 | -178.3 | 80.7 | 0 | 0 | 0 | 0 | 112.1 | E1220 D1221 T1228 | E1220-S1224 PolarHBondContact O-N 3.35Å; D1221-S1224 PolarHBondContact O-N 3.1Å; D1221-S1224 VanDerWaalsContact O-N 3.11Å; D1221-S1224 PolarHBondContact O-OG 3.38Å; S1224-T1228 WeakPolarHBondContact O-CB 3.25Å; S1224-T1228 PolarHBondContact O-N 3.29Å; S1224-T1228 PolarHBondContact O-OG1 2.87Å |
| 1225 | E | 78.9 | Confident | 75.7 | Confident | 83 Ų | 83 | 53.9 Ų | 53.9 | 39% | 0.388 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -72.8 | -39.6 | 177 | -168.6 | -175 | 151.7 | 0 | 0 | 112.6 | K1184 D1221 E1222 R1223 T1228 S1229 | K1184-E1225 WeakPolarHBondContact CE-OE1 3.02Å; K1184-E1225 IonicContact NZ-OE1 2.72Å; K1184-E1225 PolarHBondContact NZ-OE1 2.95Å; K1184-E1225 IonicContact NZ-OE2 3.74Å; K1184-E1225 PolarHBondContact NZ-OE2 3.07Å; D1221-E1225 PolarHBondContact O-N 3.33Å; E1222-E1225 PolarHBondContact O-N 3.23Å; R1223-E1225 VanDerWaalsContact C-N 3.26Å; R1223-E1225 PolarHBondContact O-N 3.11Å; E1225-T1228 PolarHBondContact O-N 3.23Å; E1225-S1229 WeakPolarHBondContact O-CB 3.37Å; E1225-S1229 PolarHBondContact O-N 2.84Å; E1225-S1229 PolarHBondContact O-OG 2.83Å |
| 1226 | L | 79.7 | Confident | 74.9 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 173 | 174.4 | 62.2 | 0 | 0 | 0 | 111.4 | Y1189 L1211 I1214 E1222 R1223 S1229 L1230 L1262 | Y1189-L1226 HydrophobicContact CD1-CD1 4.07Å; Y1189-L1226 HydrophobicContact CD2-CB 4.25Å; Y1189-L1226 HydrophobicContact CD2-CD1 4.02Å; Y1189-L1226 HydrophobicContact CE2-CB 4.32Å; Y1189-L1226 HydrophobicContact CG-CD1 3.68Å; L1211-L1226 HydrophobicContact CD2-CD1 4.13Å; I1214-L1226 HydrophobicContact CG2-CD2 4.15Å; E1222-L1226 VanDerWaalsContact O-CB 3.32Å; E1222-L1226 WeakPolarHBondContact O-CB 3.4Å; E1222-L1226 PolarHBondContact O-N 3.29Å; R1223-L1226 PolarHBondContact O-N 3.19Å; L1226-S1229 PolarHBondContact O-N 3.22Å; L1226-L1230 VanDerWaalsContact O-CB 3.25Å; L1226-L1230 WeakPolarHBondContact O-CB 3.43Å; L1226-L1230 PolarHBondContact O-N 2.96Å; L1226-L1262 HydrophobicContact CD2-CD2 3.74Å; L1226-L1262 HydrophobicContact CG-CD2 4.19Å |
| 1227 | I | 79.3 | Confident | 74.2 | Confident | 13 Ų | 13 | 64.3 Ų | 64.3 | 7% | 0.067 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 174.8 | -68.2 | 153.5 | 0 | 0 | 0 | 110.8 | Y1215 R1223 L1230 T1231 P1258 D1259 | Y1215-I1227 HydrophobicContact CE2-CD1 3.86Å; Y1215-I1227 HydrophobicContact CE2-CG1 4.32Å; R1223-I1227 HydrophobicContact CB-CD1 4.33Å; R1223-I1227 WeakPolarHBondContact O-CB 3.49Å; R1223-I1227 WeakPolarHBondContact O-CD1 3.26Å; R1223-I1227 WeakPolarHBondContact O-CG1 3.4Å; R1223-I1227 PolarHBondContact O-N 2.95Å; I1227-L1230 PolarHBondContact O-N 3.11Å; I1227-T1231 HydrophobicContact CG2-CG2 4.46Å; I1227-T1231 WeakPolarHBondContact O-CB 3.3Å; I1227-T1231 WeakPolarHBondContact O-CG2 3.38Å; I1227-T1231 PolarHBondContact O-N 2.7Å; I1227-T1231 PolarHBondContact O-OG1 3.04Å; I1227-P1258 VanDerWaalsContact CG2-O 3.31Å; I1227-P1258 WeakPolarHBondContact CG2-O 3.2Å; I1227-D1259 HydrophobicContact CD1-CB 3.99Å |
| 1228 | T | 81.7 | Confident | 73.5 | Confident | 79 Ų | 79 | 67.2 Ų | 67.2 | 49% | 0.485 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 178.1 | -58.2 | 0 | 0 | 0 | 0 | 110.7 | S1224 E1225 L1230 T1231 Q1232 | S1224-T1228 WeakPolarHBondContact O-CB 3.25Å; S1224-T1228 PolarHBondContact O-N 3.29Å; S1224-T1228 PolarHBondContact O-OG1 2.87Å; E1225-T1228 PolarHBondContact O-N 3.23Å; T1228-L1230 PolarHBondContact O-N 3.44Å; T1228-T1231 PolarHBondContact O-N 2.76Å; T1228-T1231 PolarHBondContact O-OG1 2.98Å; T1228-Q1232 VanDerWaalsContact O-CB 3.26Å; T1228-Q1232 WeakPolarHBondContact O-CB 3.32Å; T1228-Q1232 PolarHBondContact O-N 3.46Å |
| 1229 | S | 81.2 | Confident | 72.6 | Confident | 28 Ų | 28 | 71 Ų | 71 | 20% | 0.196 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.8 | -46 | 176.1 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | E1225 L1226 A1233 | E1225-S1229 WeakPolarHBondContact O-CB 3.37Å; E1225-S1229 PolarHBondContact O-N 2.84Å; E1225-S1229 PolarHBondContact O-OG 2.83Å; L1226-S1229 PolarHBondContact O-N 3.22Å; S1229-A1233 VanDerWaalsContact O-CB 3.24Å; S1229-A1233 WeakPolarHBondContact O-CB 3.42Å; S1229-A1233 PolarHBondContact O-N 2.84Å |
| 1230 | L | 81.4 | Confident | 71.8 | Confident | 2 Ų | 2 | 74 Ų | 74 | 1% | 0.01 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -64 | -45.6 | 178.9 | 179.4 | 67.8 | 0 | 0 | 0 | 112.2 | I1193 L1196 L1226 I1227 T1228 I1234 L1262 I1265 | I1193-L1230 HydrophobicContact CD1-CB 4.18Å; I1193-L1230 HydrophobicContact CG1-CD1 4.05Å; I1193-L1230 HydrophobicContact CG2-CD1 4.06Å; L1196-L1230 HydrophobicContact CD1-CD1 3.93Å; L1226-L1230 VanDerWaalsContact O-CB 3.25Å; L1226-L1230 WeakPolarHBondContact O-CB 3.43Å; L1226-L1230 PolarHBondContact O-N 2.96Å; I1227-L1230 PolarHBondContact O-N 3.11Å; T1228-L1230 PolarHBondContact O-N 3.44Å; L1230-I1234 HydrophobicContact CD1-CD1 3.52Å; L1230-I1234 HydrophobicContact CD1-CG1 4.47Å; L1230-I1234 HydrophobicContact CG-CD1 3.96Å; L1230-I1234 WeakPolarHBondContact O-CB 3.25Å; L1230-I1234 WeakPolarHBondContact O-CG1 3.19Å; L1230-I1234 PolarHBondContact O-N 3.35Å; L1230-I1234 VanDerWaalsContact O-N 3.15Å; L1230-L1262 HydrophobicContact CD2-CB 3.62Å; L1230-L1262 HydrophobicContact CD2-CD1 4.07Å; L1230-L1262 HydrophobicContact CD2-CG 4.31Å; L1230-I1265 HydrophobicContact CD2-CD1 4.23Å |
| 1231 | T | 79.4 | Confident | 71.2 | Confident | 27 Ų | 27 | 67.6 Ų | 67.6 | 17% | 0.166 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -73.8 | -32.2 | -178.9 | 50.1 | 0 | 0 | 0 | 0 | 112.9 | I1227 T1228 G1235 A1261 | I1227-T1231 HydrophobicContact CG2-CG2 4.46Å; I1227-T1231 WeakPolarHBondContact O-CB 3.3Å; I1227-T1231 WeakPolarHBondContact O-CG2 3.38Å; I1227-T1231 PolarHBondContact O-N 2.7Å; I1227-T1231 PolarHBondContact O-OG1 3.04Å; T1228-T1231 PolarHBondContact O-N 2.76Å; T1228-T1231 PolarHBondContact O-OG1 2.98Å; T1231-G1235 PolarHBondContact O-N 3.47Å; T1231-G1235 VanDerWaalsContact O-N 3.08Å; T1231-A1261 HydrophobicContact CG2-CB 4.12Å |
| 1232 | Q | 81.2 | Confident | 70.9 | Confident | 129 Ų | 129 | 63 Ų | 63 | 60% | 0.603 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66.6 | -51.7 | 170.8 | -175.4 | 175.2 | 2.8 | 0 | 0 | 111.2 | T1228 I1234 G1235 D1236 | T1228-Q1232 VanDerWaalsContact O-CB 3.26Å; T1228-Q1232 WeakPolarHBondContact O-CB 3.32Å; T1228-Q1232 PolarHBondContact O-N 3.46Å; Q1232-I1234 VanDerWaalsContact C-N 3.28Å; Q1232-I1234 PolarHBondContact O-N 3.36Å; Q1232-G1235 PolarHBondContact O-N 3.26Å; Q1232-G1235 VanDerWaalsContact O-N 3.16Å; Q1232-D1236 PolarHBondContact O-N 2.84Å |
| 1233 | A | 74 | Confident | 70.9 | Confident | 11 Ų | 11 | 65.1 Ų | 65.1 | 9% | 0.091 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.6 | -28.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I1193 S1229 | I1193-A1233 HydrophobicContact CG2-CB 3.68Å; S1229-A1233 VanDerWaalsContact O-CB 3.24Å; S1229-A1233 WeakPolarHBondContact O-CB 3.42Å; S1229-A1233 PolarHBondContact O-N 2.84Å |
| 1234 | I | 71.9 | Confident | 71 | Confident | 7 Ų | 7 | 62.4 Ų | 62.4 | 4% | 0.036 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -85.4 | -28.1 | 175.8 | -69 | 168.3 | 0 | 0 | 0 | 112.1 | L1230 Q1232 S1241 H1246 C1249 I1265 | L1230-I1234 HydrophobicContact CD1-CD1 3.52Å; L1230-I1234 HydrophobicContact CD1-CG1 4.47Å; L1230-I1234 HydrophobicContact CG-CD1 3.96Å; L1230-I1234 WeakPolarHBondContact O-CB 3.25Å; L1230-I1234 WeakPolarHBondContact O-CG1 3.19Å; L1230-I1234 PolarHBondContact O-N 3.35Å; L1230-I1234 VanDerWaalsContact O-N 3.15Å; Q1232-I1234 VanDerWaalsContact C-N 3.28Å; Q1232-I1234 PolarHBondContact O-N 3.36Å; I1234-S1241 PolarHBondContact O-OG 3.12Å; I1234-H1246 HydrophobicContact CG2-CB 4.16Å; I1234-C1249 HydrophobicContact CG2-CB 4.48Å; I1234-I1265 HydrophobicContact CD1-CD1 4.19Å |
| 1235 | G | 67.5 | Low | 71.2 | Confident | 39 Ų | 39 | 59.8 Ų | 59.8 | 40% | 0.402 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -86.7 | -11.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | T1231 Q1232 D1237 | T1231-G1235 PolarHBondContact O-N 3.47Å; T1231-G1235 VanDerWaalsContact O-N 3.08Å; Q1232-G1235 PolarHBondContact O-N 3.26Å; Q1232-G1235 VanDerWaalsContact O-N 3.16Å; G1235-D1237 PolarHBondContact O-N 2.88Å; G1235-D1237 VanDerWaalsContact O-N 3.13Å |
| 1236 | D | 60.9 | Low | 71.3 | Confident | 93 Ų | 93 | 59.1 Ų | 59.1 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | trans | -74.5 | 96.3 | 172.4 | -88.3 | -34.4 | 0 | 0 | 0 | 110.7 | Q1232 K1238 K1239 | Q1232-D1236 PolarHBondContact O-N 2.84Å; D1236-K1238 PolarHBondContact O-N 3.12Å; D1236-K1239 PolarHBondContact O-N 2.83Å | ||
| 1237 | D | 56 | Low | 71.3 | Confident | 155 Ų | 155 | 60.7 Ų | 60.7 | 83% | 0.829 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.8 | -12.9 | 179 | -77.4 | -39.5 | 0 | 0 | 0 | 116.2 | G1235 | G1235-D1237 PolarHBondContact O-N 2.88Å; G1235-D1237 VanDerWaalsContact O-N 3.13Å |
| 1238 | K | 57.7 | Low | 71.4 | Confident | 210 Ų | 210 | 60.1 Ų | 60.1 | 91% | 0.913 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -13.9 | 177.9 | -68.4 | -179.6 | 179.8 | 173.6 | 0 | 114.1 | D1236 | D1236-K1238 PolarHBondContact O-N 3.12Š|
| 1239 | K | 54.2 | Low | 71.4 | Confident | 86 Ų | 86 | 56.6 Ų | 56.6 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -92.9 | 142.2 | 170 | -87.6 | -173.7 | 171.7 | 178.9 | 0 | 110.3 | D1194 D1236 S1241 | D1194-K1239 IonicContact OD1-NZ 2.75Å; D1194-K1239 PolarHBondContact OD1-NZ 3.26Å; D1236-K1239 PolarHBondContact O-N 2.83Å; K1239-S1241 PolarHBondContact O-N 3.22Å |
| 1240 | S | 53.7 | Low | 71.4 | Confident | 115 Ų | 115 | 56.7 Ų | 56.7 | 80% | 0.804 | 31% | 0.313 | S | S | * | . | trans | -79.4 | 57.6 | 176.9 | 60.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1241 | S | 58.8 | Low | 71.4 | Confident | 27 Ų | 27 | 56.6 Ų | 56.6 | 19% | 0.189 | 31% | 0.313 | C | S | . | . | trans | -67.7 | 156.1 | -177.3 | 71.6 | 0 | 0 | 0 | 0 | 111.7 | D1197 I1234 K1239 | D1197-S1241 WeakPolarHBondContact OD1-CA 3.42Å; I1234-S1241 PolarHBondContact O-OG 3.12Å; K1239-S1241 PolarHBondContact O-N 3.22Å | ||
| 1242 | S | 67.4 | Low | 71.3 | Confident | 29 Ų | 29 | 55.3 Ų | 55.3 | 20% | 0.203 | 31% | 0.305 | C | S | . | . | trans | -62.4 | 124.9 | 175.7 | 137.5 | 0 | 0 | 0 | 0 | 110.1 | V1244 Y1245 H1246 | S1242-V1244 PolarHBondContact O-N 3.44Å; S1242-V1244 PolarHBondContact OG-N 2.96Å; S1242-Y1245 VanDerWaalsContact CB-CD2 3.46Å; S1242-Y1245 PolarHBondContact O-N 2.91Å; S1242-Y1245 WeakPolarHBondContact OG-CD2 3.35Å; S1242-Y1245 PolarHBondContact OG-N 3.08Å; S1242-H1246 PolarHBondContact O-N 3.43Å | ||
| 1243 | P | 72.6 | Confident | 71.2 | Confident | 102 Ų | 102 | 54.1 Ų | 54.1 | 66% | 0.662 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -65.5 | -13.2 | -177.6 | 26.6 | -35.4 | 0 | 0 | 0 | 112.8 | E1247 | P1243-E1247 PolarHBondContact O-N 3.39Å |
| 1244 | V | 77.8 | Confident | 71.2 | Confident | 11 Ų | 11 | 58.5 Ų | 58.5 | 7% | 0.067 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -73.4 | -39.9 | 172.3 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | S1242 E1247 L1248 K1336 L1337 A1340 | S1242-V1244 PolarHBondContact O-N 3.44Å; S1242-V1244 PolarHBondContact OG-N 2.96Å; V1244-E1247 PolarHBondContact O-N 2.73Å; V1244-L1248 HydrophobicContact CG1-CD1 3.94Å; V1244-L1248 WeakPolarHBondContact O-CD1 3.49Å; V1244-L1248 VanDerWaalsContact O-CG 3.29Å; V1244-L1248 WeakPolarHBondContact O-CG 3.31Å; V1244-L1248 PolarHBondContact O-N 3.4Å; V1244-K1336 HydrophobicContact CG2-CB 3.76Å; V1244-L1337 HydrophobicContact CG1-CD1 4.16Å; V1244-L1337 HydrophobicContact CG2-CB 4.43Å; V1244-A1340 HydrophobicContact CG1-CB 3.35Å |
| 1245 | Y | 80.4 | Confident | 71.1 | Confident | 8 Ų | 8 | 58.4 Ų | 58.4 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -76 | -38.7 | -177.2 | -51.6 | -24.6 | 0 | 0 | 0 | 111.1 | L1196 Q1204 S1242 E1247 L1248 C1249 I1269 | L1196-Y1245 HydrophobicContact CB-CD2 4.25Å; L1196-Y1245 HydrophobicContact CB-CE2 3.87Å; L1196-Y1245 WeakPolarHBondContact O-CE2 3.48Å; Q1204-Y1245 PolarHBondContact NE2-OH 3.05Å; Q1204-Y1245 PolarHBondContact OE1-OH 2.74Å; S1242-Y1245 VanDerWaalsContact CB-CD2 3.46Å; S1242-Y1245 PolarHBondContact O-N 2.91Å; S1242-Y1245 WeakPolarHBondContact OG-CD2 3.35Å; S1242-Y1245 PolarHBondContact OG-N 3.08Å; Y1245-E1247 VanDerWaalsContact C-N 3.33Å; Y1245-E1247 PolarHBondContact O-N 3.25Å; Y1245-L1248 HydrophobicContact CD1-CD1 4.41Å; Y1245-L1248 PolarHBondContact O-N 3.17Å; Y1245-L1248 VanDerWaalsContact O-N 3.12Å; Y1245-C1249 WeakPolarHBondContact O-CB 3.4Å; Y1245-C1249 PolarHBondContact O-N 3.31Å; Y1245-C1249 PolarHBondContact O-SG 3.03Å; Y1245-I1269 HydrophobicContact CE1-CD1 3.55Å; Y1245-I1269 HydrophobicContact CE1-CG1 4.22Å; Y1245-I1269 WeakPolarHBondContact OH-CD1 3.36Å |
| 1246 | H | 80.2 | Confident | 71.3 | Confident | 70 Ų | 70 | 59.2 Ų | 59.2 | 32% | 0.324 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.7 | -43.7 | 170.7 | -173.5 | -95 | 0 | 0 | 0 | 111.9 | I1234 S1242 L1248 T1250 | I1234-H1246 HydrophobicContact CG2-CB 4.16Å; S1242-H1246 PolarHBondContact O-N 3.43Å; H1246-L1248 PolarHBondContact O-N 2.93Å; H1246-T1250 WeakPolarHBondContact O-CB 2.92Å; H1246-T1250 WeakPolarHBondContact O-CG2 3.28Å; H1246-T1250 PolarHBondContact O-N 2.64Å; H1246-T1250 PolarHBondContact O-OG1 3.42Å |
| 1247 | E | 80.9 | Confident | 71.9 | Confident | 33 Ų | 33 | 59.1 Ų | 59.1 | 15% | 0.154 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.8 | -36.8 | 172.7 | -86.7 | -81.8 | 158.2 | 0 | 0 | 113.5 | P1243 V1244 Y1245 T1250 L1251 R1328 R1334 L1337 | P1243-E1247 PolarHBondContact O-N 3.39Å; V1244-E1247 PolarHBondContact O-N 2.73Å; Y1245-E1247 VanDerWaalsContact C-N 3.33Å; Y1245-E1247 PolarHBondContact O-N 3.25Å; E1247-T1250 WeakPolarHBondContact CA-OG1 3.31Å; E1247-T1250 PolarHBondContact O-OG1 2.81Å; E1247-L1251 WeakPolarHBondContact O-CB 3.31Å; E1247-L1251 PolarHBondContact O-N 3.44Å; E1247-R1328 IonicContact OE2-CZ 2.74Å; E1247-R1328 IonicContact OE2-NE 3.4Å; E1247-R1328 PolarHBondContact OE2-NE 2.88Å; E1247-R1328 IonicContact OE2-NH2 3.06Å; E1247-R1328 PolarHBondContact OE2-NH2 3.1Å; E1247-R1334 IonicContact OE1-CZ 2.73Å; E1247-R1334 IonicContact OE1-NH1 3.72Å; E1247-R1334 PolarHBondContact OE1-NH1 3.4Å; E1247-R1334 IonicContact OE1-NH2 3.71Å; E1247-R1334 PolarHBondContact OE1-NH2 3.2Å; E1247-R1334 IonicContact OE2-NH1 2.61Å; E1247-R1334 IonicContact OE2-NH2 3.92Å; E1247-L1337 HydrophobicContact CB-CD1 3.6Å; E1247-L1337 HydrophobicContact CB-CD2 4.12Å; E1247-L1337 HydrophobicContact CG-CD1 4.21Å; E1247-L1337 HydrophobicContact CG-CD2 3.83Å |
| 1248 | L | 81.2 | Confident | 72.7 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.1 | -41 | 177.3 | -71.4 | 161 | 0 | 0 | 0 | 112.2 | V1244 Y1245 H1246 L1251 A1252 L1264 I1265 A1268 M1341 V1344 | V1244-L1248 HydrophobicContact CG1-CD1 3.94Å; V1244-L1248 WeakPolarHBondContact O-CD1 3.49Å; V1244-L1248 VanDerWaalsContact O-CG 3.29Å; V1244-L1248 WeakPolarHBondContact O-CG 3.31Å; V1244-L1248 PolarHBondContact O-N 3.4Å; Y1245-L1248 HydrophobicContact CD1-CD1 4.41Å; Y1245-L1248 PolarHBondContact O-N 3.17Å; Y1245-L1248 VanDerWaalsContact O-N 3.12Å; H1246-L1248 PolarHBondContact O-N 2.93Å; L1248-L1251 PolarHBondContact O-N 3.38Å; L1248-A1252 PolarHBondContact O-N 2.92Å; L1248-L1264 HydrophobicContact CD2-CB 3.96Å; L1248-I1265 HydrophobicContact CB-CG1 4.06Å; L1248-I1265 HydrophobicContact CD1-CG1 3.94Å; L1248-A1268 HydrophobicContact CD1-CB 3.72Å; L1248-M1341 HydrophobicContact CD2-CE 3.42Å; L1248-M1341 VanDerWaalsContact CD2-CE 3.42Å; L1248-M1341 HydrophobicContact CD2-SD 4.26Å; L1248-M1341 HydrophobicContact CG-CE 4.05Å; L1248-V1344 HydrophobicContact CD2-CG2 4.23Å |
| 1249 | C | 82 | Confident | 73.3 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.034 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.6 | -46.5 | 174.8 | -73.3 | 0 | 0 | 0 | 0 | 111.8 | I1234 Y1245 L1251 A1252 Q1253 | I1234-C1249 HydrophobicContact CG2-CB 4.48Å; Y1245-C1249 WeakPolarHBondContact O-CB 3.4Å; Y1245-C1249 PolarHBondContact O-N 3.31Å; Y1245-C1249 PolarHBondContact O-SG 3.03Å; C1249-L1251 VanDerWaalsContact C-N 3.33Å; C1249-L1251 PolarHBondContact O-N 3.21Å; C1249-A1252 WeakPolarHBondContact O-CB 3.33Å; C1249-A1252 PolarHBondContact O-N 3.21Å; C1249-Q1253 WeakPolarHBondContact O-CG 3.25Å; C1249-Q1253 PolarHBondContact O-N 3.19Å |
| 1250 | T | 80.8 | Confident | 74.4 | Confident | 30 Ų | 30 | 42.5 Ų | 42.5 | 18% | 0.184 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.8 | -31.7 | 175.8 | 51.8 | 0 | 0 | 0 | 0 | 112.3 | H1246 E1247 Q1253 Q1254 | H1246-T1250 WeakPolarHBondContact O-CB 2.92Å; H1246-T1250 WeakPolarHBondContact O-CG2 3.28Å; H1246-T1250 PolarHBondContact O-N 2.64Å; H1246-T1250 PolarHBondContact O-OG1 3.42Å; E1247-T1250 WeakPolarHBondContact CA-OG1 3.31Å; E1247-T1250 PolarHBondContact O-OG1 2.81Å; T1250-Q1253 PolarHBondContact O-N 3.32Å; T1250-Q1254 WeakPolarHBondContact O-CB 3.5Å; T1250-Q1254 WeakPolarHBondContact O-CG 3.48Å; T1250-Q1254 PolarHBondContact O-N 2.91Å |
| 1251 | L | 80 | Confident | 75.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.1 | -42.2 | 171.9 | -159.4 | 171.6 | 0 | 0 | 0 | 111.5 | E1247 L1248 C1249 Q1254 I1255 L1264 L1321 R1324 M1341 | E1247-L1251 WeakPolarHBondContact O-CB 3.31Å; E1247-L1251 PolarHBondContact O-N 3.44Å; L1248-L1251 PolarHBondContact O-N 3.38Å; C1249-L1251 VanDerWaalsContact C-N 3.33Å; C1249-L1251 PolarHBondContact O-N 3.21Å; L1251-Q1254 WeakPolarHBondContact O-CB 3.41Å; L1251-Q1254 PolarHBondContact O-N 2.95Å; L1251-I1255 HydrophobicContact CD2-CD1 3.47Å; L1251-I1255 VanDerWaalsContact CD2-CD1 3.47Å; L1251-I1255 HydrophobicContact CD2-CG1 4.09Å; L1251-I1255 WeakPolarHBondContact O-CG1 3.44Å; L1251-I1255 PolarHBondContact O-N 3.36Å; L1251-I1255 VanDerWaalsContact O-N 3.09Å; L1251-L1264 HydrophobicContact CD2-CD1 4.38Å; L1251-L1321 HydrophobicContact CD2-CD1 3.75Å; L1251-R1324 HydrophobicContact CD1-CB 4.37Å; L1251-R1324 HydrophobicContact CD2-CB 3.99Å; L1251-R1324 HydrophobicContact CG-CB 4.3Å; L1251-M1341 HydrophobicContact CD1-CE 3.6Å; L1251-M1341 HydrophobicContact CD1-SD 3.98Å |
| 1252 | A | 78.7 | Confident | 76.7 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.7 | -43.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1248 C1249 I1255 R1257 A1261 L1264 | L1248-A1252 PolarHBondContact O-N 2.92Å; C1249-A1252 WeakPolarHBondContact O-CB 3.33Å; C1249-A1252 PolarHBondContact O-N 3.21Å; A1252-I1255 PolarHBondContact O-N 3.09Å; A1252-R1257 CarbonylContact C-O 3.55Å; A1252-R1257 CarbonylContact O-C 3.59Å; A1252-R1257 VanDerWaalsContact O-C 3.24Å; A1252-R1257 PolarHBondContact O-N 2.87Å; A1252-R1257 VanDerWaalsContact O-N 3.16Å; A1252-A1261 HydrophobicContact CB-CB 3.81Å; A1252-L1264 HydrophobicContact CB-CD1 4.29Å |
| 1253 | Q | 79.5 | Confident | 77.2 | Confident | 104 Ų | 104 | 34.4 Ų | 34.4 | 49% | 0.486 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61 | -44.8 | 171.8 | -69.4 | 169.6 | -16.5 | 0 | 0 | 111.8 | C1249 T1250 I1255 G1256 P1258 | C1249-Q1253 WeakPolarHBondContact O-CG 3.25Å; C1249-Q1253 PolarHBondContact O-N 3.19Å; T1250-Q1253 PolarHBondContact O-N 3.32Å; Q1253-I1255 PolarHBondContact O-N 3.35Å; Q1253-I1255 VanDerWaalsContact O-N 3.17Å; Q1253-G1256 PolarHBondContact O-N 3.29Å; Q1253-P1258 HydrophobicContact CG-CB 4.41Å |
| 1254 | Q | 72.7 | Confident | 77.5 | Confident | 104 Ų | 104 | 29.6 Ų | 29.6 | 49% | 0.486 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.2 | -18.6 | 176.2 | -77 | 171.2 | 7.8 | 0 | 0 | 114.5 | T1250 L1251 R1324 | T1250-Q1254 WeakPolarHBondContact O-CB 3.5Å; T1250-Q1254 WeakPolarHBondContact O-CG 3.48Å; T1250-Q1254 PolarHBondContact O-N 2.91Å; L1251-Q1254 WeakPolarHBondContact O-CB 3.41Å; L1251-Q1254 PolarHBondContact O-N 2.95Å; Q1254-R1324 PolarHBondContact O-NH2 3.4Å |
| 1255 | I | 69.5 | Low | 77.6 | Confident | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -81.3 | -21 | 173.1 | -73.4 | 164.6 | 0 | 0 | 0 | 111.4 | L1251 A1252 Q1253 R1257 A1317 R1320 L1321 | L1251-I1255 HydrophobicContact CD2-CD1 3.47Å; L1251-I1255 VanDerWaalsContact CD2-CD1 3.47Å; L1251-I1255 HydrophobicContact CD2-CG1 4.09Å; L1251-I1255 WeakPolarHBondContact O-CG1 3.44Å; L1251-I1255 PolarHBondContact O-N 3.36Å; L1251-I1255 VanDerWaalsContact O-N 3.09Å; A1252-I1255 PolarHBondContact O-N 3.09Å; Q1253-I1255 PolarHBondContact O-N 3.35Å; Q1253-I1255 VanDerWaalsContact O-N 3.17Å; I1255-R1257 HydrophobicContact CG2-CB 4.01Å; I1255-A1317 HydrophobicContact CG2-CB 4.32Å; I1255-R1320 HydrophobicContact CB-CB 4.47Å; I1255-R1320 HydrophobicContact CG1-CB 4.17Å; I1255-R1320 HydrophobicContact CG2-CB 3.89Å; I1255-R1320 WeakPolarHBondContact O-CD 3.46Å; I1255-R1320 PolarHBondContact O-NH1 3.05Å; I1255-L1321 HydrophobicContact CD1-CB 3.79Å; I1255-L1321 HydrophobicContact CD1-CD1 3.62Å; I1255-L1321 HydrophobicContact CD1-CG 4.31Å |
| 1256 | G | 72.5 | Confident | 77.5 | Confident | 56 Ų | 56 | 28.8 Ų | 28.8 | 58% | 0.577 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | 21.9 | -165 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q1253 | Q1253-G1256 PolarHBondContact O-N 3.29Š|
| 1257 | R | 74 | Confident | 77.2 | Confident | 91 Ų | 91 | 25.6 Ų | 25.6 | 34% | 0.343 | 14% | 0.14 | S | C | . | . | trans | -140.3 | 78.4 | 178.1 | -85.7 | -160.1 | 175.9 | -133.3 | 7.1 | 111.4 | A1252 I1255 D1259 L1260 | A1252-R1257 CarbonylContact C-O 3.55Å; A1252-R1257 CarbonylContact O-C 3.59Å; A1252-R1257 VanDerWaalsContact O-C 3.24Å; A1252-R1257 PolarHBondContact O-N 2.87Å; A1252-R1257 VanDerWaalsContact O-N 3.16Å; I1255-R1257 HydrophobicContact CG2-CB 4.01Å; R1257-D1259 WeakPolarHBondContact CA-OD1 3.46Å; R1257-D1259 WeakPolarHBondContact CB-OD1 3.4Å; R1257-D1259 WeakPolarHBondContact CD-OD2 3.28Å; R1257-D1259 VanDerWaalsContact CG-OD1 3.28Å; R1257-D1259 WeakPolarHBondContact CG-OD1 3.48Å; R1257-D1259 IonicContact CZ-OD2 3.92Å; R1257-D1259 IonicContact NH1-OD2 3.89Å; R1257-D1259 PolarHBondContact NH1-OD2 3.21Å; R1257-D1259 VanDerWaalsContact NH1-OD2 3.08Å; R1257-D1259 PolarHBondContact O-N 3.19Å; R1257-L1260 HydrophobicContact CB-CD1 3.84Å; R1257-L1260 HydrophobicContact CB-CG 4.1Å; R1257-L1260 PolarHBondContact O-N 3.29Å | ||
| 1258 | P | 72.1 | Confident | 76.9 | Confident | 61 Ų | 61 | 24.2 Ų | 24.2 | 40% | 0.396 | 14% | 0.135 | S | C | . | . | G | 310 helix | trans | -61.8 | -21 | 174.5 | 28.4 | -35 | 0 | 0 | 0 | 112.1 | I1227 Q1253 L1260 A1261 | I1227-P1258 VanDerWaalsContact CG2-O 3.31Å; I1227-P1258 WeakPolarHBondContact CG2-O 3.2Å; Q1253-P1258 HydrophobicContact CG-CB 4.41Å; P1258-L1260 PolarHBondContact O-N 3.37Å; P1258-A1261 VanDerWaalsContact O-CB 3.32Å; P1258-A1261 WeakPolarHBondContact O-CB 3.48Å; P1258-A1261 PolarHBondContact O-N 3.18Å |
| 1259 | D | 71.1 | Confident | 76.2 | Confident | 42 Ų | 42 | 25 Ų | 25 | 23% | 0.225 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -53.8 | -23.4 | 173.1 | 52.8 | -62.4 | 0 | 0 | 0 | 114.2 | Y1215 I1227 R1257 | Y1215-D1259 PolarHBondContact OH-O 3.15Å; I1227-D1259 HydrophobicContact CD1-CB 3.99Å; R1257-D1259 WeakPolarHBondContact CA-OD1 3.46Å; R1257-D1259 WeakPolarHBondContact CB-OD1 3.4Å; R1257-D1259 WeakPolarHBondContact CD-OD2 3.28Å; R1257-D1259 VanDerWaalsContact CG-OD1 3.28Å; R1257-D1259 WeakPolarHBondContact CG-OD1 3.48Å; R1257-D1259 IonicContact CZ-OD2 3.92Å; R1257-D1259 IonicContact NH1-OD2 3.89Å; R1257-D1259 PolarHBondContact NH1-OD2 3.21Å; R1257-D1259 VanDerWaalsContact NH1-OD2 3.08Å; R1257-D1259 PolarHBondContact O-N 3.19Å |
| 1260 | L | 76.7 | Confident | 75.1 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -90.4 | -6.9 | -179.4 | -60.2 | 174.9 | 0 | 0 | 0 | 114 | R1257 P1258 L1262 S1263 L1264 L1314 A1317 | R1257-L1260 HydrophobicContact CB-CD1 3.84Å; R1257-L1260 HydrophobicContact CB-CG 4.1Å; R1257-L1260 PolarHBondContact O-N 3.29Å; P1258-L1260 PolarHBondContact O-N 3.37Å; L1260-L1262 PolarHBondContact O-N 3.42Å; L1260-S1263 CarbonylContact O-C 3.41Å; L1260-S1263 WeakPolarHBondContact O-CA 3.41Å; L1260-S1263 WeakPolarHBondContact O-CB 3.26Å; L1260-S1263 PolarHBondContact O-N 2.99Å; L1260-L1264 WeakPolarHBondContact O-CG 3.34Å; L1260-L1264 PolarHBondContact O-N 3.16Å; L1260-L1314 HydrophobicContact CD2-CD1 3.96Å; L1260-L1314 HydrophobicContact CD2-CG 4.25Å; L1260-A1317 HydrophobicContact CD1-CB 3.22Å |
| 1261 | A | 81.1 | Confident | 73.8 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -54.7 | -50.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1231 A1252 P1258 S1263 L1264 I1265 | T1231-A1261 HydrophobicContact CG2-CB 4.12Å; A1252-A1261 HydrophobicContact CB-CB 3.81Å; P1258-A1261 VanDerWaalsContact O-CB 3.32Å; P1258-A1261 WeakPolarHBondContact O-CB 3.48Å; P1258-A1261 PolarHBondContact O-N 3.18Å; A1261-S1263 PolarHBondContact O-N 2.94Å; A1261-L1264 PolarHBondContact O-N 3.48Å; A1261-I1265 WeakPolarHBondContact O-CG1 3.28Å; A1261-I1265 PolarHBondContact O-N 2.9Å; A1261-I1265 VanDerWaalsContact O-N 3.16Å |
| 1262 | L | 80.4 | Confident | 72.1 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.9 | -44.8 | 175.2 | 178.5 | 51.8 | 0 | 0 | 0 | 111.3 | L1211 Y1215 L1226 L1230 L1260 L1264 I1265 V1266 | L1211-L1262 HydrophobicContact CB-CD1 3.82Å; L1211-L1262 HydrophobicContact CB-CD2 4.3Å; Y1215-L1262 HydrophobicContact CD2-CD2 4.16Å; Y1215-L1262 HydrophobicContact CG-CD2 4.16Å; L1226-L1262 HydrophobicContact CD2-CD2 3.74Å; L1226-L1262 HydrophobicContact CG-CD2 4.19Å; L1230-L1262 HydrophobicContact CD2-CB 3.62Å; L1230-L1262 HydrophobicContact CD2-CD1 4.07Å; L1230-L1262 HydrophobicContact CD2-CG 4.31Å; L1260-L1262 PolarHBondContact O-N 3.42Å; L1262-L1264 PolarHBondContact O-N 3.37Å; L1262-I1265 PolarHBondContact O-N 3.16Å; L1262-V1266 HydrophobicContact CD1-CG2 3.96Å; L1262-V1266 HydrophobicContact CG-CG2 4.36Å; L1262-V1266 WeakPolarHBondContact O-CA 3.39Å; L1262-V1266 WeakPolarHBondContact O-CG2 3.47Å; L1262-V1266 PolarHBondContact O-N 2.88Å |
| 1263 | S | 77.8 | Confident | 70.2 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.6 | -32 | 179.9 | -52.1 | 0 | 0 | 0 | 0 | 113 | L1260 A1261 V1266 L1267 | L1260-S1263 CarbonylContact O-C 3.41Å; L1260-S1263 WeakPolarHBondContact O-CA 3.41Å; L1260-S1263 WeakPolarHBondContact O-CB 3.26Å; L1260-S1263 PolarHBondContact O-N 2.99Å; A1261-S1263 PolarHBondContact O-N 2.94Å; S1263-V1266 WeakPolarHBondContact O-CA 3.38Å; S1263-L1267 WeakPolarHBondContact O-CG 3.03Å; S1263-L1267 PolarHBondContact O-N 3.32Å |
| 1264 | L | 79.3 | Confident | 68 | Low | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -73.9 | -40.4 | 172.5 | -62.4 | -179.7 | 0 | 0 | 0 | 112.3 | L1248 L1251 A1252 L1260 A1261 L1262 L1267 A1268 L1314 L1321 V1344 | L1248-L1264 HydrophobicContact CD2-CB 3.96Å; L1251-L1264 HydrophobicContact CD2-CD1 4.38Å; A1252-L1264 HydrophobicContact CB-CD1 4.29Å; L1260-L1264 WeakPolarHBondContact O-CG 3.34Å; L1260-L1264 PolarHBondContact O-N 3.16Å; A1261-L1264 PolarHBondContact O-N 3.48Å; L1262-L1264 PolarHBondContact O-N 3.37Å; L1264-L1267 PolarHBondContact O-N 3.18Å; L1264-A1268 VanDerWaalsContact O-CB 3.26Å; L1264-A1268 WeakPolarHBondContact O-CB 3.18Å; L1264-A1268 PolarHBondContact O-N 2.91Å; L1264-L1314 HydrophobicContact CD2-CD2 4.19Å; L1264-L1321 HydrophobicContact CD1-CD1 3.93Å; L1264-L1321 HydrophobicContact CD2-CD1 3.57Å; L1264-L1321 HydrophobicContact CD2-CD2 3.68Å; L1264-L1321 HydrophobicContact CD2-CG 4.26Å; L1264-L1321 HydrophobicContact CG-CD1 4.41Å; L1264-V1344 HydrophobicContact CD2-CG1 4.15Å; L1264-V1344 WeakPolarHBondContact O-CG2 3.47Å |
| 1265 | I | 79.8 | Confident | 66 | Low | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.9 | -50.9 | 176.6 | -68 | 164.7 | 0 | 0 | 0 | 111.2 | V1208 L1230 I1234 L1248 A1261 L1262 L1267 A1268 I1269 | V1208-I1265 HydrophobicContact CG1-CG2 4.22Å; V1208-I1265 HydrophobicContact CG2-CG2 4.25Å; L1230-I1265 HydrophobicContact CD2-CD1 4.23Å; I1234-I1265 HydrophobicContact CD1-CD1 4.19Å; L1248-I1265 HydrophobicContact CB-CG1 4.06Å; L1248-I1265 HydrophobicContact CD1-CG1 3.94Å; A1261-I1265 WeakPolarHBondContact O-CG1 3.28Å; A1261-I1265 PolarHBondContact O-N 2.9Å; A1261-I1265 VanDerWaalsContact O-N 3.16Å; L1262-I1265 PolarHBondContact O-N 3.16Å; I1265-L1267 PolarHBondContact O-N 3.42Å; I1265-A1268 WeakPolarHBondContact O-CB 3.17Å; I1265-A1268 PolarHBondContact O-N 3.39Å; I1265-A1268 VanDerWaalsContact O-N 3.16Å; I1265-I1269 HydrophobicContact CG2-CD1 3.71Å; I1265-I1269 PolarHBondContact O-N 3.43Å |
| 1266 | V | 76.7 | Confident | 63.9 | Low | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | 8.6 | -96.7 | 133.3 | -125.8 | 0 | 0 | 0 | 0 | 118 | V1208 L1262 S1263 A1268 A1270 L1306 L1310 | V1208-V1266 HydrophobicContact CG1-CB 3.99Å; V1208-V1266 HydrophobicContact CG1-CG1 4.04Å; V1208-V1266 HydrophobicContact CG1-CG2 3.69Å; V1208-V1266 WeakPolarHBondContact O-CG2 3.33Å; L1262-V1266 HydrophobicContact CD1-CG2 3.96Å; L1262-V1266 HydrophobicContact CG-CG2 4.36Å; L1262-V1266 WeakPolarHBondContact O-CA 3.39Å; L1262-V1266 WeakPolarHBondContact O-CG2 3.47Å; L1262-V1266 PolarHBondContact O-N 2.88Å; S1263-V1266 WeakPolarHBondContact O-CA 3.38Å; V1266-A1268 VanDerWaalsContact C-N 3.26Å; V1266-A1268 PolarHBondContact O-N 2.92Å; V1266-A1270 WeakPolarHBondContact O-CB 3.49Å; V1266-A1270 PolarHBondContact O-N 2.96Å; V1266-L1306 HydrophobicContact CB-CD2 4.39Å; V1266-L1306 HydrophobicContact CG1-CD2 3.66Å; V1266-L1310 HydrophobicContact CB-CD1 4.01Å; V1266-L1310 HydrophobicContact CG1-CD1 4.49Å |
| 1267 | L | 74.5 | Confident | 61.6 | Low | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71.9 | -20.8 | -174.2 | -53.5 | 165.3 | 0 | 0 | 0 | 111.8 | S1263 L1264 I1265 Y1303 V1307 L1314 N1343 V1344 | S1263-L1267 WeakPolarHBondContact O-CG 3.03Å; S1263-L1267 PolarHBondContact O-N 3.32Å; L1264-L1267 PolarHBondContact O-N 3.18Å; I1265-L1267 PolarHBondContact O-N 3.42Å; L1267-Y1303 HydrophobicContact CD2-CE2 4.31Å; L1267-V1307 HydrophobicContact CD2-CG2 3.82Å; L1267-L1314 HydrophobicContact CD1-CD2 3.66Å; L1267-N1343 CarbonylContact O-C 3.54Å; L1267-N1343 VanDerWaalsContact O-CB 3.3Å; L1267-N1343 WeakPolarHBondContact O-CB 3.36Å; L1267-N1343 VanDerWaalsContact O-O 3.08Å; L1267-V1344 HydrophobicContact CB-CB 4.37Å; L1267-V1344 HydrophobicContact CB-CG1 4.47Å; L1267-V1344 HydrophobicContact CB-CG2 4.25Å; L1267-V1344 PolarHBondContact O-N 3.44Å |
| 1268 | A | 74.3 | Confident | 59.2 | Low | 4 Ų | 4 | 41.1 Ų | 41.1 | 3% | 0.033 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.5 | -32 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L1248 L1264 I1265 V1266 A1340 N1343 V1344 | L1248-A1268 HydrophobicContact CD1-CB 3.72Å; L1264-A1268 VanDerWaalsContact O-CB 3.26Å; L1264-A1268 WeakPolarHBondContact O-CB 3.18Å; L1264-A1268 PolarHBondContact O-N 2.91Å; I1265-A1268 WeakPolarHBondContact O-CB 3.17Å; I1265-A1268 PolarHBondContact O-N 3.39Å; I1265-A1268 VanDerWaalsContact O-N 3.16Å; V1266-A1268 VanDerWaalsContact C-N 3.26Å; V1266-A1268 PolarHBondContact O-N 2.92Å; A1268-A1340 WeakPolarHBondContact CA-O 3.44Å; A1268-A1340 HydrophobicContact CB-CB 3.96Å; A1268-N1343 WeakPolarHBondContact O-CB 3.18Å; A1268-N1343 PolarHBondContact O-ND2 3.12Å; A1268-V1344 HydrophobicContact CB-CG2 3.73Å |
| 1269 | I | 68 | Low | 56.9 | Low | 17 Ų | 17 | 44 Ų | 44 | 9% | 0.087 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -108.5 | -28.8 | -170.7 | -61.7 | 162.2 | 0 | 0 | 0 | 111.9 | Q1204 V1208 Y1245 I1265 L1271 | Q1204-I1269 HydrophobicContact CB-CG2 4.3Å; V1208-I1269 HydrophobicContact CB-CD1 4.37Å; V1208-I1269 HydrophobicContact CG1-CB 4.29Å; V1208-I1269 HydrophobicContact CG1-CD1 4.18Å; V1208-I1269 HydrophobicContact CG2-CD1 3.59Å; Y1245-I1269 HydrophobicContact CE1-CD1 3.55Å; Y1245-I1269 HydrophobicContact CE1-CG1 4.22Å; Y1245-I1269 WeakPolarHBondContact OH-CD1 3.36Å; I1265-I1269 HydrophobicContact CG2-CD1 3.71Å; I1265-I1269 PolarHBondContact O-N 3.43Å; I1269-L1271 PolarHBondContact O-N 3.41Å |
| 1270 | A | 58.8 | Low | 54.7 | Low | 11 Ų | 11 | 46.2 Ų | 46.2 | 9% | 0.091 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -69 | 94.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1266 P1272 Y1303 | V1266-A1270 WeakPolarHBondContact O-CB 3.49Å; V1266-A1270 PolarHBondContact O-N 2.96Å; A1270-P1272 WeakPolarHBondContact O-CD 3.36Å; A1270-Y1303 HydrophobicContact CB-CD2 3.37Å; A1270-Y1303 HydrophobicContact CB-CE2 3.44Å; A1270-Y1303 VanDerWaalsContact CB-CE2 3.44Å; A1270-Y1303 HydrophobicContact CB-CG 4.22Å |
| 1271 | L | 52.5 | Low | 52.2 | Low | 88 Ų | 88 | 52.5 Ų | 52.5 | 46% | 0.461 | 31% | 0.307 | S | S | . | . | trans | -71.5 | 121.1 | -170.2 | -152.7 | 74.6 | 0 | 0 | 0 | 111.9 | I1269 S1273 | I1269-L1271 PolarHBondContact O-N 3.41Å; L1271-S1273 PolarHBondContact O-N 3.11Å | ||
| 1272 | P | 45.3 | Very low | 49.4 | Very low | 32 Ų | 32 | 56.2 Ų | 56.2 | 21% | 0.208 | 35% | 0.345 | C | S | . | . | trans | -63.7 | 124.3 | 170.2 | -21.8 | 35 | 0 | 0 | 0 | 109.9 | A1270 T1274 L1346 | A1270-P1272 WeakPolarHBondContact O-CD 3.36Å; P1272-T1274 PolarHBondContact O-N 3.21Å; P1272-L1346 HydrophobicContact CG-CB 3.98Å; P1272-L1346 HydrophobicContact CG-CD1 4.2Å | ||
| 1273 | S | 37.5 | Very low | 46.7 | Very low | 82 Ų | 82 | 61.1 Ų | 61.1 | 57% | 0.573 | 37% | 0.371 | S | S | * | . | trans | -70.4 | 102.4 | -171.8 | 46.1 | 0 | 0 | 0 | 0 | 111.7 | L1271 | L1271-S1273 PolarHBondContact O-N 3.11Š| ||
| 1274 | T | 34.5 | Very low | 44.2 | Very low | 66 Ų | 66 | 67.6 Ų | 67.6 | 41% | 0.405 | 41% | 0.413 | S | S | . | . | trans | -151.1 | 93.3 | 174.1 | -29.2 | 0 | 0 | 0 | 0 | 113.8 | P1272 R1276 P1392 | P1272-T1274 PolarHBondContact O-N 3.21Å; T1274-R1276 PolarHBondContact O-N 3.41Å; T1274-P1392 HydrophobicContact CG2-CB 3.69Å; T1274-P1392 HydrophobicContact CG2-CG 4.22Å; T1274-P1392 WeakPolarHBondContact O-CD 3.48Å | ||
| 1275 | S | 29.8 | Very low | 41.5 | Very low | 60 Ų | 60 | 75.5 Ų | 75.5 | 42% | 0.42 | 45% | 0.45 | S | S | . | . | trans | 34.6 | 74.2 | 143.9 | 174.2 | 0 | 0 | 0 | 0 | 117.7 | P1390 | S1275-P1390 WeakPolarHBondContact CB-O 3.25Å; S1275-P1390 CarbonylContact O-C 3.58Å; S1275-P1390 WeakPolarHBondContact OG-CD 3.29Å; S1275-P1390 PolarHBondContact OG-O 3.47Å | ||
| 1276 | R | 25.2 | Very low | 38.9 | Very low | 209 Ų | 209 | 80.1 Ų | 80.1 | 79% | 0.789 | 48% | 0.483 | S | S | * | . | trans | -112.5 | 105.8 | 146.7 | -89.7 | -177.7 | 170 | 163.2 | -1.6 | 107.8 | T1274 | T1274-R1276 PolarHBondContact O-N 3.41Š| ||
| 1277 | N | 24.6 | Very low | 36.5 | Very low | 124 Ų | 124 | 83.3 Ų | 83.3 | 66% | 0.663 | 52% | 0.516 | S | S | * | . | trans | -176.6 | 78.1 | 163.4 | -104.1 | -6.1 | 0 | 0 | 0 | 111.7 | S1389 | N1277-S1389 PolarHBondContact N-OG 3.45Š| ||
| 1278 | T | 24.1 | Very low | 34.3 | Very low | 61 Ų | 61 | 88.7 Ų | 88.7 | 37% | 0.374 | 55% | 0.545 | S | S | . | . | trans | -131.2 | 170.8 | 146.7 | 49.5 | 0 | 0 | 0 | 0 | 107.4 | S1388 S1389 | T1278-S1388 PolarHBondContact OG1-N 3.11Å; T1278-S1389 PolarHBondContact N-OG 3.15Å; T1278-S1389 PolarHBondContact OG1-N 3.4Å; T1278-S1389 PolarHBondContact OG1-OG 2.93Å | ||
| 1279 | N | 23.1 | Very low | 32.1 | Very low | 121 Ų | 121 | 91.9 Ų | 91.9 | 65% | 0.647 | 57% | 0.566 | S | S | * | * | S | Bend | trans | 78.4 | 42.3 | -179 | -47.7 | 13.1 | 0 | 0 | 0 | 114.2 | S1387 | N1279-S1387 VanDerWaalsContact OD1-CA 3.28Å; N1279-S1387 WeakPolarHBondContact OD1-CA 3.28Å; N1279-S1387 WeakPolarHBondContact OD1-CB 3.49Å |
| 1280 | A | 25 | Very low | 30.2 | Very low | 88 Ų | 88 | 99.6 Ų | 99.6 | 73% | 0.727 | 60% | 0.599 | S | S | * | * | trans | -132.2 | 25.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G1282 | A1280-G1282 PolarHBondContact O-N 3.14Š| ||
| 1281 | S | 24.2 | Very low | 29.3 | Very low | 133 Ų | 133 | 100.4 Ų | 100.4 | 93% | 0.93 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 77.1 | 172.6 | -165.8 | 0 | 0 | 0 | 0 | 109.4 | ||
| 1282 | G | 22.5 | Very low | 28.7 | Very low | 77 Ų | 77 | 100.2 Ų | 100.2 | 79% | 0.794 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -163.4 | -11 | -169.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | A1280 | A1280-G1282 PolarHBondContact O-N 3.14Š|
| 1283 | N | 22.9 | Very low | 28.5 | Very low | 104 Ų | 104 | 104.1 Ų | 104.1 | 56% | 0.556 | 62% | 0.622 | S | S | * | * | trans | -157.1 | 123.5 | 166.4 | -167.2 | -9.5 | 0 | 0 | 0 | 111.7 | Q1285 | N1283-Q1285 PolarHBondContact O-N 3.28Å; N1283-Q1285 PolarHBondContact OD1-N 3.44Å | ||
| 1284 | P | 25.2 | Very low | 28.9 | Very low | 137 Ų | 137 | 101.7 Ų | 101.7 | 89% | 0.89 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -68.3 | -5.2 | 173.1 | -21.5 | 34.7 | 0 | 0 | 0 | 115.7 | ||
| 1285 | Q | 22.6 | Very low | 29.6 | Very low | 166 Ų | 166 | 99 Ų | 99 | 78% | 0.776 | 59% | 0.589 | S | S | * | * | trans | -102.6 | 71.4 | -173.5 | -63.3 | -177.6 | -16.5 | 0 | 0 | 113.5 | N1283 | N1283-Q1285 PolarHBondContact O-N 3.28Å; N1283-Q1285 PolarHBondContact OD1-N 3.44Å | ||
| 1286 | S | 25.5 | Very low | 30.6 | Very low | 98 Ų | 98 | 98.2 Ų | 98.2 | 69% | 0.685 | 58% | 0.58 | S | S | * | * | trans | -161.2 | 117.6 | 161 | -176.1 | 0 | 0 | 0 | 0 | 111.8 | N1288 | S1286-N1288 PolarHBondContact O-N 3.01Š| ||
| 1287 | G | 27 | Very low | 31.6 | Very low | 69 Ų | 69 | 93.9 Ų | 93.9 | 71% | 0.711 | 57% | 0.572 | S | S | * | * | trans | -81.5 | -7.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116 | C1289 | G1287-C1289 VanDerWaalsContact C-N 3.26Å; G1287-C1289 PolarHBondContact O-N 3.05Å | ||
| 1288 | N | 26.8 | Very low | 32.6 | Very low | 115 Ų | 115 | 88.4 Ų | 88.4 | 62% | 0.615 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | 9.8 | -161.2 | -78.6 | 29.8 | 0 | 0 | 0 | 116.4 | S1286 S1291 | S1286-N1288 PolarHBondContact O-N 3.01Å; N1288-S1291 PolarHBondContact O-OG 3.1Å |
| 1289 | C | 29.7 | Very low | 33.7 | Very low | 71 Ų | 71 | 85.8 Ų | 85.8 | 48% | 0.48 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -24.4 | -172 | -158.8 | 0 | 0 | 0 | 0 | 115 | G1287 | G1287-C1289 VanDerWaalsContact C-N 3.26Å; G1287-C1289 PolarHBondContact O-N 3.05Å |
| 1290 | F | 28.5 | Very low | 35 | Very low | 179 Ų | 179 | 82.2 Ų | 82.2 | 79% | 0.785 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -36.6 | -176.1 | -86.8 | -79.9 | 0 | 0 | 0 | 113.9 | N1292 I1293 | F1290-N1292 PolarHBondContact O-N 3.29Å; F1290-I1293 PolarHBondContact O-N 3.02Å |
| 1291 | S | 38.9 | Very low | 36 | Very low | 28 Ų | 28 | 83 Ų | 83 | 20% | 0.196 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -54.2 | -53.2 | -178.6 | 47.3 | 0 | 0 | 0 | 0 | 111.9 | N1288 I1293 A1294 F1295 | N1288-S1291 PolarHBondContact O-OG 3.1Å; S1291-I1293 PolarHBondContact O-N 3.14Å; S1291-I1293 VanDerWaalsContact O-N 3.12Å; S1291-A1294 PolarHBondContact O-N 3.03Å; S1291-A1294 VanDerWaalsContact O-N 3.12Å; S1291-F1295 WeakPolarHBondContact O-CD2 3.36Å; S1291-F1295 PolarHBondContact O-N 3.05Å |
| 1292 | N | 39.6 | Very low | 37.2 | Very low | 85 Ų | 85 | 77 Ų | 77 | 46% | 0.455 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -55.7 | -32.2 | -176.5 | -80.3 | -21.2 | 0 | 0 | 0 | 114.1 | F1290 N1296 | F1290-N1292 PolarHBondContact O-N 3.29Å; N1292-N1296 WeakPolarHBondContact O-CB 3.32Å; N1292-N1296 PolarHBondContact O-N 2.71Å; N1292-N1296 VanDerWaalsContact O-N 3.14Å; N1292-N1296 PolarHBondContact O-ND2 3.09Å |
| 1293 | I | 42.1 | Very low | 38.6 | Very low | 114 Ų | 114 | 74.3 Ų | 74.3 | 59% | 0.585 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -67.3 | -44.7 | -179.4 | -60 | 177.1 | 0 | 0 | 0 | 110.3 | F1290 S1291 N1296 L1297 | F1290-I1293 PolarHBondContact O-N 3.02Å; S1291-I1293 PolarHBondContact O-N 3.14Å; S1291-I1293 VanDerWaalsContact O-N 3.12Å; I1293-N1296 PolarHBondContact O-N 3.23Å; I1293-L1297 PolarHBondContact O-N 2.65Å |
| 1294 | A | 45.8 | Very low | 39.9 | Very low | 30 Ų | 30 | 72.3 Ų | 72.3 | 25% | 0.248 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -72.8 | -35.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | P1093 S1291 L1297 A1298 | P1093-A1294 HydrophobicContact CB-CB 4.11Å; P1093-A1294 HydrophobicContact CG-CB 3.44Å; P1093-A1294 VanDerWaalsContact CG-CB 3.44Å; S1291-A1294 PolarHBondContact O-N 3.03Å; S1291-A1294 VanDerWaalsContact O-N 3.12Å; A1294-L1297 PolarHBondContact O-N 3.5Å; A1294-A1298 VanDerWaalsContact O-CB 3.28Å; A1294-A1298 WeakPolarHBondContact O-CB 3.5Å; A1294-A1298 PolarHBondContact O-N 3.39Å |
| 1295 | F | 49.5 | Very low | 41.2 | Very low | 9 Ų | 9 | 69.1 Ų | 69.1 | 4% | 0.039 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.4 | -44 | 171.4 | -72.8 | -67.6 | 0 | 0 | 0 | 112.1 | P1093 I1166 L1170 V1206 S1291 A1298 S1299 | P1093-F1295 HydrophobicContact CB-CD1 4.41Å; P1093-F1295 HydrophobicContact CB-CE1 3.99Å; P1093-F1295 HydrophobicContact CB-CE2 4.15Å; P1093-F1295 HydrophobicContact CB-CZ 3.81Å; P1093-F1295 HydrophobicContact CG-CE2 4.15Å; P1093-F1295 HydrophobicContact CG-CZ 4.28Å; I1166-F1295 HydrophobicContact CB-CZ 4.43Å; I1166-F1295 HydrophobicContact CG2-CD1 4.46Å; I1166-F1295 HydrophobicContact CG2-CE1 3.42Å; I1166-F1295 VanDerWaalsContact CG2-CE1 3.42Å; I1166-F1295 HydrophobicContact CG2-CE2 4.21Å; I1166-F1295 HydrophobicContact CG2-CZ 3.3Å; L1170-F1295 HydrophobicContact CD1-CD1 4.14Å; L1170-F1295 HydrophobicContact CD1-CE1 3.46Å; L1170-F1295 VanDerWaalsContact CD1-CE1 3.46Å; L1170-F1295 HydrophobicContact CD1-CZ 4.19Å; L1170-F1295 HydrophobicContact CD2-CD1 4.14Å; L1170-F1295 HydrophobicContact CD2-CE1 4.13Å; L1170-F1295 HydrophobicContact CG-CD1 4.3Å; L1170-F1295 HydrophobicContact CG-CE1 3.79Å; V1206-F1295 HydrophobicContact CG2-CD1 3.92Å; V1206-F1295 HydrophobicContact CG2-CE1 4.48Å; S1291-F1295 WeakPolarHBondContact O-CD2 3.36Å; S1291-F1295 PolarHBondContact O-N 3.05Å; F1295-A1298 PolarHBondContact O-N 2.97Å; F1295-S1299 PolarHBondContact O-N 2.71Å; F1295-S1299 PolarHBondContact O-OG 2.86Å |
| 1296 | N | 50.1 | Low | 42.8 | Very low | 44 Ų | 44 | 61.5 Ų | 61.5 | 24% | 0.235 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -67.7 | -37 | 176.3 | -78.3 | -68.3 | 0 | 0 | 0 | 112.8 | N1292 I1293 A1298 S1299 S1300 | N1292-N1296 WeakPolarHBondContact O-CB 3.32Å; N1292-N1296 PolarHBondContact O-N 2.71Å; N1292-N1296 VanDerWaalsContact O-N 3.14Å; N1292-N1296 PolarHBondContact O-ND2 3.09Å; I1293-N1296 PolarHBondContact O-N 3.23Å; N1296-A1298 VanDerWaalsContact C-N 3.35Å; N1296-S1299 PolarHBondContact O-OG 2.83Å; N1296-S1299 VanDerWaalsContact O-OG 3.1Å; N1296-S1300 WeakPolarHBondContact O-CB 3.47Å; N1296-S1300 PolarHBondContact O-N 3.45Å |
| 1297 | L | 45.8 | Very low | 44.2 | Very low | 119 Ų | 119 | 57 Ų | 57 | 62% | 0.623 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -64.8 | -42 | 173.4 | -159.4 | 83.7 | 0 | 0 | 0 | 111.1 | I1293 A1294 S1300 V1301 | I1293-L1297 PolarHBondContact O-N 2.65Å; A1294-L1297 PolarHBondContact O-N 3.5Å; L1297-S1300 PolarHBondContact O-N 3.04Å; L1297-V1301 PolarHBondContact O-N 3.39Å |
| 1298 | A | 46.3 | Very low | 45.3 | Very low | 8 Ų | 8 | 58.5 Ų | 58.5 | 7% | 0.066 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1097 L1170 R1177 A1294 F1295 N1296 | L1097-A1298 HydrophobicContact CD1-CB 4.04Å; L1097-A1298 HydrophobicContact CD2-CB 4.2Å; L1170-A1298 HydrophobicContact CD2-CB 4.38Å; R1177-A1298 PolarHBondContact NH2-O 2.9Å; A1294-A1298 VanDerWaalsContact O-CB 3.28Å; A1294-A1298 WeakPolarHBondContact O-CB 3.5Å; A1294-A1298 PolarHBondContact O-N 3.39Å; F1295-A1298 PolarHBondContact O-N 2.97Å; N1296-A1298 VanDerWaalsContact C-N 3.35Å |
| 1299 | S | 47.6 | Very low | 46.6 | Very low | 6 Ų | 6 | 58.9 Ų | 58.9 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.8 | -40 | 177.8 | 61.7 | 0 | 0 | 0 | 0 | 112 | F1295 N1296 V1301 T1302 Y1303 | F1295-S1299 PolarHBondContact O-N 2.71Å; F1295-S1299 PolarHBondContact O-OG 2.86Å; N1296-S1299 PolarHBondContact O-OG 2.83Å; N1296-S1299 VanDerWaalsContact O-OG 3.1Å; S1299-V1301 PolarHBondContact O-N 3.48Å; S1299-T1302 PolarHBondContact O-N 3.38Å; S1299-T1302 PolarHBondContact O-OG1 3.45Å; S1299-Y1303 PolarHBondContact O-N 2.77Å |
| 1300 | S | 48.9 | Very low | 48 | Very low | 46 Ų | 46 | 55.6 Ų | 55.6 | 32% | 0.322 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -54.9 | -42 | -178.6 | -176.6 | 0 | 0 | 0 | 0 | 114.1 | N1296 L1297 T1302 Y1303 S1304 | N1296-S1300 WeakPolarHBondContact O-CB 3.47Å; N1296-S1300 PolarHBondContact O-N 3.45Å; L1297-S1300 PolarHBondContact O-N 3.04Å; S1300-T1302 PolarHBondContact O-N 2.8Å; S1300-Y1303 WeakPolarHBondContact O-CB 3.43Å; S1300-Y1303 PolarHBondContact O-N 3.29Å; S1300-Y1303 VanDerWaalsContact O-N 3.14Å; S1300-S1304 PolarHBondContact O-N 3.18Å; S1300-S1304 VanDerWaalsContact O-N 3.12Å |
| 1301 | V | 47 | Very low | 49.5 | Very low | 106 Ų | 106 | 47.2 Ų | 47.2 | 64% | 0.642 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -65 | -40.1 | -179.5 | 177.5 | 0 | 0 | 0 | 0 | 111.5 | L1297 S1299 S1305 | L1297-V1301 PolarHBondContact O-N 3.39Å; S1299-V1301 PolarHBondContact O-N 3.48Å; V1301-S1305 PolarHBondContact O-OG 2.96Å |
| 1302 | T | 49.2 | Very low | 50.3 | Low | 7 Ų | 7 | 52.3 Ų | 52.3 | 4% | 0.043 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.8 | -40.7 | 169.2 | 19.1 | 0 | 0 | 0 | 0 | 112.1 | L1173 R1177 L1213 S1299 S1300 S1304 S1305 L1306 | L1173-T1302 HydrophobicContact CD1-CG2 4.48Å; R1177-T1302 HydrophobicContact CG-CG2 4.47Å; R1177-T1302 VanDerWaalsContact NE-CG2 3.35Å; R1177-T1302 VanDerWaalsContact NH2-CG2 3.35Å; R1177-T1302 PolarHBondContact NH2-OG1 3.01Å; L1213-T1302 HydrophobicContact CD2-CG2 4.12Å; S1299-T1302 PolarHBondContact O-N 3.38Å; S1299-T1302 PolarHBondContact O-OG1 3.45Å; S1300-T1302 PolarHBondContact O-N 2.8Å; T1302-S1304 PolarHBondContact O-N 3.2Å; T1302-S1305 PolarHBondContact O-N 2.84Å; T1302-S1305 PolarHBondContact O-OG 3.12Å; T1302-L1306 WeakPolarHBondContact O-CB 3.36Å; T1302-L1306 PolarHBondContact O-N 2.97Å |
| 1303 | Y | 52.8 | Low | 51.3 | Low | 19 Ų | 19 | 49.8 Ų | 49.8 | 8% | 0.075 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.9 | -45.1 | -175.3 | -174.3 | -116.6 | 0 | 0 | 0 | 112.3 | L1267 A1270 S1299 S1300 S1305 L1306 V1307 G1347 L1350 | L1267-Y1303 HydrophobicContact CD2-CE2 4.31Å; A1270-Y1303 HydrophobicContact CB-CD2 3.37Å; A1270-Y1303 HydrophobicContact CB-CE2 3.44Å; A1270-Y1303 VanDerWaalsContact CB-CE2 3.44Å; A1270-Y1303 HydrophobicContact CB-CG 4.22Å; S1299-Y1303 PolarHBondContact O-N 2.77Å; S1300-Y1303 WeakPolarHBondContact O-CB 3.43Å; S1300-Y1303 PolarHBondContact O-N 3.29Å; S1300-Y1303 VanDerWaalsContact O-N 3.14Å; Y1303-S1305 VanDerWaalsContact C-N 3.3Å; Y1303-S1305 PolarHBondContact O-N 3.36Å; Y1303-L1306 PolarHBondContact O-N 3.21Å; Y1303-V1307 HydrophobicContact CD1-CG2 4.13Å; Y1303-V1307 HydrophobicContact CD2-CG2 3.51Å; Y1303-V1307 HydrophobicContact CE1-CG2 3.98Å; Y1303-V1307 HydrophobicContact CE2-CG2 3.33Å; Y1303-V1307 HydrophobicContact CG-CG2 3.93Å; Y1303-V1307 VanDerWaalsContact O-CB 3.26Å; Y1303-V1307 WeakPolarHBondContact O-CB 3.28Å; Y1303-V1307 WeakPolarHBondContact O-CG2 3.38Å; Y1303-V1307 PolarHBondContact O-N 2.86Å; Y1303-G1347 WeakPolarHBondContact OH-CA 3.39Å; Y1303-G1347 PolarHBondContact OH-N 3.43Å; Y1303-L1350 HydrophobicContact CD1-CD1 4.49Å; Y1303-L1350 HydrophobicContact CE1-CD1 3.57Å |
| 1304 | S | 49.7 | Very low | 52.3 | Low | 62 Ų | 62 | 44.3 Ų | 44.3 | 43% | 0.434 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.8 | -32.3 | -179.9 | -171.9 | 0 | 0 | 0 | 0 | 114.1 | S1300 T1302 R1308 | S1300-S1304 PolarHBondContact O-N 3.18Å; S1300-S1304 VanDerWaalsContact O-N 3.12Å; T1302-S1304 PolarHBondContact O-N 3.2Å; S1304-R1308 WeakPolarHBondContact O-CG 3.27Å |
| 1305 | S | 52.9 | Low | 52.8 | Low | 70 Ų | 70 | 44.2 Ų | 44.2 | 49% | 0.49 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -83.8 | -42.2 | 177.7 | 45.6 | 0 | 0 | 0 | 0 | 111.5 | V1301 T1302 Y1303 R1308 | V1301-S1305 PolarHBondContact O-OG 2.96Å; T1302-S1305 PolarHBondContact O-N 2.84Å; T1302-S1305 PolarHBondContact O-OG 3.12Å; Y1303-S1305 VanDerWaalsContact C-N 3.3Å; Y1303-S1305 PolarHBondContact O-N 3.36Å; S1305-R1308 PolarHBondContact O-N 2.94Å |
| 1306 | L | 55.1 | Low | 53.4 | Low | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.3 | -38.8 | -178.5 | -175.4 | 150.5 | 0 | 0 | 0 | 112.2 | L1213 V1266 T1302 Y1303 R1308 R1309 L1310 | L1213-L1306 HydrophobicContact CB-CD1 4.4Å; V1266-L1306 HydrophobicContact CB-CD2 4.39Å; V1266-L1306 HydrophobicContact CG1-CD2 3.66Å; T1302-L1306 WeakPolarHBondContact O-CB 3.36Å; T1302-L1306 PolarHBondContact O-N 2.97Å; Y1303-L1306 PolarHBondContact O-N 3.21Å; L1306-R1308 PolarHBondContact O-N 3.39Å; L1306-R1309 PolarHBondContact O-N 2.93Å; L1306-R1309 VanDerWaalsContact O-N 3.16Å; L1306-L1310 HydrophobicContact CD2-CD1 3.4Å; L1306-L1310 HydrophobicContact CD2-CG 3.68Å; L1306-L1310 HydrophobicContact CG-CD1 4.35Å; L1306-L1310 HydrophobicContact CG-CG 4.18Å; L1306-L1310 WeakPolarHBondContact O-CB 3.44Å; L1306-L1310 PolarHBondContact O-N 2.62Å |
| 1307 | V | 54.3 | Low | 54 | Low | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.2 | -41.5 | 173.1 | 168.9 | 0 | 0 | 0 | 0 | 111.7 | L1267 Y1303 R1309 G1311 G1347 L1350 | L1267-V1307 HydrophobicContact CD2-CG2 3.82Å; Y1303-V1307 HydrophobicContact CD1-CG2 4.13Å; Y1303-V1307 HydrophobicContact CD2-CG2 3.51Å; Y1303-V1307 HydrophobicContact CE1-CG2 3.98Å; Y1303-V1307 HydrophobicContact CE2-CG2 3.33Å; Y1303-V1307 HydrophobicContact CG-CG2 3.93Å; Y1303-V1307 VanDerWaalsContact O-CB 3.26Å; Y1303-V1307 WeakPolarHBondContact O-CB 3.28Å; Y1303-V1307 WeakPolarHBondContact O-CG2 3.38Å; Y1303-V1307 PolarHBondContact O-N 2.86Å; V1307-R1309 PolarHBondContact O-N 3.43Å; V1307-R1309 VanDerWaalsContact O-N 3.14Å; V1307-G1311 WeakPolarHBondContact O-CA 3.42Å; V1307-G1311 PolarHBondContact O-N 2.93Å; V1307-G1347 WeakPolarHBondContact CG1-O 3.3Å; V1307-L1350 HydrophobicContact CG1-CB 3.94Å |
| 1308 | R | 51.6 | Low | 54.8 | Low | 102 Ų | 102 | 40 Ų | 40 | 39% | 0.385 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.7 | -16.2 | 177.6 | -76.1 | 178.4 | 175.4 | 176.9 | -1.7 | 113.6 | S1304 S1305 L1306 R1312 N1354 | S1304-R1308 WeakPolarHBondContact O-CG 3.27Å; S1305-R1308 PolarHBondContact O-N 2.94Å; L1306-R1308 PolarHBondContact O-N 3.39Å; R1308-R1312 PolarHBondContact O-NH1 3.33Å; R1308-N1354 HydrophobicContact CG-CB 4.46Å; R1308-N1354 PolarHBondContact NE-OD1 3.42Å; R1308-N1354 PolarHBondContact NH2-OD1 3.34Å |
| 1309 | R | 53 | Low | 55.4 | Low | 122 Ų | 122 | 40 Ų | 40 | 46% | 0.46 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -114.7 | -39.6 | -178.4 | -162.2 | 153.5 | 126.5 | 145.5 | -4.8 | 113.5 | D1216 L1306 V1307 G1311 R1312 S1313 | D1216-R1309 PolarHBondContact O-NH2 3.39Å; D1216-R1309 VanDerWaalsContact OD1-CD 3.29Å; D1216-R1309 WeakPolarHBondContact OD1-CD 3.49Å; D1216-R1309 WeakPolarHBondContact OD1-CG 3.47Å; D1216-R1309 IonicContact OD1-CZ 2.76Å; D1216-R1309 IonicContact OD1-NE 3.88Å; D1216-R1309 PolarHBondContact OD1-NE 2.82Å; D1216-R1309 IonicContact OD1-NH2 3.19Å; D1216-R1309 IonicContact OD2-CZ 3.93Å; D1216-R1309 IonicContact OD2-NE 2.74Å; D1216-R1309 PolarHBondContact OD2-NE 3.42Å; D1216-R1309 IonicContact OD2-NH2 2.7Å; L1306-R1309 PolarHBondContact O-N 2.93Å; L1306-R1309 VanDerWaalsContact O-N 3.16Å; V1307-R1309 PolarHBondContact O-N 3.43Å; V1307-R1309 VanDerWaalsContact O-N 3.14Å; R1309-G1311 VanDerWaalsContact C-N 3.27Å; R1309-G1311 PolarHBondContact O-N 3.32Å; R1309-R1312 WeakPolarHBondContact O-CB 3.43Å; R1309-R1312 PolarHBondContact O-N 3.39Å; R1309-R1312 VanDerWaalsContact O-N 3.14Å; R1309-S1313 PolarHBondContact O-N 3.34Å |
| 1310 | L | 58.6 | Low | 56.3 | Low | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.7 | -42.4 | 163.5 | -74.4 | -162.6 | 0 | 0 | 0 | 111.2 | Y1215 V1266 L1306 R1312 S1313 L1314 | Y1215-L1310 HydrophobicContact CD1-CD2 3.79Å; Y1215-L1310 HydrophobicContact CE1-CD2 3.74Å; V1266-L1310 HydrophobicContact CB-CD1 4.01Å; V1266-L1310 HydrophobicContact CG1-CD1 4.49Å; L1306-L1310 HydrophobicContact CD2-CD1 3.4Å; L1306-L1310 HydrophobicContact CD2-CG 3.68Å; L1306-L1310 HydrophobicContact CG-CD1 4.35Å; L1306-L1310 HydrophobicContact CG-CG 4.18Å; L1306-L1310 WeakPolarHBondContact O-CB 3.44Å; L1306-L1310 PolarHBondContact O-N 2.62Å; L1310-R1312 PolarHBondContact O-N 3.04Å; L1310-S1313 CarbonylContact O-C 3.6Å; L1310-S1313 WeakPolarHBondContact O-CA 3.05Å; L1310-S1313 WeakPolarHBondContact O-CB 3.37Å; L1310-S1313 PolarHBondContact O-N 3.47Å; L1310-L1314 HydrophobicContact CB-CD1 4.37Å; L1310-L1314 WeakPolarHBondContact O-CD1 3.4Å; L1310-L1314 PolarHBondContact O-N 3.16Å |
| 1311 | G | 60.9 | Low | 57.3 | Low | 3 Ų | 3 | 42.5 Ų | 42.5 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.2 | -33.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | V1307 R1309 L1314 A1315 Y1351 | V1307-G1311 WeakPolarHBondContact O-CA 3.42Å; V1307-G1311 PolarHBondContact O-N 2.93Å; R1309-G1311 VanDerWaalsContact C-N 3.27Å; R1309-G1311 PolarHBondContact O-N 3.32Å; G1311-L1314 CarbonylContact O-C 3.59Å; G1311-L1314 PolarHBondContact O-N 3.21Å; G1311-A1315 WeakPolarHBondContact O-CB 3.08Å; G1311-A1315 PolarHBondContact O-N 2.97Å; G1311-Y1351 VanDerWaalsContact O-CE1 3.26Å; G1311-Y1351 WeakPolarHBondContact O-CE1 3.4Å |
| 1312 | R | 54.9 | Low | 58.3 | Low | 134 Ų | 134 | 37.7 Ų | 37.7 | 51% | 0.506 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -70.4 | -37.1 | 171.9 | -69.2 | 177.6 | 167.8 | 106.7 | -20.8 | 112.5 | R1308 R1309 L1310 L1314 A1315 P1316 Y1351 | R1308-R1312 PolarHBondContact O-NH1 3.33Å; R1309-R1312 WeakPolarHBondContact O-CB 3.43Å; R1309-R1312 PolarHBondContact O-N 3.39Å; R1309-R1312 VanDerWaalsContact O-N 3.14Å; L1310-R1312 PolarHBondContact O-N 3.04Å; R1312-L1314 VanDerWaalsContact C-N 3.35Å; R1312-A1315 PolarHBondContact O-N 3.46Å; R1312-P1316 WeakPolarHBondContact O-CD 3.44Å; R1312-Y1351 HydrophobicContact CG-CE2 3.99Å |
| 1313 | S | 61.1 | Low | 58.8 | Low | 32 Ų | 32 | 39.5 Ų | 39.5 | 22% | 0.224 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67 | -35.6 | 171.8 | 173.6 | 0 | 0 | 0 | 0 | 112.1 | Y1215 R1309 L1310 P1316 | Y1215-S1313 PolarHBondContact OH-OG 3.17Å; R1309-S1313 PolarHBondContact O-N 3.34Å; L1310-S1313 CarbonylContact O-C 3.6Å; L1310-S1313 WeakPolarHBondContact O-CA 3.05Å; L1310-S1313 WeakPolarHBondContact O-CB 3.37Å; L1310-S1313 PolarHBondContact O-N 3.47Å; S1313-P1316 WeakPolarHBondContact O-CD 3.33Å |
| 1314 | L | 63.6 | Low | 59.6 | Low | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -75.7 | -21.6 | 173.4 | -87.2 | 75.8 | 0 | 0 | 0 | 113 | L1260 L1264 L1267 L1310 G1311 R1312 A1317 L1318 L1321 L1348 | L1260-L1314 HydrophobicContact CD2-CD1 3.96Å; L1260-L1314 HydrophobicContact CD2-CG 4.25Å; L1264-L1314 HydrophobicContact CD2-CD2 4.19Å; L1267-L1314 HydrophobicContact CD1-CD2 3.66Å; L1310-L1314 HydrophobicContact CB-CD1 4.37Å; L1310-L1314 WeakPolarHBondContact O-CD1 3.4Å; L1310-L1314 PolarHBondContact O-N 3.16Å; G1311-L1314 CarbonylContact O-C 3.59Å; G1311-L1314 PolarHBondContact O-N 3.21Å; R1312-L1314 VanDerWaalsContact C-N 3.35Å; L1314-A1317 CarbonylContact O-C 3.56Å; L1314-A1317 WeakPolarHBondContact O-CA 3.42Å; L1314-A1317 PolarHBondContact O-N 3.47Å; L1314-L1318 PolarHBondContact O-N 3.1Å; L1314-L1321 HydrophobicContact CD2-CD2 3.53Å; L1314-L1321 HydrophobicContact CG-CD2 4.18Å; L1314-L1348 HydrophobicContact CD2-CD2 3.7Å |
| 1315 | A | 56.2 | Low | 60.5 | Low | 27 Ų | 27 | 39.9 Ų | 39.9 | 22% | 0.223 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -42 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | G1311 R1312 A1317 L1318 Y1351 | G1311-A1315 WeakPolarHBondContact O-CB 3.08Å; G1311-A1315 PolarHBondContact O-N 2.97Å; R1312-A1315 PolarHBondContact O-N 3.46Å; A1315-A1317 PolarHBondContact O-N 3.1Å; A1315-L1318 HydrophobicContact CB-CD1 4.37Å; A1315-Y1351 HydrophobicContact CB-CE1 4.46Å |
| 1316 | P | 62.7 | Low | 61.4 | Low | 69 Ų | 69 | 40.6 Ų | 40.6 | 45% | 0.448 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -5.2 | 172.3 | -18.8 | 33.5 | 0 | 0 | 0 | 114.8 | R1312 S1313 I1410 | R1312-P1316 WeakPolarHBondContact O-CD 3.44Å; S1313-P1316 WeakPolarHBondContact O-CD 3.33Å; P1316-I1410 WeakPolarHBondContact O-CD1 3.36Å |
| 1317 | A | 62.8 | Low | 62.1 | Low | 2 Ų | 2 | 45.2 Ų | 45.2 | 2% | 0.017 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | -13.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | I1255 L1260 L1314 A1315 P1319 R1320 L1321 | I1255-A1317 HydrophobicContact CG2-CB 4.32Å; L1260-A1317 HydrophobicContact CD1-CB 3.22Å; L1314-A1317 CarbonylContact O-C 3.56Å; L1314-A1317 WeakPolarHBondContact O-CA 3.42Å; L1314-A1317 PolarHBondContact O-N 3.47Å; A1315-A1317 PolarHBondContact O-N 3.1Å; A1317-P1319 VanDerWaalsContact O-N 3.09Å; A1317-R1320 PolarHBondContact O-N 3.17Å; A1317-L1321 WeakPolarHBondContact O-CB 2.94Å; A1317-L1321 PolarHBondContact O-N 2.82Å |
| 1318 | L | 61.3 | Low | 63 | Low | 12 Ų | 12 | 46.8 Ų | 46.8 | 6% | 0.063 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -38 | -49.6 | 172 | -82.6 | 171.3 | 0 | 0 | 0 | 111.4 | L1314 A1315 R1320 L1321 V1322 L1348 Y1351 H1406 | L1314-L1318 PolarHBondContact O-N 3.1Å; A1315-L1318 HydrophobicContact CB-CD1 4.37Å; L1318-R1320 VanDerWaalsContact C-N 3.3Å; L1318-R1320 PolarHBondContact O-N 3.42Å; L1318-L1321 PolarHBondContact O-N 2.89Å; L1318-V1322 HydrophobicContact CB-CG2 4.29Å; L1318-V1322 HydrophobicContact CD2-CG2 3.62Å; L1318-V1322 WeakPolarHBondContact O-CB 3.17Å; L1318-V1322 VanDerWaalsContact O-CG2 3.24Å; L1318-V1322 WeakPolarHBondContact O-CG2 3.4Å; L1318-V1322 PolarHBondContact O-N 3.48Å; L1318-L1348 HydrophobicContact CD2-CD2 3.71Å; L1318-Y1351 HydrophobicContact CD1-CE1 4.45Å; L1318-H1406 HydrophobicContact CB-CB 4.15Å; L1318-H1406 HydrophobicContact CD1-CB 4.37Å |
| 1319 | P | 60.2 | Low | 63.6 | Low | 9 Ų | 9 | 43 Ų | 43 | 6% | 0.058 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.5 | -24.7 | -176.7 | -24.6 | 39.8 | 0 | 0 | 0 | 115.1 | A1317 H1406 F1407 I1410 | A1317-P1319 VanDerWaalsContact O-N 3.09Å; P1319-H1406 HydrophobicContact CG-CB 4.41Å; P1319-H1406 WeakPolarHBondContact CG-O 3.46Å; P1319-F1407 WeakPolarHBondContact O-CD2 3.5Å; P1319-F1407 WeakPolarHBondContact O-CE2 3.47Å; P1319-I1410 HydrophobicContact CB-CB 3.72Å; P1319-I1410 HydrophobicContact CB-CD1 4.11Å; P1319-I1410 HydrophobicContact CB-CG1 4.23Å; P1319-I1410 HydrophobicContact CB-CG2 4.23Å; P1319-I1410 HydrophobicContact CG-CB 3.91Å; P1319-I1410 HydrophobicContact CG-CD1 3.72Å; P1319-I1410 HydrophobicContact CG-CG1 3.9Å |
| 1320 | R | 65.1 | Low | 64.1 | Low | 105 Ų | 105 | 42.1 Ų | 42.1 | 40% | 0.396 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -92.9 | -29.9 | 175.2 | -69.2 | -173.4 | 175.6 | -166.6 | -0.1 | 112.3 | I1255 A1317 L1318 R1324 | I1255-R1320 HydrophobicContact CB-CB 4.47Å; I1255-R1320 HydrophobicContact CG1-CB 4.17Å; I1255-R1320 HydrophobicContact CG2-CB 3.89Å; I1255-R1320 WeakPolarHBondContact O-CD 3.46Å; I1255-R1320 PolarHBondContact O-NH1 3.05Å; A1317-R1320 PolarHBondContact O-N 3.17Å; L1318-R1320 VanDerWaalsContact C-N 3.3Å; L1318-R1320 PolarHBondContact O-N 3.42Å; R1320-R1324 WeakPolarHBondContact O-CD 3.16Å; R1320-R1324 PolarHBondContact O-NH1 2.93Å |
| 1321 | L | 71.1 | Confident | 64.4 | Low | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -81.1 | -50.6 | -177 | 176.4 | 65.9 | 0 | 0 | 0 | 112.7 | L1251 I1255 L1264 L1314 A1317 L1318 R1324 V1325 L1348 | L1251-L1321 HydrophobicContact CD2-CD1 3.75Å; I1255-L1321 HydrophobicContact CD1-CB 3.79Å; I1255-L1321 HydrophobicContact CD1-CD1 3.62Å; I1255-L1321 HydrophobicContact CD1-CG 4.31Å; L1264-L1321 HydrophobicContact CD1-CD1 3.93Å; L1264-L1321 HydrophobicContact CD2-CD1 3.57Å; L1264-L1321 HydrophobicContact CD2-CD2 3.68Å; L1264-L1321 HydrophobicContact CD2-CG 4.26Å; L1264-L1321 HydrophobicContact CG-CD1 4.41Å; L1314-L1321 HydrophobicContact CD2-CD2 3.53Å; L1314-L1321 HydrophobicContact CG-CD2 4.18Å; A1317-L1321 WeakPolarHBondContact O-CB 2.94Å; A1317-L1321 PolarHBondContact O-N 2.82Å; L1318-L1321 PolarHBondContact O-N 2.89Å; L1321-R1324 WeakPolarHBondContact O-CA 3.22Å; L1321-R1324 WeakPolarHBondContact O-CB 3.33Å; L1321-R1324 PolarHBondContact O-N 3.44Å; L1321-V1325 HydrophobicContact CD1-CG2 3.51Å; L1321-V1325 HydrophobicContact CG-CG2 3.86Å; L1321-V1325 PolarHBondContact O-N 3.47Å; L1321-L1348 HydrophobicContact CD2-CD1 4.34Å |
| 1322 | V | 66.7 | Low | 64.7 | Low | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.03 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -54.7 | -47.5 | -169.9 | 159.6 | 0 | 0 | 0 | 0 | 112.8 | L1318 R1324 V1325 F1326 W1345 L1348 V1403 | L1318-V1322 HydrophobicContact CB-CG2 4.29Å; L1318-V1322 HydrophobicContact CD2-CG2 3.62Å; L1318-V1322 WeakPolarHBondContact O-CB 3.17Å; L1318-V1322 VanDerWaalsContact O-CG2 3.24Å; L1318-V1322 WeakPolarHBondContact O-CG2 3.4Å; L1318-V1322 PolarHBondContact O-N 3.48Å; V1322-R1324 VanDerWaalsContact C-N 3.34Å; V1322-R1324 PolarHBondContact O-N 3.16Å; V1322-V1325 PolarHBondContact O-N 3.47Å; V1322-F1326 VanDerWaalsContact O-CB 3.26Å; V1322-F1326 WeakPolarHBondContact O-CB 3.23Å; V1322-F1326 PolarHBondContact O-N 3.26Å; V1322-W1345 HydrophobicContact CG1-CZ3 4.33Å; V1322-L1348 HydrophobicContact CG2-CD1 4.22Å; V1322-V1403 HydrophobicContact CG1-CB 3.8Å; V1322-V1403 HydrophobicContact CG1-CG1 3.29Å; V1322-V1403 HydrophobicContact CG1-CG2 3.58Å; V1322-V1403 HydrophobicContact CG2-CG2 4.15Å |
| 1323 | P | 59.9 | Low | 65.5 | Low | 45 Ų | 45 | 48.5 Ų | 48.5 | 29% | 0.292 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.9 | -37.8 | 175.5 | -20.2 | 31.8 | 0 | 0 | 0 | 112.8 | F1326 V1327 F1407 | P1323-F1326 PolarHBondContact O-N 2.97Å; P1323-V1327 WeakPolarHBondContact O-CB 3.35Å; P1323-V1327 WeakPolarHBondContact O-CG2 3.37Å; P1323-V1327 PolarHBondContact O-N 2.97Å; P1323-F1407 HydrophobicContact CG-CD2 3.55Å; P1323-F1407 HydrophobicContact CG-CE2 3.5Å; P1323-F1407 VanDerWaalsContact CG-CE2 3.5Å; P1323-F1407 HydrophobicContact CG-CZ 4.46Å |
| 1324 | R | 69.4 | Low | 66 | Low | 88 Ų | 88 | 51.7 Ų | 51.7 | 33% | 0.332 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68 | -37.4 | -179.6 | -71.6 | 178.1 | 169.4 | 72.9 | 0.2 | 112.3 | L1251 Q1254 R1320 L1321 V1322 R1328 | L1251-R1324 HydrophobicContact CD1-CB 4.37Å; L1251-R1324 HydrophobicContact CD2-CB 3.99Å; L1251-R1324 HydrophobicContact CG-CB 4.3Å; Q1254-R1324 PolarHBondContact O-NH2 3.4Å; R1320-R1324 WeakPolarHBondContact O-CD 3.16Å; R1320-R1324 PolarHBondContact O-NH1 2.93Å; L1321-R1324 WeakPolarHBondContact O-CA 3.22Å; L1321-R1324 WeakPolarHBondContact O-CB 3.33Å; L1321-R1324 PolarHBondContact O-N 3.44Å; V1322-R1324 VanDerWaalsContact C-N 3.34Å; V1322-R1324 PolarHBondContact O-N 3.16Å; R1324-R1328 WeakPolarHBondContact O-CB 3.46Å; R1324-R1328 WeakPolarHBondContact O-CG 3.44Å; R1324-R1328 PolarHBondContact O-N 2.9Å |
| 1325 | V | 69.8 | Low | 66.2 | Low | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -72.5 | -45.2 | 173.7 | 175 | 0 | 0 | 0 | 0 | 110.4 | L1321 V1322 V1327 R1328 R1329 M1341 V1344 W1345 | L1321-V1325 HydrophobicContact CD1-CG2 3.51Å; L1321-V1325 HydrophobicContact CG-CG2 3.86Å; L1321-V1325 PolarHBondContact O-N 3.47Å; V1322-V1325 PolarHBondContact O-N 3.47Å; V1325-V1327 PolarHBondContact O-N 2.93Å; V1325-R1328 PolarHBondContact O-N 3.43Å; V1325-R1329 WeakPolarHBondContact O-CG 3.3Å; V1325-R1329 PolarHBondContact O-N 2.89Å; V1325-M1341 HydrophobicContact CG1-CB 4.42Å; V1325-M1341 WeakPolarHBondContact CG1-O 3.45Å; V1325-M1341 HydrophobicContact CG1-SD 4.4Å; V1325-M1341 HydrophobicContact CG2-SD 4.21Å; V1325-V1344 HydrophobicContact CG1-CB 4.23Å; V1325-V1344 HydrophobicContact CG1-CG1 4.01Å; V1325-V1344 HydrophobicContact CG2-CG1 3.95Å; V1325-W1345 HydrophobicContact CG1-CB 4.19Å |
| 1326 | F | 72.2 | Confident | 66.9 | Low | 85 Ų | 85 | 61.8 Ų | 61.8 | 37% | 0.373 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -56.9 | -48.3 | 178.3 | -177.2 | -100.1 | 0 | 0 | 0 | 112 | V1322 P1323 R1329 F1330 W1345 | V1322-F1326 VanDerWaalsContact O-CB 3.26Å; V1322-F1326 WeakPolarHBondContact O-CB 3.23Å; V1322-F1326 PolarHBondContact O-N 3.26Å; P1323-F1326 PolarHBondContact O-N 2.97Å; F1326-R1329 WeakPolarHBondContact O-CB 3.41Å; F1326-R1329 PolarHBondContact O-N 2.91Å; F1326-F1330 HydrophobicContact CD2-CE2 4.32Å; F1326-F1330 HydrophobicContact CE1-CE2 4.17Å; F1326-F1330 AromaticContact CE2-CE2 3.98Å; F1326-F1330 HydrophobicContact CE2-CE2 3.98Å; F1326-F1330 AromaticContact CZ-CE2 3.89Å; F1326-F1330 HydrophobicContact CZ-CE2 3.89Å; F1326-F1330 WeakPolarHBondContact O-CD2 3.41Å; F1326-W1345 HydrophobicContact CB-CE3 4.47Å; F1326-W1345 HydrophobicContact CB-CH2 4.48Å; F1326-W1345 HydrophobicContact CB-CZ3 3.85Å; F1326-W1345 HydrophobicContact CD2-CE3 4.45Å; F1326-W1345 AromaticContact CD2-CH2 3.46Å; F1326-W1345 HydrophobicContact CD2-CH2 3.46Å; F1326-W1345 VanDerWaalsContact CD2-CH2 3.46Å; F1326-W1345 HydrophobicContact CD2-CZ2 4.16Å; F1326-W1345 AromaticContact CD2-CZ3 3.65Å; F1326-W1345 HydrophobicContact CD2-CZ3 3.65Å; F1326-W1345 HydrophobicContact CE2-CH2 4.13Å; F1326-W1345 HydrophobicContact CG-CH2 4.37Å; F1326-W1345 HydrophobicContact CG-CZ3 4.21Å |
| 1327 | V | 69.7 | Low | 67.6 | Low | 102 Ų | 102 | 58.8 Ų | 58.8 | 62% | 0.618 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -63.3 | -48 | 176.8 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | P1323 V1325 R1329 F1330 | P1323-V1327 WeakPolarHBondContact O-CB 3.35Å; P1323-V1327 WeakPolarHBondContact O-CG2 3.37Å; P1323-V1327 PolarHBondContact O-N 2.97Å; V1325-V1327 PolarHBondContact O-N 2.93Å; V1327-R1329 PolarHBondContact O-N 3.29Å; V1327-F1330 PolarHBondContact O-N 2.98Å |
| 1328 | R | 71.6 | Confident | 68.2 | Low | 37 Ų | 37 | 62.4 Ų | 62.4 | 14% | 0.14 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.2 | -17.3 | -179.3 | -73 | -178.4 | 168.9 | 87.7 | -16.6 | 114 | E1247 R1324 V1325 F1330 D1331 M1341 | E1247-R1328 IonicContact OE2-CZ 2.74Å; E1247-R1328 IonicContact OE2-NE 3.4Å; E1247-R1328 PolarHBondContact OE2-NE 2.88Å; E1247-R1328 IonicContact OE2-NH2 3.06Å; E1247-R1328 PolarHBondContact OE2-NH2 3.1Å; R1324-R1328 WeakPolarHBondContact O-CB 3.46Å; R1324-R1328 WeakPolarHBondContact O-CG 3.44Å; R1324-R1328 PolarHBondContact O-N 2.9Å; V1325-R1328 PolarHBondContact O-N 3.43Å; R1328-F1330 PolarHBondContact O-N 3.19Å; R1328-D1331 WeakPolarHBondContact O-CB 3.36Å; R1328-D1331 PolarHBondContact O-N 2.89Å; R1328-M1341 HydrophobicContact CB-CB 4.4Å; R1328-M1341 HydrophobicContact CB-CG 3.77Å; R1328-M1341 HydrophobicContact CB-SD 4.09Å |
| 1329 | R | 64.9 | Low | 68.7 | Low | 21 Ų | 21 | 65.9 Ų | 65.9 | 8% | 0.079 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -14.2 | 168.7 | -81.2 | -176.2 | 65.8 | -141.4 | -0.8 | 114.4 | V1325 F1326 V1327 R1338 M1341 E1342 W1345 H1396 | V1325-R1329 WeakPolarHBondContact O-CG 3.3Å; V1325-R1329 PolarHBondContact O-N 2.89Å; F1326-R1329 WeakPolarHBondContact O-CB 3.41Å; F1326-R1329 PolarHBondContact O-N 2.91Å; V1327-R1329 PolarHBondContact O-N 3.29Å; R1329-R1338 VanDerWaalsContact O-CD 3.23Å; R1329-R1338 WeakPolarHBondContact O-CD 3.4Å; R1329-R1338 VanDerWaalsContact O-CG 3.3Å; R1329-R1338 WeakPolarHBondContact O-CG 3.47Å; R1329-R1338 PolarHBondContact O-NE 2.67Å; R1329-M1341 WeakPolarHBondContact CD-O 3.28Å; R1329-M1341 VanDerWaalsContact CG-C 3.48Å; R1329-M1341 HydrophobicContact CG-CB 3.82Å; R1329-M1341 WeakPolarHBondContact CG-O 3.16Å; R1329-E1342 HydrophobicContact CG-CB 4.36Å; R1329-E1342 IonicContact CZ-OE1 3.23Å; R1329-E1342 IonicContact NE-OE1 2.73Å; R1329-E1342 PolarHBondContact NE-OE1 3.28Å; R1329-E1342 IonicContact NH2-OE1 2.77Å; R1329-E1342 PolarHBondContact NH2-OE1 3.44Å; R1329-W1345 VanDerWaalsContact NH1-CD1 3.3Å; R1329-W1345 VanDerWaalsContact NH1-CE2 3.29Å; R1329-W1345 VanDerWaalsContact NH1-NE1 3.13Å; R1329-H1396 PolarHBondContact NH2-CE1 3.09Å |
| 1330 | F | 64 | Low | 69.4 | Low | 105 Ų | 105 | 65.8 Ų | 65.8 | 46% | 0.461 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 14.6 | 174.3 | -56.7 | -76.5 | 0 | 0 | 0 | 112.4 | F1326 V1327 R1328 F1332 | F1326-F1330 HydrophobicContact CD2-CE2 4.32Å; F1326-F1330 HydrophobicContact CE1-CE2 4.17Å; F1326-F1330 AromaticContact CE2-CE2 3.98Å; F1326-F1330 HydrophobicContact CE2-CE2 3.98Å; F1326-F1330 AromaticContact CZ-CE2 3.89Å; F1326-F1330 HydrophobicContact CZ-CE2 3.89Å; F1326-F1330 WeakPolarHBondContact O-CD2 3.41Å; V1327-F1330 PolarHBondContact O-N 2.98Å; R1328-F1330 PolarHBondContact O-N 3.19Å; F1330-F1332 HydrophobicContact CB-CE2 4.44Å; F1330-F1332 WeakPolarHBondContact O-CD2 2.99Å; F1330-F1332 PolarHBondContact O-N 3.09Å |
| 1331 | D | 64.8 | Low | 70 | Confident | 32 Ų | 32 | 60.8 Ų | 60.8 | 17% | 0.171 | 30% | 0.3 | C | S | . | . | trans | -72.4 | 89.9 | 169.2 | -175.2 | -15.4 | 0 | 0 | 0 | 110 | R1328 A1333 R1334 | R1328-D1331 WeakPolarHBondContact O-CB 3.36Å; R1328-D1331 PolarHBondContact O-N 2.89Å; D1331-A1333 VanDerWaalsContact C-N 3.27Å; D1331-A1333 PolarHBondContact O-N 3.36Å; D1331-A1333 WeakPolarHBondContact OD1-CB 3.4Å; D1331-A1333 PolarHBondContact OD1-N 3.17Å; D1331-A1333 VanDerWaalsContact OD1-N 3.13Å; D1331-R1334 PolarHBondContact OD1-N 3.05Å; D1331-R1334 IonicContact OD1-NE 3.48Å; D1331-R1334 IonicContact OD2-CZ 2.78Å; D1331-R1334 VanDerWaalsContact OD2-CZ 3.23Å; D1331-R1334 IonicContact OD2-NE 3.15Å; D1331-R1334 PolarHBondContact OD2-NE 3.4Å; D1331-R1334 IonicContact OD2-NH2 3.38Å; D1331-R1334 PolarHBondContact OD2-NH2 3.07Å | ||
| 1332 | F | 65.9 | Low | 70.2 | Confident | 153 Ų | 153 | 62.5 Ų | 62.5 | 67% | 0.671 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -17.2 | 178.5 | -71.9 | -82.1 | 0 | 0 | 0 | 113.7 | F1330 R1334 | F1330-F1332 HydrophobicContact CB-CE2 4.44Å; F1330-F1332 WeakPolarHBondContact O-CD2 2.99Å; F1330-F1332 PolarHBondContact O-N 3.09Å; F1332-R1334 VanDerWaalsContact C-N 3.29Å; F1332-R1334 PolarHBondContact O-N 2.71Å |
| 1333 | A | 71.9 | Confident | 70.5 | Confident | 89 Ų | 89 | 62.7 Ų | 62.7 | 74% | 0.736 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -23.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1331 | D1331-A1333 VanDerWaalsContact C-N 3.27Å; D1331-A1333 PolarHBondContact O-N 3.36Å; D1331-A1333 WeakPolarHBondContact OD1-CB 3.4Å; D1331-A1333 PolarHBondContact OD1-N 3.17Å; D1331-A1333 VanDerWaalsContact OD1-N 3.13Å |
| 1334 | R | 71.6 | Confident | 71.2 | Confident | 99 Ų | 99 | 60.6 Ų | 60.6 | 37% | 0.374 | 30% | 0.295 | S | S | . | . | trans | -127.7 | 74.9 | -172.6 | -62.2 | -174.5 | -66.8 | 177 | 5.3 | 111.9 | E1247 D1331 F1332 K1336 L1337 R1338 | E1247-R1334 IonicContact OE1-CZ 2.73Å; E1247-R1334 IonicContact OE1-NH1 3.72Å; E1247-R1334 PolarHBondContact OE1-NH1 3.4Å; E1247-R1334 IonicContact OE1-NH2 3.71Å; E1247-R1334 PolarHBondContact OE1-NH2 3.2Å; E1247-R1334 IonicContact OE2-NH1 2.61Å; E1247-R1334 IonicContact OE2-NH2 3.92Å; D1331-R1334 PolarHBondContact OD1-N 3.05Å; D1331-R1334 IonicContact OD1-NE 3.48Å; D1331-R1334 IonicContact OD2-CZ 2.78Å; D1331-R1334 VanDerWaalsContact OD2-CZ 3.23Å; D1331-R1334 IonicContact OD2-NE 3.15Å; D1331-R1334 PolarHBondContact OD2-NE 3.4Å; D1331-R1334 IonicContact OD2-NH2 3.38Å; D1331-R1334 PolarHBondContact OD2-NH2 3.07Å; F1332-R1334 VanDerWaalsContact C-N 3.29Å; F1332-R1334 PolarHBondContact O-N 2.71Å; R1334-K1336 VanDerWaalsContact C-N 3.33Å; R1334-K1336 PolarHBondContact O-N 3.39Å; R1334-L1337 HydrophobicContact CB-CB 3.9Å; R1334-L1337 HydrophobicContact CB-CD2 4.41Å; R1334-L1337 VanDerWaalsContact CZ-CD2 3.45Å; R1334-L1337 VanDerWaalsContact NH2-CD2 3.33Å; R1334-L1337 WeakPolarHBondContact O-CB 3.32Å; R1334-L1337 PolarHBondContact O-N 3.03Å; R1334-R1338 PolarHBondContact O-N 2.98Å | ||
| 1335 | P | 69.1 | Low | 71.4 | Confident | 94 Ų | 94 | 56.5 Ų | 56.5 | 61% | 0.61 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -59.2 | -34.4 | -171.1 | 20.8 | -33.1 | 0 | 0 | 0 | 114.8 | R1338 Q1339 | P1335-R1338 PolarHBondContact O-N 3.2Å; P1335-Q1339 PolarHBondContact O-N 2.91Å |
| 1336 | K | 70.9 | Confident | 71.2 | Confident | 144 Ų | 144 | 57.5 Ų | 57.5 | 63% | 0.626 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.9 | -42.6 | 173.1 | -75.5 | -156.7 | 170 | -144.2 | 0 | 112.3 | E1201 V1244 R1334 Q1339 A1340 | E1201-K1336 IonicContact OE1-NZ 3.2Å; E1201-K1336 PolarHBondContact OE1-NZ 3.31Å; V1244-K1336 HydrophobicContact CG2-CB 3.76Å; R1334-K1336 VanDerWaalsContact C-N 3.33Å; R1334-K1336 PolarHBondContact O-N 3.39Å; K1336-Q1339 PolarHBondContact O-N 2.88Å; K1336-A1340 PolarHBondContact O-N 3.48Å; K1336-A1340 VanDerWaalsContact O-N 3.09Å |
| 1337 | L | 77.4 | Confident | 70.8 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 176.4 | -178.2 | 65.4 | 0 | 0 | 0 | 111.1 | V1244 E1247 R1334 A1340 M1341 | V1244-L1337 HydrophobicContact CG1-CD1 4.16Å; V1244-L1337 HydrophobicContact CG2-CB 4.43Å; E1247-L1337 HydrophobicContact CB-CD1 3.6Å; E1247-L1337 HydrophobicContact CB-CD2 4.12Å; E1247-L1337 HydrophobicContact CG-CD1 4.21Å; E1247-L1337 HydrophobicContact CG-CD2 3.83Å; R1334-L1337 HydrophobicContact CB-CB 3.9Å; R1334-L1337 HydrophobicContact CB-CD2 4.41Å; R1334-L1337 VanDerWaalsContact CZ-CD2 3.45Å; R1334-L1337 VanDerWaalsContact NH2-CD2 3.33Å; R1334-L1337 WeakPolarHBondContact O-CB 3.32Å; R1334-L1337 PolarHBondContact O-N 3.03Å; L1337-A1340 WeakPolarHBondContact O-CB 3.33Å; L1337-A1340 PolarHBondContact O-N 3.26Å; L1337-M1341 HydrophobicContact CD1-CE 3.64Å; L1337-M1341 HydrophobicContact CD1-CG 4.28Å; L1337-M1341 HydrophobicContact CG-CE 4.43Å; L1337-M1341 HydrophobicContact CG-CG 4.31Å; L1337-M1341 WeakPolarHBondContact O-CB 3.5Å; L1337-M1341 VanDerWaalsContact O-CG 3.24Å; L1337-M1341 WeakPolarHBondContact O-CG 3.33Å; L1337-M1341 PolarHBondContact O-N 3.43Å |
| 1338 | R | 74.9 | Confident | 70.7 | Confident | 78 Ų | 78 | 49 Ų | 49 | 29% | 0.294 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.1 | -47.8 | 174.6 | 173.9 | 165.9 | 177.6 | -114.6 | -24.2 | 112.1 | R1329 R1334 P1335 A1340 M1341 E1342 | R1329-R1338 VanDerWaalsContact O-CD 3.23Å; R1329-R1338 WeakPolarHBondContact O-CD 3.4Å; R1329-R1338 VanDerWaalsContact O-CG 3.3Å; R1329-R1338 WeakPolarHBondContact O-CG 3.47Å; R1329-R1338 PolarHBondContact O-NE 2.67Å; R1334-R1338 PolarHBondContact O-N 2.98Å; P1335-R1338 PolarHBondContact O-N 3.2Å; R1338-A1340 VanDerWaalsContact C-N 3.34Å; R1338-A1340 PolarHBondContact O-N 3.1Å; R1338-M1341 PolarHBondContact O-N 2.98Å; R1338-E1342 VanDerWaalsContact O-CB 3.31Å; R1338-E1342 WeakPolarHBondContact O-CB 3.38Å; R1338-E1342 PolarHBondContact O-N 2.84Å |
| 1339 | Q | 71.2 | Confident | 70.1 | Confident | 85 Ų | 85 | 47.2 Ų | 47.2 | 40% | 0.397 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.9 | -41.5 | 176.6 | -175.5 | 63.8 | 75 | 0 | 0 | 112 | P1335 K1336 E1342 N1343 | P1335-Q1339 PolarHBondContact O-N 2.91Å; K1336-Q1339 PolarHBondContact O-N 2.88Å; Q1339-E1342 WeakPolarHBondContact O-CB 3.41Å; Q1339-E1342 PolarHBondContact O-N 3.41Å; Q1339-N1343 PolarHBondContact NE2-OD1 3.21Å; Q1339-N1343 VanDerWaalsContact NE2-OD1 3.08Å; Q1339-N1343 VanDerWaalsContact O-CG 3.23Å; Q1339-N1343 PolarHBondContact O-N 3.01Å; Q1339-N1343 PolarHBondContact O-OD1 2.89Å |
| 1340 | A | 75.9 | Confident | 69.8 | Low | 8 Ų | 8 | 48.1 Ų | 48.1 | 7% | 0.066 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.7 | -47 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1244 A1268 K1336 L1337 R1338 E1342 N1343 V1344 | V1244-A1340 HydrophobicContact CG1-CB 3.35Å; A1268-A1340 WeakPolarHBondContact CA-O 3.44Å; A1268-A1340 HydrophobicContact CB-CB 3.96Å; K1336-A1340 PolarHBondContact O-N 3.48Å; K1336-A1340 VanDerWaalsContact O-N 3.09Å; L1337-A1340 WeakPolarHBondContact O-CB 3.33Å; L1337-A1340 PolarHBondContact O-N 3.26Å; R1338-A1340 VanDerWaalsContact C-N 3.34Å; R1338-A1340 PolarHBondContact O-N 3.1Å; A1340-E1342 VanDerWaalsContact C-N 3.26Å; A1340-E1342 PolarHBondContact O-N 3.21Å; A1340-N1343 PolarHBondContact O-N 3.08Å; A1340-V1344 WeakPolarHBondContact O-CG2 3.36Å; A1340-V1344 PolarHBondContact O-N 3.23Å |
| 1341 | M | 78.3 | Confident | 69.3 | Low | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.7 | -29.3 | 177.2 | -66 | -73.9 | 163.7 | 0 | 0 | 112.2 | L1248 L1251 V1325 R1328 R1329 L1337 R1338 W1345 | L1248-M1341 HydrophobicContact CD2-CE 3.42Å; L1248-M1341 VanDerWaalsContact CD2-CE 3.42Å; L1248-M1341 HydrophobicContact CD2-SD 4.26Å; L1248-M1341 HydrophobicContact CG-CE 4.05Å; L1251-M1341 HydrophobicContact CD1-CE 3.6Å; L1251-M1341 HydrophobicContact CD1-SD 3.98Å; V1325-M1341 HydrophobicContact CG1-CB 4.42Å; V1325-M1341 WeakPolarHBondContact CG1-O 3.45Å; V1325-M1341 HydrophobicContact CG1-SD 4.4Å; V1325-M1341 HydrophobicContact CG2-SD 4.21Å; R1328-M1341 HydrophobicContact CB-CB 4.4Å; R1328-M1341 HydrophobicContact CB-CG 3.77Å; R1328-M1341 HydrophobicContact CB-SD 4.09Å; R1329-M1341 WeakPolarHBondContact CD-O 3.28Å; R1329-M1341 VanDerWaalsContact CG-C 3.48Å; R1329-M1341 HydrophobicContact CG-CB 3.82Å; R1329-M1341 WeakPolarHBondContact CG-O 3.16Å; L1337-M1341 HydrophobicContact CD1-CE 3.64Å; L1337-M1341 HydrophobicContact CD1-CG 4.28Å; L1337-M1341 HydrophobicContact CG-CE 4.43Å; L1337-M1341 HydrophobicContact CG-CG 4.31Å; L1337-M1341 WeakPolarHBondContact O-CB 3.5Å; L1337-M1341 VanDerWaalsContact O-CG 3.24Å; L1337-M1341 WeakPolarHBondContact O-CG 3.33Å; L1337-M1341 PolarHBondContact O-N 3.43Å; R1338-M1341 PolarHBondContact O-N 2.98Å; M1341-W1345 WeakPolarHBondContact O-CB 3.28Å; M1341-W1345 PolarHBondContact O-N 3.34Å |
| 1342 | E | 74.2 | Confident | 68.6 | Low | 36 Ų | 36 | 44.8 Ų | 44.8 | 17% | 0.168 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.2 | -42.5 | 172.4 | -172.1 | 140.6 | -95.6 | 0 | 0 | 111.8 | R1329 R1338 Q1339 A1340 W1345 L1346 H1396 | R1329-E1342 HydrophobicContact CG-CB 4.36Å; R1329-E1342 IonicContact CZ-OE1 3.23Å; R1329-E1342 IonicContact NE-OE1 2.73Å; R1329-E1342 PolarHBondContact NE-OE1 3.28Å; R1329-E1342 IonicContact NH2-OE1 2.77Å; R1329-E1342 PolarHBondContact NH2-OE1 3.44Å; R1338-E1342 VanDerWaalsContact O-CB 3.31Å; R1338-E1342 WeakPolarHBondContact O-CB 3.38Å; R1338-E1342 PolarHBondContact O-N 2.84Å; Q1339-E1342 WeakPolarHBondContact O-CB 3.41Å; Q1339-E1342 PolarHBondContact O-N 3.41Å; A1340-E1342 VanDerWaalsContact C-N 3.26Å; A1340-E1342 PolarHBondContact O-N 3.21Å; E1342-W1345 PolarHBondContact O-N 3.15Å; E1342-L1346 HydrophobicContact CG-CD1 4.32Å; E1342-L1346 VanDerWaalsContact O-CG 3.28Å; E1342-L1346 WeakPolarHBondContact O-CG 3.43Å; E1342-L1346 PolarHBondContact O-N 2.93Å; E1342-H1396 WeakPolarHBondContact CG-NE2 3.29Å; E1342-H1396 IonicContact OE1-NE2 2.78Å |
| 1343 | N | 72 | Confident | 67.7 | Low | 9 Ų | 9 | 39 Ų | 39 | 5% | 0.048 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.4 | -41.9 | 172.3 | -65.1 | -8.9 | 0 | 0 | 0 | 112 | L1267 A1268 Q1339 A1340 W1345 L1346 G1347 | L1267-N1343 CarbonylContact O-C 3.54Å; L1267-N1343 VanDerWaalsContact O-CB 3.3Å; L1267-N1343 WeakPolarHBondContact O-CB 3.36Å; L1267-N1343 VanDerWaalsContact O-O 3.08Å; A1268-N1343 WeakPolarHBondContact O-CB 3.18Å; A1268-N1343 PolarHBondContact O-ND2 3.12Å; Q1339-N1343 PolarHBondContact NE2-OD1 3.21Å; Q1339-N1343 VanDerWaalsContact NE2-OD1 3.08Å; Q1339-N1343 VanDerWaalsContact O-CG 3.23Å; Q1339-N1343 PolarHBondContact O-N 3.01Å; Q1339-N1343 PolarHBondContact O-OD1 2.89Å; A1340-N1343 PolarHBondContact O-N 3.08Å; N1343-W1345 VanDerWaalsContact C-N 3.27Å; N1343-W1345 PolarHBondContact O-N 3.2Å; N1343-L1346 CarbonylContact O-C 3.59Å; N1343-L1346 WeakPolarHBondContact O-CA 3.1Å; N1343-L1346 WeakPolarHBondContact O-CB 3.23Å; N1343-L1346 PolarHBondContact O-N 3.42Å; N1343-G1347 PolarHBondContact O-N 2.9Å |
| 1344 | V | 76.1 | Confident | 66 | Low | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.4 | -46.4 | 173.4 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | L1248 L1264 L1267 A1268 V1325 A1340 G1347 L1348 | L1248-V1344 HydrophobicContact CD2-CG2 4.23Å; L1264-V1344 HydrophobicContact CD2-CG1 4.15Å; L1264-V1344 WeakPolarHBondContact O-CG2 3.47Å; L1267-V1344 HydrophobicContact CB-CB 4.37Å; L1267-V1344 HydrophobicContact CB-CG1 4.47Å; L1267-V1344 HydrophobicContact CB-CG2 4.25Å; L1267-V1344 PolarHBondContact O-N 3.44Å; A1268-V1344 HydrophobicContact CB-CG2 3.73Å; V1325-V1344 HydrophobicContact CG1-CB 4.23Å; V1325-V1344 HydrophobicContact CG1-CG1 4.01Å; V1325-V1344 HydrophobicContact CG2-CG1 3.95Å; A1340-V1344 WeakPolarHBondContact O-CG2 3.36Å; A1340-V1344 PolarHBondContact O-N 3.23Å; V1344-G1347 PolarHBondContact O-N 2.57Å; V1344-L1348 HydrophobicContact CG1-CD1 4.34Å; V1344-L1348 WeakPolarHBondContact O-CG 3.46Å; V1344-L1348 PolarHBondContact O-N 2.94Å |
| 1345 | W | 72.2 | Confident | 64.1 | Low | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65 | -39.4 | 175.4 | 180 | -82.6 | 0 | 0 | 0 | 112.7 | V1322 V1325 F1326 R1329 M1341 E1342 N1343 G1347 L1348 V1349 H1396 V1399 V1403 | V1322-W1345 HydrophobicContact CG1-CZ3 4.33Å; V1325-W1345 HydrophobicContact CG1-CB 4.19Å; F1326-W1345 HydrophobicContact CB-CE3 4.47Å; F1326-W1345 HydrophobicContact CB-CH2 4.48Å; F1326-W1345 HydrophobicContact CB-CZ3 3.85Å; F1326-W1345 HydrophobicContact CD2-CE3 4.45Å; F1326-W1345 AromaticContact CD2-CH2 3.46Å; F1326-W1345 HydrophobicContact CD2-CH2 3.46Å; F1326-W1345 VanDerWaalsContact CD2-CH2 3.46Å; F1326-W1345 HydrophobicContact CD2-CZ2 4.16Å; F1326-W1345 AromaticContact CD2-CZ3 3.65Å; F1326-W1345 HydrophobicContact CD2-CZ3 3.65Å; F1326-W1345 HydrophobicContact CE2-CH2 4.13Å; F1326-W1345 HydrophobicContact CG-CH2 4.37Å; F1326-W1345 HydrophobicContact CG-CZ3 4.21Å; R1329-W1345 VanDerWaalsContact NH1-CD1 3.3Å; R1329-W1345 VanDerWaalsContact NH1-CE2 3.29Å; R1329-W1345 VanDerWaalsContact NH1-NE1 3.13Å; M1341-W1345 WeakPolarHBondContact O-CB 3.28Å; M1341-W1345 PolarHBondContact O-N 3.34Å; E1342-W1345 PolarHBondContact O-N 3.15Å; N1343-W1345 VanDerWaalsContact C-N 3.27Å; N1343-W1345 PolarHBondContact O-N 3.2Å; W1345-G1347 VanDerWaalsContact C-N 3.27Å; W1345-G1347 PolarHBondContact O-N 3.44Å; W1345-L1348 WeakPolarHBondContact O-CB 3.34Å; W1345-L1348 PolarHBondContact O-N 3.44Å; W1345-L1348 VanDerWaalsContact O-N 3.14Å; W1345-V1349 WeakPolarHBondContact O-CG2 3.21Å; W1345-V1349 PolarHBondContact O-N 3.3Å; W1345-H1396 AromaticContact CD1-CE1 3.6Å; W1345-H1396 AromaticContact CD1-ND1 3.45Å; W1345-H1396 AromaticContact NE1-ND1 3.69Å; W1345-V1399 HydrophobicContact CD2-CG1 4.02Å; W1345-V1399 HydrophobicContact CG-CG1 4.32Å; W1345-V1399 HydrophobicContact CZ2-CB 3.8Å; W1345-V1399 HydrophobicContact CZ2-CG1 3.84Å; W1345-V1399 HydrophobicContact CZ2-CG2 4.48Å; W1345-V1403 HydrophobicContact CE3-CG2 4.43Å; W1345-V1403 HydrophobicContact CH2-CB 4.1Å; W1345-V1403 HydrophobicContact CH2-CG1 3.81Å; W1345-V1403 HydrophobicContact CH2-CG2 3.64Å; W1345-V1403 HydrophobicContact CZ2-CG2 4.3Å; W1345-V1403 HydrophobicContact CZ3-CB 4.47Å; W1345-V1403 HydrophobicContact CZ3-CG1 4.16Å; W1345-V1403 HydrophobicContact CZ3-CG2 3.69Å |
| 1346 | L | 65.9 | Low | 62.2 | Low | 22 Ų | 22 | 36.5 Ų | 36.5 | 12% | 0.115 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.5 | -35 | 173.6 | -73 | 161.2 | 0 | 0 | 0 | 112.2 | P1272 E1342 N1343 V1349 L1350 L1395 H1396 | P1272-L1346 HydrophobicContact CG-CB 3.98Å; P1272-L1346 HydrophobicContact CG-CD1 4.2Å; E1342-L1346 HydrophobicContact CG-CD1 4.32Å; E1342-L1346 VanDerWaalsContact O-CG 3.28Å; E1342-L1346 WeakPolarHBondContact O-CG 3.43Å; E1342-L1346 PolarHBondContact O-N 2.93Å; N1343-L1346 CarbonylContact O-C 3.59Å; N1343-L1346 WeakPolarHBondContact O-CA 3.1Å; N1343-L1346 WeakPolarHBondContact O-CB 3.23Å; N1343-L1346 PolarHBondContact O-N 3.42Å; L1346-V1349 WeakPolarHBondContact O-CG2 3.35Å; L1346-L1350 WeakPolarHBondContact O-CG 3.25Å; L1346-L1350 PolarHBondContact O-N 2.75Å; L1346-L1395 HydrophobicContact CD2-CB 4.12Å; L1346-L1395 HydrophobicContact CD2-CD2 3.74Å; L1346-L1395 HydrophobicContact CD2-CG 4.07Å; L1346-H1396 VanDerWaalsContact CD2-CE1 3.49Å; L1346-H1396 WeakPolarHBondContact CD2-CE1 3.32Å; L1346-H1396 VanDerWaalsContact CG-CE1 3.5Å; L1346-H1396 WeakPolarHBondContact CG-CE1 3.42Å |
| 1347 | G | 64.2 | Low | 60 | Low | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -71.4 | -38.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y1303 V1307 N1343 V1344 W1345 V1349 L1350 Y1351 | Y1303-G1347 WeakPolarHBondContact OH-CA 3.39Å; Y1303-G1347 PolarHBondContact OH-N 3.43Å; V1307-G1347 WeakPolarHBondContact CG1-O 3.3Å; N1343-G1347 PolarHBondContact O-N 2.9Å; V1344-G1347 PolarHBondContact O-N 2.57Å; W1345-G1347 VanDerWaalsContact C-N 3.27Å; W1345-G1347 PolarHBondContact O-N 3.44Å; G1347-V1349 VanDerWaalsContact C-N 3.3Å; G1347-V1349 PolarHBondContact O-N 2.97Å; G1347-L1350 PolarHBondContact O-N 2.71Å; G1347-Y1351 PolarHBondContact O-N 3.48Å; G1347-Y1351 VanDerWaalsContact O-N 3.13Å |
| 1348 | L | 67 | Low | 57.4 | Low | 7 Ų | 7 | 39.2 Ų | 39.2 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63 | -33.9 | 174.4 | -69.9 | 177 | 0 | 0 | 0 | 112.3 | L1314 L1318 L1321 V1322 V1344 W1345 A1352 | L1314-L1348 HydrophobicContact CD2-CD2 3.7Å; L1318-L1348 HydrophobicContact CD2-CD2 3.71Å; L1321-L1348 HydrophobicContact CD2-CD1 4.34Å; V1322-L1348 HydrophobicContact CG2-CD1 4.22Å; V1344-L1348 HydrophobicContact CG1-CD1 4.34Å; V1344-L1348 WeakPolarHBondContact O-CG 3.46Å; V1344-L1348 PolarHBondContact O-N 2.94Å; W1345-L1348 WeakPolarHBondContact O-CB 3.34Å; W1345-L1348 PolarHBondContact O-N 3.44Å; W1345-L1348 VanDerWaalsContact O-N 3.14Å; L1348-A1352 WeakPolarHBondContact O-CB 3.43Å; L1348-A1352 PolarHBondContact O-N 3.22Å; L1348-A1352 VanDerWaalsContact O-N 3.16Å |
| 1349 | V | 60.5 | Low | 55 | Low | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.9 | -49.3 | 169.7 | -153 | 0 | 0 | 0 | 0 | 111.6 | W1345 L1346 G1347 Y1351 A1352 T1353 L1395 V1399 | W1345-V1349 WeakPolarHBondContact O-CG2 3.21Å; W1345-V1349 PolarHBondContact O-N 3.3Å; L1346-V1349 WeakPolarHBondContact O-CG2 3.35Å; G1347-V1349 VanDerWaalsContact C-N 3.3Å; G1347-V1349 PolarHBondContact O-N 2.97Å; V1349-Y1351 PolarHBondContact O-N 3.46Å; V1349-A1352 PolarHBondContact O-N 2.82Å; V1349-T1353 HydrophobicContact CG1-CG2 3.74Å; V1349-T1353 WeakPolarHBondContact O-CB 3.39Å; V1349-T1353 WeakPolarHBondContact O-CG2 3.4Å; V1349-T1353 PolarHBondContact O-N 2.94Å; V1349-T1353 PolarHBondContact O-OG1 3.19Å; V1349-L1395 HydrophobicContact CB-CD1 4.18Å; V1349-L1395 HydrophobicContact CB-CG 4.17Å; V1349-L1395 HydrophobicContact CG1-CD1 3.95Å; V1349-L1395 HydrophobicContact CG1-CG 4.24Å; V1349-L1395 HydrophobicContact CG2-CG 4.14Å; V1349-V1399 HydrophobicContact CB-CB 4.33Å; V1349-V1399 HydrophobicContact CB-CG1 4.03Å; V1349-V1399 HydrophobicContact CB-CG2 3.93Å; V1349-V1399 HydrophobicContact CG1-CB 4.05Å; V1349-V1399 HydrophobicContact CG1-CG1 4.23Å; V1349-V1399 HydrophobicContact CG1-CG2 3.63Å; V1349-V1399 HydrophobicContact CG2-CB 3.84Å; V1349-V1399 HydrophobicContact CG2-CG1 3.55Å; V1349-V1399 HydrophobicContact CG2-CG2 3.18Å |
| 1350 | L | 57.4 | Low | 52.6 | Low | 41 Ų | 41 | 49.1 Ų | 49.1 | 22% | 0.215 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -70.8 | -24 | -168.8 | -75.3 | 166.7 | 0 | 0 | 0 | 111.8 | Y1303 V1307 L1346 G1347 N1354 L1395 | Y1303-L1350 HydrophobicContact CD1-CD1 4.49Å; Y1303-L1350 HydrophobicContact CE1-CD1 3.57Å; V1307-L1350 HydrophobicContact CG1-CB 3.94Å; L1346-L1350 WeakPolarHBondContact O-CG 3.25Å; L1346-L1350 PolarHBondContact O-N 2.75Å; G1347-L1350 PolarHBondContact O-N 2.71Å; L1350-N1354 WeakPolarHBondContact O-CB 3.35Å; L1350-N1354 PolarHBondContact O-ND2 3Å; L1350-L1395 HydrophobicContact CD1-CD2 3.89Å; L1350-L1395 HydrophobicContact CD2-CD1 3.83Å; L1350-L1395 HydrophobicContact CD2-CD2 4.06Å; L1350-L1395 HydrophobicContact CG-CD1 4.21Å; L1350-L1395 HydrophobicContact CG-CD2 3.84Å |
| 1351 | Y | 53.3 | Low | 50.1 | Low | 53 Ų | 53 | 53.6 Ų | 53.6 | 21% | 0.208 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.5 | -55.9 | 163.3 | 175 | -120.3 | 0 | 0 | 0 | 111.7 | G1311 R1312 A1315 L1318 G1347 V1349 T1353 N1354 | G1311-Y1351 VanDerWaalsContact O-CE1 3.26Å; G1311-Y1351 WeakPolarHBondContact O-CE1 3.4Å; R1312-Y1351 HydrophobicContact CG-CE2 3.99Å; A1315-Y1351 HydrophobicContact CB-CE1 4.46Å; L1318-Y1351 HydrophobicContact CD1-CE1 4.45Å; G1347-Y1351 PolarHBondContact O-N 3.48Å; G1347-Y1351 VanDerWaalsContact O-N 3.13Å; V1349-Y1351 PolarHBondContact O-N 3.46Å; Y1351-T1353 PolarHBondContact O-N 3.04Å; Y1351-N1354 PolarHBondContact O-N 2.95Å |
| 1352 | A | 50.9 | Low | 47.4 | Very low | 14 Ų | 14 | 59.7 Ų | 59.7 | 12% | 0.116 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.5 | -41.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1348 V1349 S1355 M1402 | L1348-A1352 WeakPolarHBondContact O-CB 3.43Å; L1348-A1352 PolarHBondContact O-N 3.22Å; L1348-A1352 VanDerWaalsContact O-N 3.16Å; V1349-A1352 PolarHBondContact O-N 2.82Å; A1352-S1355 PolarHBondContact O-OG 3.24Å; A1352-M1402 HydrophobicContact CB-CB 4.03Å; A1352-M1402 HydrophobicContact CB-CE 3.84Å; A1352-M1402 HydrophobicContact CB-CG 4.47Å; A1352-M1402 HydrophobicContact CB-SD 3.71Å; A1352-M1402 VanDerWaalsContact O-CE 3.26Å; A1352-M1402 WeakPolarHBondContact O-CE 3.46Å |
| 1353 | T | 46.3 | Very low | 44.8 | Very low | 31 Ų | 31 | 64.9 Ų | 64.9 | 19% | 0.19 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -75.3 | -28.4 | -176.4 | 49.7 | 0 | 0 | 0 | 0 | 114.1 | V1349 Y1351 S1355 A1356 L1398 | V1349-T1353 HydrophobicContact CG1-CG2 3.74Å; V1349-T1353 WeakPolarHBondContact O-CB 3.39Å; V1349-T1353 WeakPolarHBondContact O-CG2 3.4Å; V1349-T1353 PolarHBondContact O-N 2.94Å; V1349-T1353 PolarHBondContact O-OG1 3.19Å; Y1351-T1353 PolarHBondContact O-N 3.04Å; T1353-S1355 VanDerWaalsContact C-N 3.27Å; T1353-S1355 PolarHBondContact O-N 3.19Å; T1353-A1356 PolarHBondContact O-N 2.86Å; T1353-L1398 HydrophobicContact CG2-CB 4.32Å; T1353-L1398 HydrophobicContact CG2-CD2 3.5Å; T1353-L1398 VanDerWaalsContact CG2-CD2 3.5Å; T1353-L1398 HydrophobicContact CG2-CG 3.71Å |
| 1354 | N | 37.5 | Very low | 42.4 | Very low | 49 Ų | 49 | 69.8 Ų | 69.8 | 26% | 0.262 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -7.4 | -175.4 | -102.3 | -70.6 | 0 | 0 | 0 | 114.8 | R1308 L1350 Y1351 A1356 | R1308-N1354 HydrophobicContact CG-CB 4.46Å; R1308-N1354 PolarHBondContact NE-OD1 3.42Å; R1308-N1354 PolarHBondContact NH2-OD1 3.34Å; L1350-N1354 WeakPolarHBondContact O-CB 3.35Å; L1350-N1354 PolarHBondContact O-ND2 3Å; Y1351-N1354 PolarHBondContact O-N 2.95Å; N1354-A1356 VanDerWaalsContact C-N 3.3Å |
| 1355 | S | 31.1 | Very low | 39.7 | Very low | 101 Ų | 101 | 74.5 Ų | 74.5 | 71% | 0.706 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -1 | 173.7 | 43.2 | 0 | 0 | 0 | 0 | 114.2 | A1352 T1353 | A1352-S1355 PolarHBondContact O-OG 3.24Å; T1353-S1355 VanDerWaalsContact C-N 3.27Å; T1353-S1355 PolarHBondContact O-N 3.19Å |
| 1356 | A | 28.1 | Very low | 37.2 | Very low | 80 Ų | 80 | 84.7 Ų | 84.7 | 66% | 0.661 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | -40.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | T1353 N1354 | T1353-A1356 PolarHBondContact O-N 2.86Å; N1354-A1356 VanDerWaalsContact C-N 3.3Å |
| 1357 | T | 26.1 | Very low | 35.1 | Very low | 110 Ų | 110 | 89 Ų | 89 | 68% | 0.675 | 51% | 0.509 | S | S | * | . | trans | -155.9 | 139.6 | 175.4 | 31.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1358 | P | 22.7 | Very low | 33 | Very low | 97 Ų | 97 | 97 Ų | 97 | 63% | 0.63 | 55% | 0.552 | S | S | * | * | trans | -111.8 | 71.5 | -177.8 | 40.1 | -32.6 | 0 | 0 | 0 | 114.1 | ||||
| 1359 | F | 24.1 | Very low | 30.8 | Very low | 197 Ų | 197 | 104.5 Ų | 104.5 | 86% | 0.864 | 59% | 0.59 | S | S | * | * | trans | -143.8 | 61.8 | 177.4 | -100.3 | -68.7 | 0 | 0 | 0 | 115.4 | ||||
| 1360 | I | 21.6 | Very low | 28.9 | Very low | 174 Ų | 174 | 109.8 Ų | 109.8 | 89% | 0.892 | 63% | 0.627 | S | S | * | * | trans | -136.6 | 80.5 | 156.7 | -51.9 | -179.4 | 0 | 0 | 0 | 109.3 | ||||
| 1361 | S | 22 | Very low | 27.1 | Very low | 102 Ų | 102 | 111.8 Ų | 111.8 | 71% | 0.713 | 66% | 0.657 | S | S | * | * | trans | -94.5 | 130.7 | 168.4 | -67.9 | 0 | 0 | 0 | 0 | 109.8 | N1363 | S1361-N1363 PolarHBondContact O-N 3.03Š| ||
| 1362 | T | 21.9 | Very low | 25.5 | Very low | 127 Ų | 127 | 115.1 Ų | 115.1 | 78% | 0.779 | 69% | 0.689 | S | S | * | * | trans | -57.2 | 116.4 | -168 | 45.6 | 0 | 0 | 0 | 0 | 114.3 | T1364 | T1362-T1364 PolarHBondContact O-N 3.29Š| ||
| 1363 | N | 20.4 | Very low | 23.9 | Very low | 146 Ų | 146 | 120.2 Ų | 120.2 | 78% | 0.781 | 72% | 0.723 | S | S | * | * | trans | -97.5 | 82.5 | 173.6 | -165 | -4.4 | 0 | 0 | 0 | 111.1 | S1361 | S1361-N1363 PolarHBondContact O-N 3.03Š| ||
| 1364 | T | 20.6 | Very low | 22.7 | Very low | 112 Ų | 112 | 123.8 Ų | 123.8 | 69% | 0.687 | 75% | 0.749 | S | S | * | * | trans | -113.6 | 88.3 | 176.2 | 46 | 0 | 0 | 0 | 0 | 110.8 | T1362 | T1362-T1364 PolarHBondContact O-N 3.29Š| ||
| 1365 | S | 20.8 | Very low | 21.7 | Very low | 98 Ų | 98 | 127 Ų | 127 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 135.6 | 174.1 | 49.3 | 0 | 0 | 0 | 0 | 111.3 | ||
| 1366 | Y | 19.6 | Very low | 21.1 | Very low | 217 Ų | 217 | 129.2 Ų | 129.2 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 132.4 | -172.9 | -71.4 | -101.6 | 0 | 0 | 0 | 112.1 | ||
| 1367 | P | 21.6 | Very low | 20.8 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 118.4 | 166.8 | 31.4 | -31 | 0 | 0 | 0 | 110.8 | ||
| 1368 | N | 19.4 | Very low | 20.5 | Very low | 168 Ų | 168 | 132.2 Ų | 132.2 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 129.2 | 167.2 | -102.1 | -1.3 | 0 | 0 | 0 | 109.7 | ||
| 1369 | I | 20.8 | Very low | 20.7 | Very low | 165 Ų | 165 | 132.7 Ų | 132.7 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -111.7 | 116 | 169.5 | -62.5 | 179.3 | 0 | 0 | 0 | 108.6 | ||||
| 1370 | S | 20.8 | Very low | 20.6 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | -86.1 | 134.1 | 173.8 | 40.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1371 | G | 19 | Very low | 20.5 | Very low | 82 Ų | 82 | 128 Ų | 128 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | -72.1 | 141.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1372 | S | 19.6 | Very low | 20.5 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | -142.3 | 155.3 | 162.1 | 52.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1373 | S | 17.9 | Very low | 20.4 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -137.3 | 125.2 | -162 | -178.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1374 | S | 20.4 | Very low | 20.5 | Very low | 106 Ų | 106 | 133.2 Ų | 133.2 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -168.4 | 95.9 | 162.3 | 36.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1375 | T | 17.8 | Very low | 20.6 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 71% | 0.712 | 80% | 0.803 | S | S | * | * | 42.2 | 119.4 | 127.1 | 49.7 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 1376 | I | 18.6 | Very low | 20.5 | Very low | 149 Ų | 149 | 139.6 Ų | 139.6 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | 72.6 | 104.3 | 131.7 | -50.7 | 161.6 | 0 | 0 | 0 | 119.4 | ||||
| 1377 | T | 21.1 | Very low | 20.4 | Very low | 143 Ų | 143 | 132.9 Ų | 132.9 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | -171.9 | 170.2 | 116 | 18.1 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1378 | S | 20.8 | Very low | 20.5 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -141.4 | 174.1 | -176.2 | 69.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1379 | P | 26.1 | Very low | 20.4 | Very low | 107 Ų | 107 | 125.9 Ų | 125.9 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | cis | -135 | -141.6 | 1.4 | 41 | -20 | 0 | 0 | 0 | 112.9 | ||||
| 1380 | T | 21.5 | Very low | 20.7 | Very low | 124 Ų | 124 | 122.6 Ų | 122.6 | 76% | 0.761 | 75% | 0.752 | S | S | * | * | trans | 75.6 | 97.8 | 160.3 | 35 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1381 | N | 20.1 | Very low | 20.7 | Very low | 148 Ų | 148 | 120.4 Ų | 120.4 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | trans | 20.4 | 119 | 134.7 | -65.6 | -17.7 | 0 | 0 | 0 | 120.7 | ||||
| 1382 | Q | 22.1 | Very low | 20.8 | Very low | 193 Ų | 193 | 119.4 Ų | 119.4 | 90% | 0.902 | 72% | 0.719 | S | S | * | * | -156.1 | 138.8 | 118 | -114.9 | 165.7 | 71.6 | 0 | 0 | 111.6 | |||||
| 1383 | N | 19.3 | Very low | 21.1 | Very low | 161 Ų | 161 | 119.5 Ų | 119.5 | 86% | 0.861 | 71% | 0.71 | S | S | * | * | trans | -85.7 | 118.9 | -176.7 | -75 | -39.7 | 0 | 0 | 0 | 111.2 | ||||
| 1384 | T | 23 | Very low | 21.7 | Very low | 132 Ų | 132 | 119.3 Ų | 119.3 | 81% | 0.81 | 71% | 0.708 | S | S | * | * | trans | -129 | 114.3 | 164 | -40.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1385 | Q | 21.5 | Very low | 22 | Very low | 182 Ų | 182 | 116.6 Ų | 116.6 | 85% | 0.85 | 69% | 0.685 | S | S | * | * | trans | -82.7 | 130.5 | -167.5 | -66.2 | 173.5 | -20 | 0 | 0 | 111.8 | ||||
| 1386 | L | 18.5 | Very low | 22.5 | Very low | 162 Ų | 162 | 113 Ų | 113 | 85% | 0.848 | 66% | 0.66 | S | S | * | * | trans | -95.7 | 114 | 177.5 | -82.6 | 164.3 | 0 | 0 | 0 | 111.5 | ||||
| 1387 | S | 18.7 | Very low | 23.3 | Very low | 75 Ų | 75 | 107 Ų | 107 | 52% | 0.524 | 63% | 0.632 | S | S | . | * | trans | -139.3 | 103.8 | 175.9 | 59.6 | 0 | 0 | 0 | 0 | 111.7 | N1279 | N1279-S1387 VanDerWaalsContact OD1-CA 3.28Å; N1279-S1387 WeakPolarHBondContact OD1-CA 3.28Å; N1279-S1387 WeakPolarHBondContact OD1-CB 3.49Å | ||
| 1388 | S | 23.2 | Very low | 23.6 | Very low | 100 Ų | 100 | 104.8 Ų | 104.8 | 70% | 0.699 | 61% | 0.614 | S | S | * | * | trans | -173.7 | 79.3 | 167.6 | 59.2 | 0 | 0 | 0 | 0 | 113.3 | T1278 | T1278-S1388 PolarHBondContact OG1-N 3.11Š| ||
| 1389 | S | 18.2 | Very low | 24 | Very low | 35 Ų | 35 | 99.7 Ų | 99.7 | 25% | 0.245 | 58% | 0.578 | C | S | . | * | P | Polyproline II helix | trans | -87.7 | 119.2 | 160.6 | 54.6 | 0 | 0 | 0 | 0 | 108.9 | N1277 T1278 A1391 | N1277-S1389 PolarHBondContact N-OG 3.45Å; T1278-S1389 PolarHBondContact N-OG 3.15Å; T1278-S1389 PolarHBondContact OG1-N 3.4Å; T1278-S1389 PolarHBondContact OG1-OG 2.93Å; S1389-A1391 PolarHBondContact O-N 3.44Å |
| 1390 | P | 25.9 | Very low | 24.2 | Very low | 96 Ų | 96 | 96.2 Ų | 96.2 | 62% | 0.623 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 118.1 | -179.5 | 28.2 | -33.6 | 0 | 0 | 0 | 110.9 | S1275 | S1275-P1390 WeakPolarHBondContact CB-O 3.25Å; S1275-P1390 CarbonylContact O-C 3.58Å; S1275-P1390 WeakPolarHBondContact OG-CD 3.29Å; S1275-P1390 PolarHBondContact OG-O 3.47Å |
| 1391 | A | 21.6 | Very low | 24.8 | Very low | 64 Ų | 64 | 93.3 Ų | 93.3 | 53% | 0.529 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 162.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | S1389 | S1389-A1391 PolarHBondContact O-N 3.44Š|
| 1392 | P | 22.1 | Very low | 25.2 | Very low | 61 Ų | 61 | 89.7 Ų | 89.7 | 40% | 0.396 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 155.9 | 167.3 | 26.6 | -28.6 | 0 | 0 | 0 | 110.9 | T1274 | T1274-P1392 HydrophobicContact CG2-CB 3.69Å; T1274-P1392 HydrophobicContact CG2-CG 4.22Å; T1274-P1392 WeakPolarHBondContact O-CD 3.48Å |
| 1393 | N | 25.8 | Very low | 25.8 | Very low | 127 Ų | 127 | 81.7 Ų | 81.7 | 68% | 0.679 | 48% | 0.478 | S | S | * | . | trans | -167.2 | -11.6 | 148.1 | -99.8 | -35.7 | 0 | 0 | 0 | 114.6 | L1395 H1396 | N1393-L1395 PolarHBondContact O-N 2.85Å; N1393-H1396 PolarHBondContact O-N 2.79Å; N1393-H1396 VanDerWaalsContact O-N 3.17Å | ||
| 1394 | S | 30.5 | Very low | 26.4 | Very low | 115 Ų | 115 | 78.9 Ų | 78.9 | 80% | 0.804 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -59.3 | -29.1 | -178.3 | 48.9 | 0 | 0 | 0 | 0 | 114.7 | H1396 | S1394-H1396 VanDerWaalsContact C-N 3.3Å; S1394-H1396 PolarHBondContact O-N 2.99Å |
| 1395 | L | 26.8 | Very low | 26.8 | Very low | 49 Ų | 49 | 76 Ų | 76 | 26% | 0.257 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -72.1 | -19.8 | -179.6 | -164.3 | 63.2 | 0 | 0 | 0 | 113.3 | L1346 V1349 L1350 N1393 V1399 | L1346-L1395 HydrophobicContact CD2-CB 4.12Å; L1346-L1395 HydrophobicContact CD2-CD2 3.74Å; L1346-L1395 HydrophobicContact CD2-CG 4.07Å; V1349-L1395 HydrophobicContact CB-CD1 4.18Å; V1349-L1395 HydrophobicContact CB-CG 4.17Å; V1349-L1395 HydrophobicContact CG1-CD1 3.95Å; V1349-L1395 HydrophobicContact CG1-CG 4.24Å; V1349-L1395 HydrophobicContact CG2-CG 4.14Å; L1350-L1395 HydrophobicContact CD1-CD2 3.89Å; L1350-L1395 HydrophobicContact CD2-CD1 3.83Å; L1350-L1395 HydrophobicContact CD2-CD2 4.06Å; L1350-L1395 HydrophobicContact CG-CD1 4.21Å; L1350-L1395 HydrophobicContact CG-CD2 3.84Å; N1393-L1395 PolarHBondContact O-N 2.85Å; L1395-V1399 VanDerWaalsContact O-CG2 3.32Å; L1395-V1399 WeakPolarHBondContact O-CG2 3.49Å |
| 1396 | H | 28 | Very low | 27.3 | Very low | 41 Ų | 41 | 70.8 Ų | 70.8 | 19% | 0.19 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -84.8 | -9.1 | -172 | -96.6 | -41 | 0 | 0 | 0 | 115.9 | R1329 E1342 W1345 L1346 N1393 S1394 | R1329-H1396 PolarHBondContact NH2-CE1 3.09Å; E1342-H1396 WeakPolarHBondContact CG-NE2 3.29Å; E1342-H1396 IonicContact OE1-NE2 2.78Å; W1345-H1396 AromaticContact CD1-CE1 3.6Å; W1345-H1396 AromaticContact CD1-ND1 3.45Å; W1345-H1396 AromaticContact NE1-ND1 3.69Å; L1346-H1396 VanDerWaalsContact CD2-CE1 3.49Å; L1346-H1396 WeakPolarHBondContact CD2-CE1 3.32Å; L1346-H1396 VanDerWaalsContact CG-CE1 3.5Å; L1346-H1396 WeakPolarHBondContact CG-CE1 3.42Å; N1393-H1396 PolarHBondContact O-N 2.79Å; N1393-H1396 VanDerWaalsContact O-N 3.17Å; S1394-H1396 VanDerWaalsContact C-N 3.3Å; S1394-H1396 PolarHBondContact O-N 2.99Å |
| 1397 | S | 34 | Very low | 27.9 | Very low | 24 Ų | 24 | 67.4 Ų | 67.4 | 17% | 0.168 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -63.2 | 175.3 | -163 | 0 | 0 | 0 | 0 | 111 | V1399 S1400 N1686 | S1397-V1399 PolarHBondContact O-N 3.39Å; S1397-S1400 PolarHBondContact O-N 3.17Å; S1397-N1686 PolarHBondContact O-ND2 2.85Å; S1397-N1686 PolarHBondContact O-OD1 2.68Å; S1397-N1686 WeakPolarHBondContact OG-CA 3.34Å; S1397-N1686 WeakPolarHBondContact OG-CB 3.35Å; S1397-N1686 PolarHBondContact OG-OD1 3.44Å |
| 1398 | L | 28.6 | Very low | 28.4 | Very low | 96 Ų | 96 | 68.4 Ų | 68.4 | 50% | 0.503 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -9.8 | -168.1 | -166.7 | 57 | 0 | 0 | 0 | 115.3 | T1353 | T1353-L1398 HydrophobicContact CG2-CB 4.32Å; T1353-L1398 HydrophobicContact CG2-CD2 3.5Å; T1353-L1398 VanDerWaalsContact CG2-CD2 3.5Å; T1353-L1398 HydrophobicContact CG2-CG 3.71Å |
| 1399 | V | 28 | Very low | 28.8 | Very low | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.012 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 171.6 | -148.2 | 0 | 0 | 0 | 0 | 112.9 | W1345 V1349 L1395 S1397 E1401 M1402 V1403 | W1345-V1399 HydrophobicContact CD2-CG1 4.02Å; W1345-V1399 HydrophobicContact CG-CG1 4.32Å; W1345-V1399 HydrophobicContact CZ2-CB 3.8Å; W1345-V1399 HydrophobicContact CZ2-CG1 3.84Å; W1345-V1399 HydrophobicContact CZ2-CG2 4.48Å; V1349-V1399 HydrophobicContact CB-CB 4.33Å; V1349-V1399 HydrophobicContact CB-CG1 4.03Å; V1349-V1399 HydrophobicContact CB-CG2 3.93Å; V1349-V1399 HydrophobicContact CG1-CB 4.05Å; V1349-V1399 HydrophobicContact CG1-CG1 4.23Å; V1349-V1399 HydrophobicContact CG1-CG2 3.63Å; V1349-V1399 HydrophobicContact CG2-CB 3.84Å; V1349-V1399 HydrophobicContact CG2-CG1 3.55Å; V1349-V1399 HydrophobicContact CG2-CG2 3.18Å; L1395-V1399 VanDerWaalsContact O-CG2 3.32Å; L1395-V1399 WeakPolarHBondContact O-CG2 3.49Å; S1397-V1399 PolarHBondContact O-N 3.39Å; V1399-E1401 PolarHBondContact O-N 3.25Å; V1399-E1401 VanDerWaalsContact O-N 3.14Å; V1399-M1402 PolarHBondContact O-N 3.31Å; V1399-V1403 HydrophobicContact CG1-CG2 4.22Å; V1399-V1403 WeakPolarHBondContact O-CB 3.26Å; V1399-V1403 WeakPolarHBondContact O-CG2 3.35Å; V1399-V1403 PolarHBondContact O-N 3Å |
| 1400 | S | 30.8 | Very low | 29.3 | Very low | 34 Ų | 34 | 66.9 Ų | 66.9 | 24% | 0.238 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -71.9 | -20.6 | -152.6 | -157.5 | 0 | 0 | 0 | 0 | 112.9 | S1397 N1686 | S1397-S1400 PolarHBondContact O-N 3.17Å; S1400-N1686 WeakPolarHBondContact CB-ND2 3.41Å |
| 1401 | E | 33.9 | Very low | 29.6 | Very low | 63 Ų | 63 | 65.1 Ų | 65.1 | 29% | 0.294 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -84.7 | -49.2 | -179.8 | -49.5 | -164.2 | 88.9 | 0 | 0 | 112.6 | V1399 V1403 E1404 A1405 P1687 A1688 | V1399-E1401 PolarHBondContact O-N 3.25Å; V1399-E1401 VanDerWaalsContact O-N 3.14Å; E1401-V1403 PolarHBondContact O-N 3.28Å; E1401-E1404 WeakPolarHBondContact O-CB 3.38Å; E1401-E1404 PolarHBondContact O-N 3.23Å; E1401-A1405 PolarHBondContact O-N 3.23Å; E1401-P1687 VanDerWaalsContact CD-CB 3.49Å; E1401-P1687 WeakPolarHBondContact OE1-CB 3.46Å; E1401-P1687 VanDerWaalsContact OE2-CB 3.3Å; E1401-P1687 WeakPolarHBondContact OE2-CB 3.18Å; E1401-P1687 WeakPolarHBondContact OE2-CD 3.19Å; E1401-P1687 VanDerWaalsContact OE2-CG 3.25Å; E1401-P1687 WeakPolarHBondContact OE2-CG 3.41Å; E1401-A1688 HydrophobicContact CG-CB 3.98Å; E1401-A1688 PolarHBondContact OE1-N 3.25Å |
| 1402 | M | 29.7 | Very low | 30.1 | Very low | 71 Ų | 71 | 65.5 Ų | 65.5 | 35% | 0.35 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.1 | -23.2 | -179.6 | -68.4 | -171.5 | 67.1 | 0 | 0 | 112.1 | A1352 V1399 H1406 | A1352-M1402 HydrophobicContact CB-CB 4.03Å; A1352-M1402 HydrophobicContact CB-CE 3.84Å; A1352-M1402 HydrophobicContact CB-CG 4.47Å; A1352-M1402 HydrophobicContact CB-SD 3.71Å; A1352-M1402 VanDerWaalsContact O-CE 3.26Å; A1352-M1402 WeakPolarHBondContact O-CE 3.46Å; V1399-M1402 PolarHBondContact O-N 3.31Å; M1402-H1406 PolarHBondContact O-CD2 2.77Å |
| 1403 | V | 33.6 | Very low | 30.5 | Very low | 25 Ų | 25 | 67.3 Ų | 67.3 | 15% | 0.152 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.7 | -43.2 | 166.4 | 142.4 | 0 | 0 | 0 | 0 | 113.1 | V1322 W1345 V1399 E1401 | V1322-V1403 HydrophobicContact CG1-CB 3.8Å; V1322-V1403 HydrophobicContact CG1-CG1 3.29Å; V1322-V1403 HydrophobicContact CG1-CG2 3.58Å; V1322-V1403 HydrophobicContact CG2-CG2 4.15Å; W1345-V1403 HydrophobicContact CE3-CG2 4.43Å; W1345-V1403 HydrophobicContact CH2-CB 4.1Å; W1345-V1403 HydrophobicContact CH2-CG1 3.81Å; W1345-V1403 HydrophobicContact CH2-CG2 3.64Å; W1345-V1403 HydrophobicContact CZ2-CG2 4.3Å; W1345-V1403 HydrophobicContact CZ3-CB 4.47Å; W1345-V1403 HydrophobicContact CZ3-CG1 4.16Å; W1345-V1403 HydrophobicContact CZ3-CG2 3.69Å; V1399-V1403 HydrophobicContact CG1-CG2 4.22Å; V1399-V1403 WeakPolarHBondContact O-CB 3.26Å; V1399-V1403 WeakPolarHBondContact O-CG2 3.35Å; V1399-V1403 PolarHBondContact O-N 3Å; E1401-V1403 PolarHBondContact O-N 3.28Å |
| 1404 | E | 32.6 | Very low | 30.6 | Very low | 103 Ų | 103 | 65 Ų | 65 | 48% | 0.481 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -75.4 | -34 | -175.6 | -165.3 | 164.3 | -165.2 | 0 | 0 | 111.4 | E1401 N1408 | E1401-E1404 WeakPolarHBondContact O-CB 3.38Å; E1401-E1404 PolarHBondContact O-N 3.23Å; E1404-N1408 PolarHBondContact O-ND2 3Å; E1404-N1408 VanDerWaalsContact O-ND2 3.11Å |
| 1405 | A | 31.3 | Very low | 30.5 | Very low | 70 Ų | 70 | 62.2 Ų | 62.2 | 58% | 0.579 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -62.3 | -50 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1401 F1407 | E1401-A1405 PolarHBondContact O-N 3.23Å; A1405-F1407 PolarHBondContact O-N 3.18Å |
| 1406 | H | 31 | Very low | 30.7 | Very low | 74 Ų | 74 | 64.5 Ų | 64.5 | 34% | 0.343 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.1 | -36.4 | -176.8 | -82 | -75.2 | 0 | 0 | 0 | 112.9 | L1318 P1319 M1402 N1408 A1409 | L1318-H1406 HydrophobicContact CB-CB 4.15Å; L1318-H1406 HydrophobicContact CD1-CB 4.37Å; P1319-H1406 HydrophobicContact CG-CB 4.41Å; P1319-H1406 WeakPolarHBondContact CG-O 3.46Å; M1402-H1406 PolarHBondContact O-CD2 2.77Å; H1406-N1408 PolarHBondContact O-N 3.17Å; H1406-N1408 VanDerWaalsContact O-N 3.1Å; H1406-A1409 PolarHBondContact O-N 3.15Å; H1406-A1409 VanDerWaalsContact O-N 3.14Å |
| 1407 | F | 31.4 | Very low | 30.5 | Very low | 90 Ų | 90 | 69.6 Ų | 69.6 | 40% | 0.395 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -50.8 | -40.7 | -174.7 | -177.6 | -111.6 | 0 | 0 | 0 | 113.5 | P1319 P1323 A1405 A1409 | P1319-F1407 WeakPolarHBondContact O-CD2 3.5Å; P1319-F1407 WeakPolarHBondContact O-CE2 3.47Å; P1323-F1407 HydrophobicContact CG-CD2 3.55Å; P1323-F1407 HydrophobicContact CG-CE2 3.5Å; P1323-F1407 VanDerWaalsContact CG-CE2 3.5Å; P1323-F1407 HydrophobicContact CG-CZ 4.46Å; A1405-F1407 PolarHBondContact O-N 3.18Å; F1407-A1409 PolarHBondContact O-N 3.45Å |
| 1408 | N | 30.6 | Very low | 30.2 | Very low | 97 Ų | 97 | 73.8 Ų | 73.8 | 52% | 0.519 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -73.4 | -24 | -173.5 | -66.2 | -56.5 | 0 | 0 | 0 | 114.2 | E1404 H1406 | E1404-N1408 PolarHBondContact O-ND2 3Å; E1404-N1408 VanDerWaalsContact O-ND2 3.11Å; H1406-N1408 PolarHBondContact O-N 3.17Å; H1406-N1408 VanDerWaalsContact O-N 3.1Å |
| 1409 | A | 31.2 | Very low | 30 | Very low | 64 Ų | 64 | 72.6 Ų | 72.6 | 53% | 0.529 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67 | -41.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | H1406 F1407 V1411 C1412 | H1406-A1409 PolarHBondContact O-N 3.15Å; H1406-A1409 VanDerWaalsContact O-N 3.14Å; F1407-A1409 PolarHBondContact O-N 3.45Å; A1409-V1411 PolarHBondContact O-N 3.17Å; A1409-C1412 PolarHBondContact O-N 3Å |
| 1410 | I | 29 | Very low | 29.9 | Very low | 39 Ų | 39 | 81 Ų | 81 | 20% | 0.2 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -78.3 | -19.1 | -175.5 | -87.6 | -177.2 | 0 | 0 | 0 | 113.5 | P1316 P1319 C1412 E1413 I1414 | P1316-I1410 WeakPolarHBondContact O-CD1 3.36Å; P1319-I1410 HydrophobicContact CB-CB 3.72Å; P1319-I1410 HydrophobicContact CB-CD1 4.11Å; P1319-I1410 HydrophobicContact CB-CG1 4.23Å; P1319-I1410 HydrophobicContact CB-CG2 4.23Å; P1319-I1410 HydrophobicContact CG-CB 3.91Å; P1319-I1410 HydrophobicContact CG-CD1 3.72Å; P1319-I1410 HydrophobicContact CG-CG1 3.9Å; I1410-C1412 PolarHBondContact O-N 3.02Å; I1410-E1413 PolarHBondContact O-N 3.19Å; I1410-I1414 HydrophobicContact CG2-CD1 3.72Å; I1410-I1414 HydrophobicContact CG2-CG1 4.32Å; I1410-I1414 WeakPolarHBondContact O-CG1 3.26Å; I1410-I1414 PolarHBondContact O-N 2.84Å |
| 1411 | V | 32.6 | Very low | 29.6 | Very low | 58 Ų | 58 | 85.2 Ų | 85.2 | 35% | 0.352 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.3 | -28.7 | 172.8 | -177.6 | 0 | 0 | 0 | 0 | 111.1 | A1409 | A1409-V1411 PolarHBondContact O-N 3.17Å |
| 1412 | C | 30.8 | Very low | 29 | Very low | 72 Ų | 72 | 88.7 Ų | 88.7 | 49% | 0.486 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -74.9 | -48.6 | 173.3 | -64.9 | 0 | 0 | 0 | 0 | 112.3 | A1409 I1410 I1414 K1415 T1416 | A1409-C1412 PolarHBondContact O-N 3Å; I1410-C1412 PolarHBondContact O-N 3.02Å; C1412-I1414 VanDerWaalsContact C-N 3.34Å; C1412-I1414 PolarHBondContact O-N 2.69Å; C1412-K1415 WeakPolarHBondContact O-CB 3.48Å; C1412-K1415 PolarHBondContact O-N 3.43Å; C1412-T1416 PolarHBondContact O-N 3.42Å |
| 1413 | E | 30.4 | Very low | 28.5 | Very low | 99 Ų | 99 | 93.6 Ų | 93.6 | 46% | 0.463 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.1 | -36.2 | -175.5 | -171.8 | 55.8 | -145 | 0 | 0 | 113.2 | I1410 K1415 T1416 Q1417 | I1410-E1413 PolarHBondContact O-N 3.19Å; E1413-K1415 PolarHBondContact O-N 3.08Å; E1413-T1416 PolarHBondContact O-N 3.03Å; E1413-T1416 PolarHBondContact O-OG1 3.33Å; E1413-Q1417 PolarHBondContact OE1-NE2 2.87Å |
| 1414 | I | 29.1 | Very low | 27.7 | Very low | 78 Ų | 78 | 98 Ų | 98 | 40% | 0.4 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.4 | -21.4 | 176.2 | -65.5 | 168 | 0 | 0 | 0 | 111.6 | I1410 C1412 | I1410-I1414 HydrophobicContact CG2-CD1 3.72Å; I1410-I1414 HydrophobicContact CG2-CG1 4.32Å; I1410-I1414 WeakPolarHBondContact O-CG1 3.26Å; I1410-I1414 PolarHBondContact O-N 2.84Å; C1412-I1414 VanDerWaalsContact C-N 3.34Å; C1412-I1414 PolarHBondContact O-N 2.69Å |
| 1415 | K | 27.5 | Very low | 27 | Very low | 57 Ų | 57 | 102.5 Ų | 102.5 | 25% | 0.248 | 57% | 0.571 | C | S | . | * | H | α-helix | trans | -90.4 | -18.2 | -177.9 | -110.6 | 95.3 | -179.7 | -165.5 | 0 | 115 | C1412 E1413 T1484 H1485 P1486 | C1412-K1415 WeakPolarHBondContact O-CB 3.48Å; C1412-K1415 PolarHBondContact O-N 3.43Å; E1413-K1415 PolarHBondContact O-N 3.08Å; K1415-T1484 PolarHBondContact NZ-O 2.97Å; K1415-H1485 WeakPolarHBondContact CE-CD2 3.08Å; K1415-H1485 WeakPolarHBondContact CG-NE2 3.35Å; K1415-P1486 HydrophobicContact CB-CG 3.94Å; K1415-P1486 HydrophobicContact CD-CG 4.11Å; K1415-P1486 HydrophobicContact CG-CG 3.88Å |
| 1416 | T | 30.5 | Very low | 26.4 | Very low | 98 Ų | 98 | 107.5 Ų | 107.5 | 60% | 0.601 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -80.1 | -32.3 | 179 | 47.6 | 0 | 0 | 0 | 0 | 112.3 | C1412 E1413 | C1412-T1416 PolarHBondContact O-N 3.42Å; E1413-T1416 PolarHBondContact O-N 3.03Å; E1413-T1416 PolarHBondContact O-OG1 3.33Å |
| 1417 | Q | 25.3 | Very low | 25.8 | Very low | 147 Ų | 147 | 108.3 Ų | 108.3 | 69% | 0.687 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -88.4 | -16.2 | -172 | -55.3 | -164.9 | 17.6 | 0 | 0 | 115 | E1413 | E1413-Q1417 PolarHBondContact OE1-NE2 2.87Š|
| 1418 | L | 26.5 | Very low | 25.2 | Very low | 112 Ų | 112 | 110.2 Ų | 110.2 | 59% | 0.586 | 62% | 0.621 | S | S | * | * | trans | -109.8 | 64.9 | -176.6 | -67 | 174.1 | 0 | 0 | 0 | 111.8 | F1420 | L1418-F1420 VanDerWaalsContact C-N 3.26Å; L1418-F1420 HydrophobicContact CB-CD2 4.25Å; L1418-F1420 HydrophobicContact CB-CE2 4.21Å; L1418-F1420 HydrophobicContact CD2-CE2 4.41Å; L1418-F1420 WeakPolarHBondContact O-CD2 3.33Å; L1418-F1420 PolarHBondContact O-N 3.45Å | ||
| 1419 | G | 25 | Very low | 24.6 | Very low | 71 Ų | 71 | 114.3 Ų | 114.3 | 73% | 0.732 | 64% | 0.637 | S | S | * | * | trans | -70.3 | 57.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | N1421 | G1419-N1421 PolarHBondContact O-N 3.45Š| ||
| 1420 | F | 26.3 | Very low | 24 | Very low | 178 Ų | 178 | 120.2 Ų | 120.2 | 78% | 0.781 | 66% | 0.656 | S | S | * | * | trans | -70.3 | 94.9 | 178.9 | -74.5 | -76.8 | 0 | 0 | 0 | 113.3 | L1418 | L1418-F1420 VanDerWaalsContact C-N 3.26Å; L1418-F1420 HydrophobicContact CB-CD2 4.25Å; L1418-F1420 HydrophobicContact CB-CE2 4.21Å; L1418-F1420 HydrophobicContact CD2-CE2 4.41Å; L1418-F1420 WeakPolarHBondContact O-CD2 3.33Å; L1418-F1420 PolarHBondContact O-N 3.45Å | ||
| 1421 | N | 23.3 | Very low | 23.7 | Very low | 123 Ų | 123 | 122.3 Ų | 122.3 | 66% | 0.658 | 69% | 0.687 | S | S | * | * | trans | -123.6 | 96 | 149.8 | -66.4 | -80 | 0 | 0 | 0 | 108.9 | G1419 | G1419-N1421 PolarHBondContact O-N 3.45Š| ||
| 1422 | T | 21.2 | Very low | 23.3 | Very low | 137 Ų | 137 | 123 Ų | 123 | 84% | 0.84 | 71% | 0.706 | S | S | * | * | trans | -161.5 | 118.5 | 155.8 | 1.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 1423 | L | 19.2 | Very low | 23 | Very low | 174 Ų | 174 | 127.9 Ų | 127.9 | 91% | 0.911 | 73% | 0.727 | S | S | * | * | trans | -118.3 | 133.7 | 165.3 | -81.4 | 163.2 | 0 | 0 | 0 | 106.5 | ||||
| 1424 | S | 17.4 | Very low | 22.9 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | trans | -136.8 | 131.5 | 166.6 | 52.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1425 | F | 17.5 | Very low | 22.8 | Very low | 197 Ų | 197 | 128 Ų | 128 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | trans | -82.4 | 138.9 | 173.1 | -92.8 | -112.1 | 0 | 0 | 0 | 109.7 | ||||
| 1426 | H | 17.9 | Very low | 22.6 | Very low | 175 Ų | 175 | 129.6 Ų | 129.6 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | trans | -150.3 | 135.2 | 133.3 | -130.8 | -82.8 | 0 | 0 | 0 | 110.6 | ||||
| 1427 | A | 18.7 | Very low | 22.2 | Very low | 90 Ų | 90 | 128.3 Ų | 128.3 | 74% | 0.744 | 75% | 0.748 | S | S | * | * | trans | -119.8 | 126.1 | 174 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1428 | T | 19.3 | Very low | 22.1 | Very low | 131 Ų | 131 | 127.4 Ų | 127.4 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -143 | 156.8 | 173.4 | 34.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1429 | Q | 18.6 | Very low | 21.7 | Very low | 183 Ų | 183 | 127.4 Ų | 127.4 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | trans | -101.9 | 152 | -161.2 | -80.9 | -179.8 | -21.9 | 0 | 0 | 114.4 | ||||
| 1430 | M | 18.5 | Very low | 21.9 | Very low | 187 Ų | 187 | 131.4 Ų | 131.4 | 92% | 0.921 | 76% | 0.762 | S | S | * | * | trans | 58.7 | 115 | 140.8 | -62.3 | -78 | -85.6 | 0 | 0 | 119.7 | ||||
| 1431 | G | 22.6 | Very low | 21.7 | Very low | 84 Ų | 84 | 126.7 Ų | 126.7 | 87% | 0.866 | 75% | 0.747 | S | S | * | * | trans | 175.7 | 146.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1432 | G | 24.7 | Very low | 21.5 | Very low | 72 Ų | 72 | 123.3 Ų | 123.3 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | trans | -150.1 | 157.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1433 | N | 22.7 | Very low | 21.6 | Very low | 175 Ų | 175 | 122.8 Ų | 122.8 | 94% | 0.936 | 73% | 0.725 | S | S | * | * | trans | -161 | 124.1 | 177.4 | -94.6 | -32.3 | 0 | 0 | 0 | 111.4 | ||||
| 1434 | S | 28.5 | Very low | 21.8 | Very low | 115 Ų | 115 | 116.9 Ų | 116.9 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | trans | 178.4 | 179 | 164.6 | 68.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1435 | P | 28.5 | Very low | 22.1 | Very low | 64 Ų | 64 | 117 Ų | 117 | 42% | 0.416 | 71% | 0.707 | S | S | . | * | cis | -123.2 | 174.2 | -10.1 | 42 | -29 | 0 | 0 | 0 | 112.9 | N1443 G1444 | P1435-N1443 CarbonylContact O-C 3.55Å; P1435-N1443 WeakPolarHBondContact O-CA 3.48Å; P1435-N1443 PolarHBondContact O-OD1 3.02Å; P1435-G1444 PolarHBondContact O-N 3.28Å | ||
| 1436 | Q | 22.4 | Very low | 22.5 | Very low | 90 Ų | 90 | 110.4 Ų | 110.4 | 42% | 0.421 | 70% | 0.695 | S | S | . | * | trans | -152.8 | 151.1 | -171.1 | -76.7 | -132.5 | -52.2 | 0 | 0 | 109.6 | V1441 S1442 N1443 | Q1436-V1441 VanDerWaalsContact CB-C 3.47Å; Q1436-V1441 HydrophobicContact CB-CB 3.49Å; Q1436-V1441 VanDerWaalsContact CB-CB 3.49Å; Q1436-V1441 HydrophobicContact CB-CG2 3.91Å; Q1436-V1441 VanDerWaalsContact O-CB 3.28Å; Q1436-V1441 WeakPolarHBondContact O-CB 3.32Å; Q1436-V1441 WeakPolarHBondContact O-CG1 3.39Å; Q1436-V1441 PolarHBondContact OE1-O 3.41Å; Q1436-S1442 VanDerWaalsContact CB-CA 3.4Å; Q1436-S1442 VanDerWaalsContact CD-CA 3.49Å; Q1436-S1442 PolarHBondContact NE2-OG 3.11Å; Q1436-S1442 PolarHBondContact OE1-OG 2.87Å; Q1436-N1443 HydrophobicContact CG-CB 4.27Å; Q1436-N1443 PolarHBondContact NE2-OD1 3.46Å | ||
| 1437 | S | 22.8 | Very low | 22.9 | Very low | 71 Ų | 71 | 108.7 Ų | 108.7 | 50% | 0.497 | 70% | 0.697 | S | S | . | * | trans | -133.3 | 142.7 | 178.4 | 45.2 | 0 | 0 | 0 | 0 | 117.4 | T1439 V1441 S1442 | S1437-T1439 PolarHBondContact O-N 3.48Å; S1437-V1441 CarbonylContact O-C 3.55Å; S1437-S1442 CarbonylContact C-O 3.19Å; S1437-S1442 VanDerWaalsContact N-CA 3.34Å; S1437-S1442 PolarHBondContact N-O 3.45Å; S1437-S1442 CarbonylContact O-C 3.58Å; S1437-S1442 PolarHBondContact O-N 2.92Å; S1437-S1442 PolarHBondContact OG-O 3.41Å | ||
| 1438 | T | 22.5 | Very low | 23.2 | Very low | 129 Ų | 129 | 110.6 Ų | 110.6 | 79% | 0.791 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.9 | -38.5 | 171.7 | -14.2 | 0 | 0 | 0 | 0 | 122.2 | N1440 | T1438-N1440 CarbonylContact C-O 3.55Å; T1438-N1440 WeakPolarHBondContact CA-O 3.49Å; T1438-N1440 PolarHBondContact N-O 2.99Å; T1438-N1440 CarbonylContact O-C 3.15Å; T1438-N1440 WeakPolarHBondContact O-CA 3.21Å |
| 1439 | T | 18.1 | Very low | 23.6 | Very low | 112 Ų | 112 | 108.4 Ų | 108.4 | 69% | 0.687 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 30.8 | -173.1 | 54.7 | 0 | 0 | 0 | 0 | 122 | S1437 V1441 S1442 | S1437-T1439 PolarHBondContact O-N 3.48Å; T1439-V1441 VanDerWaalsContact CA-N 3.34Å; T1439-V1441 PolarHBondContact OG1-O 3.07Å; T1439-S1442 PolarHBondContact OG1-N 2.75Å; T1439-S1442 PolarHBondContact OG1-OG 2.84Å |
| 1440 | N | 29.4 | Very low | 23.9 | Very low | 154 Ų | 154 | 102.4 Ų | 102.4 | 82% | 0.824 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -62.5 | -12.5 | -4.5 | -65.3 | 118.4 | 0 | 0 | 0 | 110.5 | T1438 | T1438-N1440 CarbonylContact C-O 3.55Å; T1438-N1440 WeakPolarHBondContact CA-O 3.49Å; T1438-N1440 PolarHBondContact N-O 2.99Å; T1438-N1440 CarbonylContact O-C 3.15Å; T1438-N1440 WeakPolarHBondContact O-CA 3.21Å |
| 1441 | V | 21 | Very low | 24 | Very low | 79 Ų | 79 | 98.1 Ų | 98.1 | 48% | 0.479 | 64% | 0.641 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -143.4 | 131 | 176.8 | -68.8 | 0 | 0 | 0 | 0 | 116.4 | Q1436 S1437 T1439 | Q1436-V1441 VanDerWaalsContact CB-C 3.47Å; Q1436-V1441 HydrophobicContact CB-CB 3.49Å; Q1436-V1441 VanDerWaalsContact CB-CB 3.49Å; Q1436-V1441 HydrophobicContact CB-CG2 3.91Å; Q1436-V1441 VanDerWaalsContact O-CB 3.28Å; Q1436-V1441 WeakPolarHBondContact O-CB 3.32Å; Q1436-V1441 WeakPolarHBondContact O-CG1 3.39Å; Q1436-V1441 PolarHBondContact OE1-O 3.41Å; S1437-V1441 CarbonylContact O-C 3.55Å; T1439-V1441 VanDerWaalsContact CA-N 3.34Å; T1439-V1441 PolarHBondContact OG1-O 3.07Å |
| 1442 | S | 20.4 | Very low | 24 | Very low | 53 Ų | 53 | 101 Ų | 101 | 37% | 0.371 | 63% | 0.63 | S | S | . | * | trans | -162.5 | 140.8 | 152.3 | -78.2 | 0 | 0 | 0 | 0 | 114 | Q1436 S1437 T1439 | Q1436-S1442 VanDerWaalsContact CB-CA 3.4Å; Q1436-S1442 VanDerWaalsContact CD-CA 3.49Å; Q1436-S1442 PolarHBondContact NE2-OG 3.11Å; Q1436-S1442 PolarHBondContact OE1-OG 2.87Å; S1437-S1442 CarbonylContact C-O 3.19Å; S1437-S1442 VanDerWaalsContact N-CA 3.34Å; S1437-S1442 PolarHBondContact N-O 3.45Å; S1437-S1442 CarbonylContact O-C 3.58Å; S1437-S1442 PolarHBondContact O-N 2.92Å; S1437-S1442 PolarHBondContact OG-O 3.41Å; T1439-S1442 PolarHBondContact OG1-N 2.75Å; T1439-S1442 PolarHBondContact OG1-OG 2.84Å | ||
| 1443 | N | 22.4 | Very low | 23.9 | Very low | 125 Ų | 125 | 102.6 Ų | 102.6 | 67% | 0.668 | 63% | 0.629 | S | S | * | * | cis | -164.6 | 132.4 | -7.7 | -165.4 | 19.3 | 0 | 0 | 0 | 114.6 | P1435 Q1436 | P1435-N1443 CarbonylContact O-C 3.55Å; P1435-N1443 WeakPolarHBondContact O-CA 3.48Å; P1435-N1443 PolarHBondContact O-OD1 3.02Å; Q1436-N1443 HydrophobicContact CG-CB 4.27Å; Q1436-N1443 PolarHBondContact NE2-OD1 3.46Å | ||
| 1444 | G | 23 | Very low | 24 | Very low | 50 Ų | 50 | 98.7 Ų | 98.7 | 52% | 0.515 | 62% | 0.621 | S | S | . | * | trans | 106 | 117 | 146.9 | 0 | 0 | 0 | 0 | 0 | 125.2 | P1435 | P1435-G1444 PolarHBondContact O-N 3.28Š| ||
| 1445 | S | 25.2 | Very low | 24 | Very low | 120 Ų | 120 | 99.2 Ų | 99.2 | 84% | 0.839 | 63% | 0.625 | S | S | * | * | trans | 59.6 | 129.3 | 147.4 | -154 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 1446 | G | 26.5 | Very low | 23.7 | Very low | 59 Ų | 59 | 103.6 Ų | 103.6 | 61% | 0.608 | 65% | 0.645 | S | S | * | * | trans | -174.3 | 157.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1447 | T | 24.5 | Very low | 23.6 | Very low | 139 Ų | 139 | 101.6 Ų | 101.6 | 85% | 0.853 | 64% | 0.639 | S | S | * | * | cis | 89.9 | 131.7 | 15.8 | 67.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1448 | L | 26 | Very low | 23.6 | Very low | 131 Ų | 131 | 101.1 Ų | 101.1 | 69% | 0.686 | 63% | 0.63 | S | S | * | * | cis | -170.7 | 140.6 | -18.4 | -147.1 | -177.4 | 0 | 0 | 0 | 110.5 | I1458 | L1448-I1458 HydrophobicContact CD2-CD1 4.44Š| ||
| 1449 | S | 26.7 | Very low | 23.7 | Very low | 85 Ų | 85 | 99.5 Ų | 99.5 | 59% | 0.594 | 62% | 0.624 | S | S | * | * | trans | -149.9 | 157.8 | 154.2 | 69.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1450 | T | 25 | Very low | 23.9 | Very low | 56 Ų | 56 | 100.9 Ų | 100.9 | 34% | 0.344 | 62% | 0.623 | S | S | . | * | trans | 77.4 | 129.2 | -174.3 | 92.1 | 0 | 0 | 0 | 0 | 117.1 | I1458 S1459 Q1460 | T1450-I1458 WeakPolarHBondContact O-CG2 3.4Å; T1450-S1459 WeakPolarHBondContact CG2-O 3.26Å; T1450-Q1460 HydrophobicContact CG2-CB 4.47Å; T1450-Q1460 HydrophobicContact CG2-CG 4Å | ||
| 1451 | N | 20.6 | Very low | 23.6 | Very low | 97 Ų | 97 | 99.6 Ų | 99.6 | 52% | 0.519 | 63% | 0.625 | S | S | . | * | S | Bend | cis | -126.3 | 128.8 | -5.5 | -77.2 | -29.3 | 0 | 0 | 0 | 114.2 | I1458 S1459 Q1460 | N1451-I1458 CarbonylContact C-O 3.6Å; N1451-I1458 WeakPolarHBondContact CA-O 3.5Å; N1451-S1459 WeakPolarHBondContact OD1-CA 3.46Å; N1451-Q1460 PolarHBondContact ND2-OE1 2.95Å; N1451-Q1460 WeakPolarHBondContact OD1-CB 3.24Å; N1451-Q1460 WeakPolarHBondContact OD1-CG 3.48Å; N1451-Q1460 PolarHBondContact OD1-N 2.9Å |
| 1452 | K | 23.6 | Very low | 23.7 | Very low | 146 Ų | 146 | 103.9 Ų | 103.9 | 64% | 0.635 | 65% | 0.645 | S | S | * | * | trans | -174.6 | 100.8 | 161.9 | -174.7 | -166.3 | -176.7 | -170.8 | 0 | 113.4 | T1457 I1458 | K1452-T1457 CarbonylContact C-O 3.58Å; K1452-T1457 CarbonylContact O-C 3.57Å; K1452-T1457 WeakPolarHBondContact O-CB 3.32Å; K1452-T1457 PolarHBondContact O-OG1 3.13Å; K1452-I1458 PolarHBondContact N-O 3.38Å | ||
| 1453 | S | 21.6 | Very low | 24 | Very low | 104 Ų | 104 | 104.4 Ų | 104.4 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | trans | -57.2 | 165.8 | 173.1 | 52.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1454 | A | 25.5 | Very low | 24.2 | Very low | 93 Ų | 93 | 104.4 Ų | 104.4 | 77% | 0.769 | 66% | 0.663 | S | S | * | * | S | Bend | trans | 59.9 | 97.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1455 | S | 29.1 | Very low | 24.4 | Very low | 126 Ų | 126 | 104.2 Ų | 104.2 | 88% | 0.881 | 66% | 0.661 | S | S | * | * | S | Bend | cis | -129.5 | -6 | 7 | 51.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1456 | N | 21.8 | Very low | 24.8 | Very low | 156 Ų | 156 | 103 Ų | 103 | 83% | 0.834 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -147.1 | 69.5 | 173.9 | -160 | -3.7 | 0 | 0 | 0 | 109.5 | ||
| 1457 | T | 19.9 | Very low | 24.9 | Very low | 49 Ų | 49 | 106.1 Ų | 106.1 | 30% | 0.301 | 65% | 0.648 | S | S | . | * | trans | -153.2 | 117.7 | 175.3 | 20.9 | 0 | 0 | 0 | 0 | 110.5 | K1452 | K1452-T1457 CarbonylContact C-O 3.58Å; K1452-T1457 CarbonylContact O-C 3.57Å; K1452-T1457 WeakPolarHBondContact O-CB 3.32Å; K1452-T1457 PolarHBondContact O-OG1 3.13Å | ||
| 1458 | I | 22.9 | Very low | 25.3 | Very low | 60 Ų | 60 | 104.8 Ų | 104.8 | 31% | 0.308 | 64% | 0.635 | S | S | . | * | 61.3 | 106.1 | 113.6 | -67.3 | -172.1 | 0 | 0 | 0 | 115.4 | L1448 T1450 N1451 K1452 | L1448-I1458 HydrophobicContact CD2-CD1 4.44Å; T1450-I1458 WeakPolarHBondContact O-CG2 3.4Å; N1451-I1458 CarbonylContact C-O 3.6Å; N1451-I1458 WeakPolarHBondContact CA-O 3.5Å; K1452-I1458 PolarHBondContact N-O 3.38Å | |||
| 1459 | S | 24.3 | Very low | 25.9 | Very low | 96 Ų | 96 | 102.8 Ų | 102.8 | 67% | 0.671 | 62% | 0.623 | S | S | * | * | trans | -156.3 | 142.5 | 179 | 57 | 0 | 0 | 0 | 0 | 118.7 | T1450 N1451 | T1450-S1459 WeakPolarHBondContact CG2-O 3.26Å; N1451-S1459 WeakPolarHBondContact OD1-CA 3.46Å | ||
| 1460 | Q | 21.6 | Very low | 26.7 | Very low | 140 Ų | 140 | 106.7 Ų | 106.7 | 65% | 0.654 | 63% | 0.625 | S | S | * | * | trans | -87.4 | 133.4 | -176.2 | -86.3 | 179.8 | -29.7 | 0 | 0 | 116.5 | T1450 N1451 | T1450-Q1460 HydrophobicContact CG2-CB 4.47Å; T1450-Q1460 HydrophobicContact CG2-CG 4Å; N1451-Q1460 PolarHBondContact ND2-OE1 2.95Å; N1451-Q1460 WeakPolarHBondContact OD1-CB 3.24Å; N1451-Q1460 WeakPolarHBondContact OD1-CG 3.48Å; N1451-Q1460 PolarHBondContact OD1-N 2.9Å | ||
| 1461 | C | 24 | Very low | 27.3 | Very low | 128 Ų | 128 | 109.4 Ų | 109.4 | 87% | 0.865 | 64% | 0.637 | S | S | * | * | trans | -161.2 | 87.6 | 148.9 | 53.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1462 | N | 22.3 | Very low | 28.5 | Very low | 169 Ų | 169 | 107.5 Ų | 107.5 | 90% | 0.904 | 62% | 0.623 | S | S | * | * | trans | -78.9 | 122.5 | 167.4 | -91.9 | -28.3 | 0 | 0 | 0 | 110.1 | ||||
| 1463 | G | 28 | Very low | 29.8 | Very low | 64 Ų | 64 | 102.5 Ų | 102.5 | 66% | 0.66 | 60% | 0.603 | S | S | * | * | trans | -113.2 | 107.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | G1465 | G1463-G1465 VanDerWaalsContact C-N 3.28Å; G1463-G1465 PolarHBondContact O-N 3.42Å; G1463-G1465 VanDerWaalsContact O-N 3.1Å | ||
| 1464 | T | 25.5 | Very low | 31.1 | Very low | 125 Ų | 125 | 100.1 Ų | 100.1 | 77% | 0.767 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 11.6 | -161.9 | 41.3 | 0 | 0 | 0 | 0 | 116.7 | ||
| 1465 | G | 28.6 | Very low | 32 | Very low | 45 Ų | 45 | 98.9 Ų | 98.9 | 46% | 0.464 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -70.6 | -37.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | G1463 Q1467 N1468 M1469 | G1463-G1465 VanDerWaalsContact C-N 3.28Å; G1463-G1465 PolarHBondContact O-N 3.42Å; G1463-G1465 VanDerWaalsContact O-N 3.1Å; G1465-Q1467 PolarHBondContact O-N 3.35Å; G1465-N1468 PolarHBondContact O-N 3.24Å; G1465-M1469 PolarHBondContact O-N 3.31Å |
| 1466 | T | 31.9 | Very low | 33.6 | Very low | 96 Ų | 96 | 93 Ų | 93 | 59% | 0.589 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -74.7 | -24.5 | -165 | 54.7 | 0 | 0 | 0 | 0 | 115 | R1470 | T1466-R1470 PolarHBondContact O-N 3.2Å |
| 1467 | Q | 30.4 | Very low | 35.4 | Very low | 124 Ų | 124 | 89 Ų | 89 | 58% | 0.579 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -73.4 | -35.1 | 174.2 | -66.3 | -69.9 | 15.4 | 0 | 0 | 111.8 | G1465 M1469 R1470 L1471 | G1465-Q1467 PolarHBondContact O-N 3.35Å; Q1467-M1469 VanDerWaalsContact C-N 3.33Å; Q1467-M1469 PolarHBondContact O-N 3.36Å; Q1467-R1470 PolarHBondContact O-N 3.45Å; Q1467-L1471 PolarHBondContact O-N 2.86Å |
| 1468 | N | 32.9 | Very low | 37 | Very low | 111 Ų | 111 | 89.4 Ų | 89.4 | 59% | 0.594 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.6 | -33.7 | 174.2 | -75.8 | -10 | 0 | 0 | 0 | 111.9 | G1465 L1471 R1472 | G1465-N1468 PolarHBondContact O-N 3.24Å; N1468-L1471 PolarHBondContact O-N 3.14Å; N1468-R1472 WeakPolarHBondContact O-CB 3.43Å; N1468-R1472 PolarHBondContact O-N 3.23Å |
| 1469 | M | 37.5 | Very low | 38.6 | Very low | 88 Ų | 88 | 88.5 Ų | 88.5 | 43% | 0.433 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.4 | -48.8 | 170.4 | -67.7 | -72.3 | 98.6 | 0 | 0 | 111.7 | G1465 Q1467 L1471 R1472 D1473 | G1465-M1469 PolarHBondContact O-N 3.31Å; Q1467-M1469 VanDerWaalsContact C-N 3.33Å; Q1467-M1469 PolarHBondContact O-N 3.36Å; M1469-L1471 VanDerWaalsContact C-N 3.31Å; M1469-L1471 PolarHBondContact O-N 3.24Å; M1469-R1472 WeakPolarHBondContact O-CB 3.42Å; M1469-R1472 PolarHBondContact O-N 2.9Å; M1469-R1472 VanDerWaalsContact SD-CZ 3.57Å; M1469-R1472 PolarHBondContact SD-NH1 3.32Å; M1469-D1473 WeakPolarHBondContact O-CB 3.4Å; M1469-D1473 PolarHBondContact O-N 3.5Å |
| 1470 | R | 43.2 | Very low | 40.5 | Very low | 168 Ų | 168 | 84.3 Ų | 84.3 | 63% | 0.634 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.3 | -36.6 | 176.8 | -70.8 | 177.3 | 177.7 | 162 | -0.5 | 113 | T1466 Q1467 A1474 | T1466-R1470 PolarHBondContact O-N 3.2Å; Q1467-R1470 PolarHBondContact O-N 3.45Å; R1470-A1474 WeakPolarHBondContact O-CB 3.4Å; R1470-A1474 PolarHBondContact O-N 3.2Å |
| 1471 | L | 37.9 | Very low | 42.6 | Very low | 113 Ų | 113 | 81.4 Ų | 81.4 | 59% | 0.592 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -69.7 | -42.9 | 175.3 | -164.3 | 74.4 | 0 | 0 | 0 | 111.8 | Q1467 N1468 M1469 D1473 A1474 C1475 | Q1467-L1471 PolarHBondContact O-N 2.86Å; N1468-L1471 PolarHBondContact O-N 3.14Å; M1469-L1471 VanDerWaalsContact C-N 3.31Å; M1469-L1471 PolarHBondContact O-N 3.24Å; L1471-D1473 VanDerWaalsContact C-N 3.32Å; L1471-D1473 PolarHBondContact O-N 2.75Å; L1471-A1474 PolarHBondContact O-N 3.39Å; L1471-C1475 WeakPolarHBondContact O-CB 3.31Å; L1471-C1475 PolarHBondContact O-N 3.15Å; L1471-C1475 PolarHBondContact O-SG 3.04Å |
| 1472 | R | 46.7 | Very low | 44.2 | Very low | 57 Ų | 57 | 79.6 Ų | 79.6 | 22% | 0.215 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -53.8 | -50.4 | 171.5 | 176.4 | -159.7 | 69.5 | 179.6 | -2.4 | 110.3 | N1468 M1469 C1475 C1476 L1506 | N1468-R1472 WeakPolarHBondContact O-CB 3.43Å; N1468-R1472 PolarHBondContact O-N 3.23Å; M1469-R1472 WeakPolarHBondContact O-CB 3.42Å; M1469-R1472 PolarHBondContact O-N 2.9Å; M1469-R1472 VanDerWaalsContact SD-CZ 3.57Å; M1469-R1472 PolarHBondContact SD-NH1 3.32Å; R1472-C1475 WeakPolarHBondContact O-CB 3.23Å; R1472-C1475 PolarHBondContact O-N 3.42Å; R1472-C1476 PolarHBondContact O-N 3.42Å; R1472-C1476 PolarHBondContact O-SG 2.63Å; R1472-L1506 HydrophobicContact CG-CD2 4.48Å |
| 1473 | D | 50 | Low | 46.2 | Very low | 40 Ų | 40 | 71.6 Ų | 71.6 | 21% | 0.214 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65.9 | -42.7 | -175.3 | -65.8 | -10.5 | 0 | 0 | 0 | 111.4 | M1469 L1471 C1475 C1476 L1477 P1526 | M1469-D1473 WeakPolarHBondContact O-CB 3.4Å; M1469-D1473 PolarHBondContact O-N 3.5Å; L1471-D1473 VanDerWaalsContact C-N 3.32Å; L1471-D1473 PolarHBondContact O-N 2.75Å; D1473-C1475 PolarHBondContact O-N 2.93Å; D1473-C1476 PolarHBondContact O-N 2.73Å; D1473-L1477 WeakPolarHBondContact O-CG 3.47Å; D1473-L1477 PolarHBondContact O-N 3.29Å; D1473-P1526 HydrophobicContact CB-CB 3.99Å; D1473-P1526 HydrophobicContact CB-CG 3.85Å |
| 1474 | A | 49.2 | Very low | 47.7 | Very low | 54 Ų | 54 | 71.4 Ų | 71.4 | 45% | 0.446 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1470 L1471 L1477 A1478 | R1470-A1474 WeakPolarHBondContact O-CB 3.4Å; R1470-A1474 PolarHBondContact O-N 3.2Å; L1471-A1474 PolarHBondContact O-N 3.39Å; A1474-L1477 PolarHBondContact O-N 2.85Å; A1474-A1478 WeakPolarHBondContact O-CB 3.3Å; A1474-A1478 PolarHBondContact O-N 3.32Å |
| 1475 | C | 44.3 | Very low | 49.1 | Very low | 67 Ų | 67 | 68.6 Ų | 68.6 | 45% | 0.453 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.9 | -38.5 | 173.8 | -75.6 | 0 | 0 | 0 | 0 | 112.3 | L1471 R1472 D1473 A1478 I1479 | L1471-C1475 WeakPolarHBondContact O-CB 3.31Å; L1471-C1475 PolarHBondContact O-N 3.15Å; L1471-C1475 PolarHBondContact O-SG 3.04Å; R1472-C1475 WeakPolarHBondContact O-CB 3.23Å; R1472-C1475 PolarHBondContact O-N 3.42Å; D1473-C1475 PolarHBondContact O-N 2.93Å; C1475-A1478 PolarHBondContact O-N 2.83Å; C1475-I1479 WeakPolarHBondContact O-CD1 3.32Å; C1475-I1479 VanDerWaalsContact O-CG1 3.26Å; C1475-I1479 WeakPolarHBondContact O-CG1 3.5Å; C1475-I1479 PolarHBondContact O-N 2.89Å |
| 1476 | C | 62 | Low | 50.3 | Low | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.014 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.1 | -45.7 | 175.9 | -63.7 | 0 | 0 | 0 | 0 | 111.1 | R1472 D1473 A1478 I1479 S1480 P1526 A1530 | R1472-C1476 PolarHBondContact O-N 3.42Å; R1472-C1476 PolarHBondContact O-SG 2.63Å; D1473-C1476 PolarHBondContact O-N 2.73Å; C1476-A1478 VanDerWaalsContact C-N 3.29Å; C1476-A1478 PolarHBondContact O-N 2.99Å; C1476-I1479 PolarHBondContact O-N 3.29Å; C1476-I1479 VanDerWaalsContact O-N 3.13Å; C1476-S1480 PolarHBondContact O-N 3.21Å; C1476-P1526 HydrophobicContact CB-CB 4.05Å; C1476-P1526 VanDerWaalsContact CB-O 3.27Å; C1476-P1526 WeakPolarHBondContact CB-O 3.19Å; C1476-A1530 HydrophobicContact CB-CB 3.86Å; C1476-A1530 WeakPolarHBondContact O-CB 3.11Å |
| 1477 | L | 60.7 | Low | 51.7 | Low | 74 Ų | 74 | 66.6 Ų | 66.6 | 39% | 0.387 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.9 | -34.9 | 173.6 | -68.4 | 167.3 | 0 | 0 | 0 | 112.5 | D1473 A1474 S1480 S1481 P1526 E1529 | D1473-L1477 WeakPolarHBondContact O-CG 3.47Å; D1473-L1477 PolarHBondContact O-N 3.29Å; A1474-L1477 PolarHBondContact O-N 2.85Å; L1477-S1480 PolarHBondContact O-N 3.47Å; L1477-S1481 WeakPolarHBondContact O-CB 3.41Å; L1477-S1481 PolarHBondContact O-N 2.88Å; L1477-S1481 PolarHBondContact O-OG 2.8Å; L1477-P1526 HydrophobicContact CG-CB 4.35Å; L1477-E1529 WeakPolarHBondContact CD2-OE2 3.15Å |
| 1478 | A | 52.3 | Low | 53.1 | Low | 57 Ų | 57 | 61 Ų | 61 | 47% | 0.471 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.1 | -36.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1474 C1475 C1476 S1481 L1482 | A1474-A1478 WeakPolarHBondContact O-CB 3.3Å; A1474-A1478 PolarHBondContact O-N 3.32Å; C1475-A1478 PolarHBondContact O-N 2.83Å; C1476-A1478 VanDerWaalsContact C-N 3.29Å; C1476-A1478 PolarHBondContact O-N 2.99Å; A1478-S1481 WeakPolarHBondContact O-CB 3.43Å; A1478-S1481 PolarHBondContact O-N 2.9Å; A1478-L1482 WeakPolarHBondContact O-CB 3.34Å; A1478-L1482 PolarHBondContact O-N 3.25Å |
| 1479 | I | 56.5 | Low | 54.3 | Low | 40 Ų | 40 | 56.6 Ų | 56.6 | 21% | 0.205 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.1 | -41.8 | 173.2 | -67.3 | 158.4 | 0 | 0 | 0 | 110.7 | C1475 C1476 S1481 L1482 A1483 L1499 L1503 V1534 | C1475-I1479 WeakPolarHBondContact O-CD1 3.32Å; C1475-I1479 VanDerWaalsContact O-CG1 3.26Å; C1475-I1479 WeakPolarHBondContact O-CG1 3.5Å; C1475-I1479 PolarHBondContact O-N 2.89Å; C1476-I1479 PolarHBondContact O-N 3.29Å; C1476-I1479 VanDerWaalsContact O-N 3.13Å; I1479-S1481 VanDerWaalsContact C-N 3.35Å; I1479-S1481 PolarHBondContact O-N 3.44Å; I1479-L1482 PolarHBondContact O-N 2.81Å; I1479-A1483 WeakPolarHBondContact O-CB 3.49Å; I1479-A1483 PolarHBondContact O-N 3.19Å; I1479-L1499 HydrophobicContact CD1-CD1 4.07Å; I1479-L1499 HydrophobicContact CG1-CD1 4.49Å; I1479-L1499 HydrophobicContact CG2-CD1 4.26Å; I1479-L1499 HydrophobicContact CG2-CD2 3.99Å; I1479-L1499 HydrophobicContact CG2-CG 4.36Å; I1479-L1503 HydrophobicContact CD1-CD2 4.23Å; I1479-L1503 HydrophobicContact CG2-CD1 3.99Å; I1479-V1534 HydrophobicContact CG2-CG2 3.74Å |
| 1480 | S | 65.4 | Low | 55.4 | Low | 9 Ų | 9 | 61.5 Ų | 61.5 | 6% | 0.063 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -54.9 | -51 | 171.5 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | C1476 L1477 L1482 A1483 T1484 E1529 T1533 | C1476-S1480 PolarHBondContact O-N 3.21Å; L1477-S1480 PolarHBondContact O-N 3.47Å; S1480-L1482 VanDerWaalsContact C-N 3.33Å; S1480-L1482 PolarHBondContact O-N 3.31Å; S1480-A1483 PolarHBondContact O-N 2.67Å; S1480-T1484 PolarHBondContact O-N 3.25Å; S1480-E1529 VanDerWaalsContact CB-OE1 3.28Å; S1480-E1529 WeakPolarHBondContact CB-OE1 3.44Å; S1480-E1529 PolarHBondContact OG-OE1 3.37Å; S1480-T1533 VanDerWaalsContact CA-OG1 3.29Å; S1480-T1533 WeakPolarHBondContact CA-OG1 3.07Å; S1480-T1533 WeakPolarHBondContact CB-OG1 3.37Å; S1480-T1533 WeakPolarHBondContact OG-CG2 3.49Å |
| 1481 | S | 66.1 | Low | 56.1 | Low | 79 Ų | 79 | 62.7 Ų | 62.7 | 55% | 0.552 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -54.5 | -46.3 | 174.8 | -58.9 | 0 | 0 | 0 | 0 | 112.3 | L1477 A1478 I1479 T1484 | L1477-S1481 WeakPolarHBondContact O-CB 3.41Å; L1477-S1481 PolarHBondContact O-N 2.88Å; L1477-S1481 PolarHBondContact O-OG 2.8Å; A1478-S1481 WeakPolarHBondContact O-CB 3.43Å; A1478-S1481 PolarHBondContact O-N 2.9Å; I1479-S1481 VanDerWaalsContact C-N 3.35Å; I1479-S1481 PolarHBondContact O-N 3.44Å; S1481-T1484 PolarHBondContact O-OG1 2.94Å |
| 1482 | L | 56.4 | Low | 57.2 | Low | 89 Ų | 89 | 58.6 Ų | 58.6 | 47% | 0.466 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69 | -37.8 | -179.6 | -173.8 | 63.8 | 0 | 0 | 0 | 113 | A1478 I1479 S1480 T1484 H1485 L1492 | A1478-L1482 WeakPolarHBondContact O-CB 3.34Å; A1478-L1482 PolarHBondContact O-N 3.25Å; I1479-L1482 PolarHBondContact O-N 2.81Å; S1480-L1482 VanDerWaalsContact C-N 3.33Å; S1480-L1482 PolarHBondContact O-N 3.31Å; L1482-T1484 VanDerWaalsContact C-N 3.25Å; L1482-T1484 PolarHBondContact O-N 2.97Å; L1482-H1485 WeakPolarHBondContact O-CB 3.47Å; L1482-H1485 PolarHBondContact O-N 2.95Å; L1482-L1492 HydrophobicContact CD2-CD1 4.05Å |
| 1483 | A | 64.6 | Low | 57.8 | Low | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.008 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.2 | -24.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1479 S1480 H1485 V1534 L1537 R1540 | I1479-A1483 WeakPolarHBondContact O-CB 3.49Å; I1479-A1483 PolarHBondContact O-N 3.19Å; S1480-A1483 PolarHBondContact O-N 2.67Å; A1483-H1485 PolarHBondContact O-N 2.87Å; A1483-V1534 HydrophobicContact CB-CG2 4.16Å; A1483-L1537 HydrophobicContact CB-CB 4.27Å; A1483-L1537 HydrophobicContact CB-CD2 4.08Å; A1483-R1540 PolarHBondContact O-NH2 2.75Å |
| 1484 | T | 58.9 | Low | 58.4 | Low | 60 Ų | 60 | 58 Ų | 58 | 37% | 0.368 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | 1.4 | 170 | 73.9 | 0 | 0 | 0 | 0 | 114.1 | K1415 S1480 S1481 L1482 | K1415-T1484 PolarHBondContact NZ-O 2.97Å; S1480-T1484 PolarHBondContact O-N 3.25Å; S1481-T1484 PolarHBondContact O-OG1 2.94Å; L1482-T1484 VanDerWaalsContact C-N 3.25Å; L1482-T1484 PolarHBondContact O-N 2.97Å |
| 1485 | H | 54.6 | Low | 59 | Low | 66 Ų | 66 | 61.7 Ų | 61.7 | 31% | 0.306 | 35% | 0.346 | S | S | . | . | trans | -82.6 | 124.5 | 178.1 | -143.1 | -80.2 | 0 | 0 | 0 | 111.2 | K1415 L1482 A1483 S1487 A1488 R1540 | K1415-H1485 WeakPolarHBondContact CE-CD2 3.08Å; K1415-H1485 WeakPolarHBondContact CG-NE2 3.35Å; L1482-H1485 WeakPolarHBondContact O-CB 3.47Å; L1482-H1485 PolarHBondContact O-N 2.95Å; A1483-H1485 PolarHBondContact O-N 2.87Å; H1485-S1487 PolarHBondContact CE1-OG 3.44Å; H1485-S1487 PolarHBondContact ND1-OG 3.43Å; H1485-S1487 PolarHBondContact O-N 3.39Å; H1485-S1487 VanDerWaalsContact O-N 3.08Å; H1485-A1488 HydrophobicContact CB-CB 4.21Å; H1485-A1488 WeakPolarHBondContact O-CB 3.46Å; H1485-A1488 PolarHBondContact O-N 2.92Å; H1485-R1540 PolarHBondContact O-NH1 2.96Å | ||
| 1486 | P | 55.4 | Low | 60.3 | Low | 50 Ų | 50 | 58.5 Ų | 58.5 | 33% | 0.325 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -1.1 | 176.4 | 28.5 | -36.8 | 0 | 0 | 0 | 114.3 | K1415 | K1415-P1486 HydrophobicContact CB-CG 3.94Å; K1415-P1486 HydrophobicContact CD-CG 4.11Å; K1415-P1486 HydrophobicContact CG-CG 3.88Å |
| 1487 | S | 60.3 | Low | 60.4 | Low | 50 Ų | 50 | 59.5 Ų | 59.5 | 35% | 0.35 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -5.6 | 166.6 | 66.1 | 0 | 0 | 0 | 0 | 113.4 | H1485 D1489 K1490 R1491 | H1485-S1487 PolarHBondContact CE1-OG 3.44Å; H1485-S1487 PolarHBondContact ND1-OG 3.43Å; H1485-S1487 PolarHBondContact O-N 3.39Å; H1485-S1487 VanDerWaalsContact O-N 3.08Å; S1487-D1489 PolarHBondContact O-N 3.16Å; S1487-K1490 PolarHBondContact O-N 2.91Å; S1487-K1490 VanDerWaalsContact O-N 3.1Å; S1487-R1491 PolarHBondContact O-N 2.83Å; S1487-R1491 VanDerWaalsContact O-N 3.09Å |
| 1488 | A | 59.7 | Low | 60.5 | Low | 5 Ų | 5 | 59.6 Ų | 59.6 | 4% | 0.041 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.2 | -33.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | H1485 K1490 R1491 L1492 L1537 | H1485-A1488 HydrophobicContact CB-CB 4.21Å; H1485-A1488 WeakPolarHBondContact O-CB 3.46Å; H1485-A1488 PolarHBondContact O-N 2.92Å; A1488-K1490 PolarHBondContact O-N 2.89Å; A1488-R1491 PolarHBondContact O-N 3.2Å; A1488-R1491 VanDerWaalsContact O-N 3.17Å; A1488-L1492 HydrophobicContact CB-CB 4.26Å; A1488-L1492 WeakPolarHBondContact O-CA 3.42Å; A1488-L1492 VanDerWaalsContact O-CB 3.26Å; A1488-L1492 WeakPolarHBondContact O-CB 3.49Å; A1488-L1492 PolarHBondContact O-N 3.49Å; A1488-L1537 HydrophobicContact CB-CD1 4.06Å; A1488-L1537 HydrophobicContact CB-CD2 3.76Å |
| 1489 | D | 59 | Low | 61.2 | Low | 19 Ų | 19 | 59 Ų | 59 | 10% | 0.102 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -43.5 | -38.8 | 168.6 | -59 | 39 | 0 | 0 | 0 | 113.1 | S1487 L1537 R1540 V1541 | S1487-D1489 PolarHBondContact O-N 3.16Å; D1489-L1537 WeakPolarHBondContact OD1-CD1 3.41Å; D1489-R1540 IonicContact OD1-CZ 3.09Å; D1489-R1540 IonicContact OD1-NH1 3.6Å; D1489-R1540 PolarHBondContact OD1-NH1 3.42Å; D1489-R1540 WeakPolarHBondContact OD2-CD 3.48Å; D1489-V1541 HydrophobicContact CB-CG2 4.39Å |
| 1490 | K | 59.2 | Low | 61.8 | Low | 192 Ų | 192 | 57.1 Ų | 57.1 | 84% | 0.835 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -100.4 | -25.3 | -177.8 | -64.5 | -172.7 | 179.1 | -176.7 | 0 | 114.2 | S1487 A1488 | S1487-K1490 PolarHBondContact O-N 2.91Å; S1487-K1490 VanDerWaalsContact O-N 3.1Å; A1488-K1490 PolarHBondContact O-N 2.89Å |
| 1491 | R | 59.1 | Low | 62 | Low | 192 Ų | 192 | 58.6 Ų | 58.6 | 73% | 0.725 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -101.2 | -24.4 | -176 | -74.5 | -169.4 | 174.7 | -176.5 | -0.4 | 114.8 | S1487 A1488 | S1487-R1491 PolarHBondContact O-N 2.83Å; S1487-R1491 VanDerWaalsContact O-N 3.09Å; A1488-R1491 PolarHBondContact O-N 3.2Å; A1488-R1491 VanDerWaalsContact O-N 3.17Å |
| 1492 | L | 59.9 | Low | 62 | Low | 27 Ų | 27 | 56.4 Ų | 56.4 | 14% | 0.141 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -16.3 | -173.1 | -146.3 | 71.8 | 0 | 0 | 0 | 113.1 | L1482 A1488 G1494 H1495 L1496 L1499 L1537 | L1482-L1492 HydrophobicContact CD2-CD1 4.05Å; A1488-L1492 HydrophobicContact CB-CB 4.26Å; A1488-L1492 WeakPolarHBondContact O-CA 3.42Å; A1488-L1492 VanDerWaalsContact O-CB 3.26Å; A1488-L1492 WeakPolarHBondContact O-CB 3.49Å; A1488-L1492 PolarHBondContact O-N 3.49Å; L1492-G1494 PolarHBondContact O-N 2.73Å; L1492-H1495 PolarHBondContact O-N 3.24Å; L1492-L1496 HydrophobicContact CB-CD1 3.9Å; L1492-L1496 HydrophobicContact CD2-CD1 3.89Å; L1492-L1496 HydrophobicContact CG-CD1 3.92Å; L1492-L1496 WeakPolarHBondContact O-CD1 3.5Å; L1492-L1496 PolarHBondContact O-N 3.42Å; L1492-L1499 HydrophobicContact CD2-CD2 3.78Å; L1492-L1499 HydrophobicContact CG-CD2 4.39Å; L1492-L1537 HydrophobicContact CB-CD2 4.41Å; L1492-L1537 HydrophobicContact CD2-CD2 3.7Å |
| 1493 | A | 60.8 | Low | 62.5 | Low | 15 Ų | 15 | 52.4 Ų | 52.4 | 12% | 0.124 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -44.9 | -54.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | H1495 L1496 L1554 | A1493-H1495 PolarHBondContact O-N 3.27Å; A1493-L1496 WeakPolarHBondContact O-CB 3.34Å; A1493-L1496 PolarHBondContact O-N 3Å; A1493-L1496 VanDerWaalsContact O-N 3.15Å; A1493-L1554 WeakPolarHBondContact O-CD2 3.47Å |
| 1494 | G | 61.2 | Low | 62.6 | Low | 70 Ų | 70 | 52.9 Ų | 52.9 | 72% | 0.722 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -62.1 | -15.2 | -178 | 0 | 0 | 0 | 0 | 0 | 115.8 | L1492 | L1492-G1494 PolarHBondContact O-N 2.73Š|
| 1495 | H | 63.1 | Low | 62.7 | Low | 131 Ų | 131 | 53.7 Ų | 53.7 | 61% | 0.606 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -105.5 | -8.9 | -180 | -58.6 | -63.8 | 0 | 0 | 0 | 113.6 | L1492 A1493 A1498 L1499 | L1492-H1495 PolarHBondContact O-N 3.24Å; A1493-H1495 PolarHBondContact O-N 3.27Å; H1495-A1498 PolarHBondContact O-N 3.19Å; H1495-L1499 WeakPolarHBondContact O-CB 3.49Å; H1495-L1499 PolarHBondContact O-N 3.32Å |
| 1496 | L | 71.1 | Confident | 62.7 | Low | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -52.7 | -47.1 | -172.8 | -113.9 | 58 | 0 | 0 | 0 | 115.1 | L1492 A1493 L1499 L1500 V1534 L1537 V1538 V1541 | L1492-L1496 HydrophobicContact CB-CD1 3.9Å; L1492-L1496 HydrophobicContact CD2-CD1 3.89Å; L1492-L1496 HydrophobicContact CG-CD1 3.92Å; L1492-L1496 WeakPolarHBondContact O-CD1 3.5Å; L1492-L1496 PolarHBondContact O-N 3.42Å; A1493-L1496 WeakPolarHBondContact O-CB 3.34Å; A1493-L1496 PolarHBondContact O-N 3Å; A1493-L1496 VanDerWaalsContact O-N 3.15Å; L1496-L1499 PolarHBondContact O-N 2.97Å; L1496-L1500 WeakPolarHBondContact O-CB 3.48Å; L1496-L1500 PolarHBondContact O-N 2.91Å; L1496-V1534 HydrophobicContact CG-CG1 4.45Å; L1496-L1537 HydrophobicContact CD1-CD2 3.82Å; L1496-L1537 HydrophobicContact CD1-CG 4.31Å; L1496-L1537 HydrophobicContact CD2-CG 4.35Å; L1496-V1538 HydrophobicContact CB-CG2 4.34Å; L1496-V1538 HydrophobicContact CD2-CB 3.95Å; L1496-V1538 HydrophobicContact CD2-CG1 4.1Å; L1496-V1538 HydrophobicContact CD2-CG2 3.48Å; L1496-V1538 VanDerWaalsContact CD2-CG2 3.48Å; L1496-V1538 HydrophobicContact CG-CG2 3.71Å; L1496-V1541 HydrophobicContact CD2-CB 4.47Å; L1496-V1541 HydrophobicContact CD2-CG2 4.11Å |
| 1497 | P | 63.4 | Low | 63.2 | Low | 23 Ų | 23 | 51.8 Ų | 51.8 | 15% | 0.149 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.1 | -39.1 | -176.6 | -20.5 | 34 | 0 | 0 | 0 | 112.3 | S1501 L1554 | P1497-S1501 VanDerWaalsContact O-CB 3.23Å; P1497-S1501 WeakPolarHBondContact O-CB 3.33Å; P1497-S1501 PolarHBondContact O-N 3.17Å; P1497-L1554 HydrophobicContact CG-CD2 3.63Å |
| 1498 | A | 64.5 | Low | 62.9 | Low | 76 Ų | 76 | 52.6 Ų | 52.6 | 63% | 0.628 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -70 | -39.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | H1495 G1502 | H1495-A1498 PolarHBondContact O-N 3.19Å; A1498-G1502 PolarHBondContact O-N 3.07Å |
| 1499 | L | 65.3 | Low | 62.4 | Low | 44 Ų | 44 | 59 Ų | 59 | 23% | 0.23 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.2 | -46.6 | 175 | -172.5 | 70.3 | 0 | 0 | 0 | 111.2 | I1479 L1492 H1495 L1496 G1502 L1503 V1534 | I1479-L1499 HydrophobicContact CD1-CD1 4.07Å; I1479-L1499 HydrophobicContact CG1-CD1 4.49Å; I1479-L1499 HydrophobicContact CG2-CD1 4.26Å; I1479-L1499 HydrophobicContact CG2-CD2 3.99Å; I1479-L1499 HydrophobicContact CG2-CG 4.36Å; L1492-L1499 HydrophobicContact CD2-CD2 3.78Å; L1492-L1499 HydrophobicContact CG-CD2 4.39Å; H1495-L1499 WeakPolarHBondContact O-CB 3.49Å; H1495-L1499 PolarHBondContact O-N 3.32Å; L1496-L1499 PolarHBondContact O-N 2.97Å; L1499-G1502 PolarHBondContact O-N 3.48Å; L1499-L1503 HydrophobicContact CG-CD1 4.15Å; L1499-L1503 WeakPolarHBondContact O-CB 3.46Å; L1499-L1503 VanDerWaalsContact O-CG 3.25Å; L1499-L1503 WeakPolarHBondContact O-CG 3.44Å; L1499-L1503 PolarHBondContact O-N 3.13Å; L1499-V1534 HydrophobicContact CD2-CG1 4.2Å; L1499-V1534 HydrophobicContact CD2-CG2 3.75Å; L1499-V1534 HydrophobicContact CG-CG2 4.27Å |
| 1500 | L | 70.4 | Confident | 61.8 | Low | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.4 | -43 | 179.5 | -175.9 | 145.7 | 0 | 0 | 0 | 111.8 | L1496 L1504 V1534 Q1535 V1538 L1558 V1561 | L1496-L1500 WeakPolarHBondContact O-CB 3.48Å; L1496-L1500 PolarHBondContact O-N 2.91Å; L1500-L1504 HydrophobicContact CD2-CD1 3.59Å; L1500-L1504 HydrophobicContact CD2-CG 4.48Å; L1500-L1504 HydrophobicContact CG-CD1 4.26Å; L1500-L1504 WeakPolarHBondContact O-CB 3.39Å; L1500-L1504 VanDerWaalsContact O-CG 3.26Å; L1500-L1504 WeakPolarHBondContact O-CG 3.47Å; L1500-L1504 PolarHBondContact O-N 3.45Å; L1500-V1534 HydrophobicContact CB-CG1 3.95Å; L1500-V1534 HydrophobicContact CD1-CG1 4.21Å; L1500-Q1535 HydrophobicContact CD1-CG 3.66Å; L1500-V1538 HydrophobicContact CD1-CG2 3.85Å; L1500-L1558 HydrophobicContact CD1-CD1 4.47Å; L1500-V1561 HydrophobicContact CD2-CB 4.48Å; L1500-V1561 HydrophobicContact CD2-CG1 3.63Å |
| 1501 | S | 68.9 | Low | 60.9 | Low | 40 Ų | 40 | 56.3 Ų | 56.3 | 28% | 0.28 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 172.9 | 176.3 | 0 | 0 | 0 | 0 | 112 | P1497 L1504 N1505 | P1497-S1501 VanDerWaalsContact O-CB 3.23Å; P1497-S1501 WeakPolarHBondContact O-CB 3.33Å; P1497-S1501 PolarHBondContact O-N 3.17Å; S1501-L1504 PolarHBondContact O-N 3.19Å; S1501-N1505 WeakPolarHBondContact O-CB 3.38Å; S1501-N1505 VanDerWaalsContact O-CG 3.28Å; S1501-N1505 PolarHBondContact O-N 3.03Å |
| 1502 | G | 67 | Low | 59.6 | Low | 33 Ų | 33 | 52 Ų | 52 | 34% | 0.34 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1498 L1499 N1505 L1506 | A1498-G1502 PolarHBondContact O-N 3.07Å; L1499-G1502 PolarHBondContact O-N 3.48Å; G1502-N1505 PolarHBondContact O-N 2.85Å; G1502-L1506 WeakPolarHBondContact O-CG 3.5Å; G1502-L1506 PolarHBondContact O-N 3Å |
| 1503 | L | 65.5 | Low | 58.4 | Low | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.8 | -39.9 | 177.2 | -71.4 | 170.2 | 0 | 0 | 0 | 112.6 | I1479 L1499 N1505 L1506 C1507 A1530 A1531 V1534 | I1479-L1503 HydrophobicContact CD1-CD2 4.23Å; I1479-L1503 HydrophobicContact CG2-CD1 3.99Å; L1499-L1503 HydrophobicContact CG-CD1 4.15Å; L1499-L1503 WeakPolarHBondContact O-CB 3.46Å; L1499-L1503 VanDerWaalsContact O-CG 3.25Å; L1499-L1503 WeakPolarHBondContact O-CG 3.44Å; L1499-L1503 PolarHBondContact O-N 3.13Å; L1503-N1505 VanDerWaalsContact C-N 3.35Å; L1503-L1506 HydrophobicContact CD2-CD1 4.44Å; L1503-L1506 PolarHBondContact O-N 2.89Å; L1503-C1507 PolarHBondContact O-N 2.86Å; L1503-C1507 VanDerWaalsContact O-N 3.1Å; L1503-C1507 PolarHBondContact O-SG 3.05Å; L1503-A1530 HydrophobicContact CD1-CB 3.8Å; L1503-A1530 HydrophobicContact CD2-CB 3.67Å; L1503-A1530 HydrophobicContact CG-CB 4.31Å; L1503-A1531 HydrophobicContact CB-CB 4.24Å; L1503-V1534 HydrophobicContact CD1-CB 4.33Å; L1503-V1534 HydrophobicContact CD1-CG2 3.73Å |
| 1504 | L | 67 | Low | 56.8 | Low | 12 Ų | 12 | 61.3 Ų | 61.3 | 6% | 0.063 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.1 | -36 | 173.7 | -71.4 | 174.9 | 0 | 0 | 0 | 111.7 | L1500 S1501 L1506 C1507 D1508 A1531 V1561 R1565 I1587 | L1500-L1504 HydrophobicContact CD2-CD1 3.59Å; L1500-L1504 HydrophobicContact CD2-CG 4.48Å; L1500-L1504 HydrophobicContact CG-CD1 4.26Å; L1500-L1504 WeakPolarHBondContact O-CB 3.39Å; L1500-L1504 VanDerWaalsContact O-CG 3.26Å; L1500-L1504 WeakPolarHBondContact O-CG 3.47Å; L1500-L1504 PolarHBondContact O-N 3.45Å; S1501-L1504 PolarHBondContact O-N 3.19Å; L1504-L1506 VanDerWaalsContact C-N 3.34Å; L1504-C1507 WeakPolarHBondContact O-CB 3.28Å; L1504-C1507 PolarHBondContact O-N 3Å; L1504-D1508 PolarHBondContact O-N 2.85Å; L1504-D1508 VanDerWaalsContact O-OD1 3.14Å; L1504-A1531 HydrophobicContact CD2-CB 3.9Å; L1504-A1531 HydrophobicContact CG-CB 4.4Å; L1504-V1561 HydrophobicContact CD1-CG1 4.15Å; L1504-R1565 PolarHBondContact O-NH1 3.06Å; L1504-I1587 HydrophobicContact CD2-CG2 4.25Å |
| 1505 | N | 61.1 | Low | 55.3 | Low | 76 Ų | 76 | 65.7 Ų | 65.7 | 41% | 0.406 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -68 | -32.8 | 172.8 | -72.2 | -10 | 0 | 0 | 0 | 112.7 | S1501 G1502 L1503 C1507 D1508 E1509 R1565 | S1501-N1505 WeakPolarHBondContact O-CB 3.38Å; S1501-N1505 VanDerWaalsContact O-CG 3.28Å; S1501-N1505 PolarHBondContact O-N 3.03Å; G1502-N1505 PolarHBondContact O-N 2.85Å; L1503-N1505 VanDerWaalsContact C-N 3.35Å; N1505-C1507 PolarHBondContact O-N 3.22Å; N1505-D1508 PolarHBondContact O-N 3.25Å; N1505-E1509 WeakPolarHBondContact O-CG 3.49Å; N1505-E1509 PolarHBondContact O-N 3.2Å; N1505-R1565 PolarHBondContact OD1-NH2 3.47Å |
| 1506 | L | 55.7 | Low | 53.6 | Low | 61 Ų | 61 | 68.5 Ų | 68.5 | 32% | 0.319 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -70.4 | -18.1 | 171.8 | -70 | 167.8 | 0 | 0 | 0 | 113.3 | R1472 G1502 L1503 L1504 A1527 | R1472-L1506 HydrophobicContact CG-CD2 4.48Å; G1502-L1506 WeakPolarHBondContact O-CG 3.5Å; G1502-L1506 PolarHBondContact O-N 3Å; L1503-L1506 HydrophobicContact CD2-CD1 4.44Å; L1503-L1506 PolarHBondContact O-N 2.89Å; L1504-L1506 VanDerWaalsContact C-N 3.34Å; L1506-A1527 HydrophobicContact CB-CB 4.01Å |
| 1507 | C | 64.4 | Low | 51.8 | Low | 15 Ų | 15 | 77.6 Ų | 77.6 | 10% | 0.101 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -73.8 | -52.7 | 168.6 | -59.3 | 0 | 0 | 0 | 0 | 110.3 | L1503 L1504 N1505 E1509 S1510 E1528 | L1503-C1507 PolarHBondContact O-N 2.86Å; L1503-C1507 VanDerWaalsContact O-N 3.1Å; L1503-C1507 PolarHBondContact O-SG 3.05Å; L1504-C1507 WeakPolarHBondContact O-CB 3.28Å; L1504-C1507 PolarHBondContact O-N 3Å; N1505-C1507 PolarHBondContact O-N 3.22Å; C1507-E1509 PolarHBondContact O-N 2.8Å; C1507-S1510 WeakPolarHBondContact O-CB 3.26Å; C1507-S1510 PolarHBondContact O-N 2.58Å; C1507-S1510 PolarHBondContact O-OG 2.97Å; C1507-E1528 HydrophobicContact CB-CG 4.45Å |
| 1508 | D | 54.7 | Low | 50.2 | Low | 67 Ų | 67 | 83.8 Ų | 83.8 | 36% | 0.358 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.5 | -42.4 | 179.6 | -69 | 35 | 0 | 0 | 0 | 112.9 | L1504 N1505 S1510 E1511 R1565 | L1504-D1508 PolarHBondContact O-N 2.85Å; L1504-D1508 VanDerWaalsContact O-OD1 3.14Å; N1505-D1508 PolarHBondContact O-N 3.25Å; D1508-S1510 PolarHBondContact O-N 3Å; D1508-S1510 VanDerWaalsContact O-N 3.08Å; D1508-E1511 WeakPolarHBondContact O-CB 3.49Å; D1508-E1511 PolarHBondContact O-N 3.25Å; D1508-R1565 VanDerWaalsContact CG-NH1 3.26Å; D1508-R1565 VanDerWaalsContact CG-NH2 3.33Å; D1508-R1565 IonicContact OD1-CZ 2.69Å; D1508-R1565 IonicContact OD1-NE 2.79Å; D1508-R1565 IonicContact OD1-NH1 3.72Å; D1508-R1565 PolarHBondContact OD1-NH1 2.82Å; D1508-R1565 IonicContact OD1-NH2 3.51Å; D1508-R1565 IonicContact OD2-CZ 3.48Å; D1508-R1565 IonicContact OD2-NE 3.58Å; D1508-R1565 PolarHBondContact OD2-NE 2.94Å; D1508-R1565 IonicContact OD2-NH1 2.66Å; D1508-R1565 PolarHBondContact OD2-NH1 3.01Å; D1508-R1565 IonicContact OD2-NH2 3.69Å; D1508-R1565 PolarHBondContact OD2-NH2 3.15Å |
| 1509 | E | 49.2 | Very low | 48.4 | Very low | 139 Ų | 139 | 86.9 Ų | 86.9 | 65% | 0.65 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -55.4 | -28.8 | 175.8 | -80.1 | -90.6 | 131.3 | 0 | 0 | 112.4 | N1505 C1507 E1511 S1512 | N1505-E1509 WeakPolarHBondContact O-CG 3.49Å; N1505-E1509 PolarHBondContact O-N 3.2Å; C1507-E1509 PolarHBondContact O-N 2.8Å; E1509-E1511 VanDerWaalsContact C-N 3.27Å; E1509-E1511 PolarHBondContact O-N 3.25Å; E1509-S1512 PolarHBondContact O-N 2.92Å; E1509-S1512 PolarHBondContact O-OG 2.89Å |
| 1510 | S | 46.5 | Very low | 46.8 | Very low | 42 Ų | 42 | 92.3 Ų | 92.3 | 29% | 0.294 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -79.5 | -0 | 178.3 | 74.5 | 0 | 0 | 0 | 0 | 115 | C1507 D1508 S1512 | C1507-S1510 WeakPolarHBondContact O-CB 3.26Å; C1507-S1510 PolarHBondContact O-N 2.58Å; C1507-S1510 PolarHBondContact O-OG 2.97Å; D1508-S1510 PolarHBondContact O-N 3Å; D1508-S1510 VanDerWaalsContact O-N 3.08Å; S1510-S1512 VanDerWaalsContact C-N 3.3Å |
| 1511 | E | 39.3 | Very low | 45.1 | Very low | 114 Ų | 114 | 96.9 Ų | 96.9 | 53% | 0.533 | 53% | 0.53 | S | S | . | . | G | 310 helix | trans | -78.8 | -11.4 | 168.4 | -61.4 | -170.8 | 179.7 | 0 | 0 | 113.1 | D1508 E1509 | D1508-E1511 WeakPolarHBondContact O-CB 3.49Å; D1508-E1511 PolarHBondContact O-N 3.25Å; E1509-E1511 VanDerWaalsContact C-N 3.27Å; E1509-E1511 PolarHBondContact O-N 3.25Å |
| 1512 | S | 33.5 | Very low | 43.8 | Very low | 100 Ų | 100 | 98.9 Ų | 98.9 | 70% | 0.699 | 56% | 0.556 | S | S | * | * | trans | -86.6 | -2.4 | -167.7 | 65.7 | 0 | 0 | 0 | 0 | 116.7 | E1509 S1510 | E1509-S1512 PolarHBondContact O-N 2.92Å; E1509-S1512 PolarHBondContact O-OG 2.89Å; S1510-S1512 VanDerWaalsContact C-N 3.3Å | ||
| 1513 | S | 32.9 | Very low | 42.8 | Very low | 98 Ų | 98 | 102 Ų | 102 | 69% | 0.685 | 57% | 0.569 | S | S | * | * | trans | -109.1 | 87.2 | -176.1 | 66 | 0 | 0 | 0 | 0 | 113.2 | M1515 | S1513-M1515 PolarHBondContact O-N 3.25Å; S1513-M1515 VanDerWaalsContact O-N 3.12Å | ||
| 1514 | D | 27.6 | Very low | 42.3 | Very low | 141 Ų | 141 | 104.1 Ų | 104.1 | 75% | 0.754 | 58% | 0.582 | S | S | * | * | trans | -61.2 | 106.9 | 169 | -79.1 | -48.5 | 0 | 0 | 0 | 111.4 | ||||
| 1515 | M | 29.9 | Very low | 42.5 | Very low | 161 Ų | 161 | 104.7 Ų | 104.7 | 79% | 0.793 | 59% | 0.586 | S | S | * | * | trans | -150.2 | 145.4 | 154.4 | -93.6 | -57.5 | 100.5 | 0 | 0 | 111 | S1513 | S1513-M1515 PolarHBondContact O-N 3.25Å; S1513-M1515 VanDerWaalsContact O-N 3.12Å | ||
| 1516 | F | 28.4 | Very low | 42.9 | Very low | 190 Ų | 190 | 102.8 Ų | 102.8 | 83% | 0.833 | 58% | 0.578 | S | S | * | * | trans | -66.9 | 131.5 | -173.5 | -48.3 | -98.3 | 0 | 0 | 0 | 112.8 | ||||
| 1517 | E | 31.9 | Very low | 43.4 | Very low | 191 Ų | 191 | 99.9 Ų | 99.9 | 89% | 0.893 | 56% | 0.563 | S | S | * | * | trans | -158 | 166.9 | 137.2 | -123.5 | 170 | -157.7 | 0 | 0 | 112.5 | ||||
| 1518 | N | 30.3 | Very low | 43.7 | Very low | 154 Ų | 154 | 99.9 Ų | 99.9 | 82% | 0.824 | 56% | 0.561 | S | S | * | * | trans | -76.5 | 163 | -161 | -68.6 | -55.5 | 0 | 0 | 0 | 115.5 | ||||
| 1519 | D | 27.5 | Very low | 44.6 | Very low | 140 Ų | 140 | 100 Ų | 100 | 75% | 0.749 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -50.1 | 155.7 | 174.2 | -58.4 | -71.7 | 0 | 0 | 0 | 115.2 | ||
| 1520 | N | 30.3 | Very low | 45.7 | Very low | 159 Ų | 159 | 93.4 Ų | 93.4 | 85% | 0.85 | 53% | 0.529 | S | S | * | . | trans | 87 | 64.4 | 165.7 | -48 | -76.4 | 0 | 0 | 0 | 118.6 | ||||
| 1521 | S | 36.5 | Very low | 47.1 | Very low | 98 Ų | 98 | 91.4 Ų | 91.4 | 69% | 0.685 | 52% | 0.515 | S | S | * | . | -166.2 | 146.1 | 125.6 | 45.4 | 0 | 0 | 0 | 0 | 113.1 | V1523 | S1521-V1523 PolarHBondContact O-N 3.13Š| |||
| 1522 | G | 40.4 | Very low | 48.8 | Very low | 81 Ų | 81 | 86.3 Ų | 86.3 | 84% | 0.835 | 49% | 0.491 | S | S | * | . | trans | -79.4 | 53.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1524 | G1522-T1524 PolarHBondContact O-N 2.94Å; G1522-T1524 VanDerWaalsContact O-N 3.15Å | ||
| 1523 | V | 45.5 | Very low | 50.9 | Low | 99 Ų | 99 | 82.4 Ų | 82.4 | 60% | 0.6 | 46% | 0.463 | S | S | * | . | trans | -73 | 104.4 | 178.4 | -176.9 | 0 | 0 | 0 | 0 | 109.4 | S1521 R1581 | S1521-V1523 PolarHBondContact O-N 3.13Å; V1523-R1581 PolarHBondContact O-NH2 3.1Å | ||
| 1524 | T | 55.2 | Low | 53.1 | Low | 49 Ų | 49 | 77.8 Ų | 77.8 | 30% | 0.301 | 43% | 0.431 | S | S | . | . | trans | -62.4 | 138.5 | 170.5 | 47.8 | 0 | 0 | 0 | 0 | 110.2 | G1522 E1528 I1532 | G1522-T1524 PolarHBondContact O-N 2.94Å; G1522-T1524 VanDerWaalsContact O-N 3.15Å; T1524-E1528 VanDerWaalsContact CA-OE2 3.31Å; T1524-E1528 WeakPolarHBondContact CA-OE2 3.42Å; T1524-E1528 HydrophobicContact CG2-CB 4.38Å; T1524-I1532 HydrophobicContact CG2-CD1 4.33Å | ||
| 1525 | T | 70.8 | Confident | 55.4 | Low | 23 Ų | 23 | 71.3 Ų | 71.3 | 14% | 0.141 | 40% | 0.396 | C | S | . | . | trans | -65.7 | 158.3 | 171.7 | 73 | 0 | 0 | 0 | 0 | 110.8 | A1527 E1528 E1529 | T1525-A1527 PolarHBondContact O-N 3.43Å; T1525-A1527 PolarHBondContact OG1-N 3.5Å; T1525-E1528 PolarHBondContact N-OE2 3.26Å; T1525-E1528 WeakPolarHBondContact O-CB 3.34Å; T1525-E1528 PolarHBondContact O-N 3Å; T1525-E1528 WeakPolarHBondContact OG1-CG 3.47Å; T1525-E1528 PolarHBondContact OG1-N 2.88Å; T1525-E1528 VanDerWaalsContact OG1-N 3.1Å; T1525-E1529 PolarHBondContact O-N 3.13Å | ||
| 1526 | P | 69.6 | Low | 57.7 | Low | 36 Ų | 36 | 68.1 Ų | 68.1 | 23% | 0.234 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -55.5 | -33 | 172.7 | -29.3 | 38.3 | 0 | 0 | 0 | 113.1 | D1473 C1476 L1477 A1530 | D1473-P1526 HydrophobicContact CB-CB 3.99Å; D1473-P1526 HydrophobicContact CB-CG 3.85Å; C1476-P1526 HydrophobicContact CB-CB 4.05Å; C1476-P1526 VanDerWaalsContact CB-O 3.27Å; C1476-P1526 WeakPolarHBondContact CB-O 3.19Å; L1477-P1526 HydrophobicContact CG-CB 4.35Å; P1526-A1530 WeakPolarHBondContact O-CB 3.24Å; P1526-A1530 PolarHBondContact O-N 3.31Å; P1526-A1530 VanDerWaalsContact O-N 3.08Å |
| 1527 | A | 67.5 | Low | 60.2 | Low | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.008 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.3 | -39.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1506 T1525 A1530 A1531 | L1506-A1527 HydrophobicContact CB-CB 4.01Å; T1525-A1527 PolarHBondContact O-N 3.43Å; T1525-A1527 PolarHBondContact OG1-N 3.5Å; A1527-A1530 PolarHBondContact O-N 2.86Å; A1527-A1531 WeakPolarHBondContact O-CB 3.47Å; A1527-A1531 PolarHBondContact O-N 2.9Å |
| 1528 | E | 70.6 | Confident | 62.3 | Low | 14 Ų | 14 | 50.1 Ų | 50.1 | 7% | 0.065 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 173.1 | -73.4 | -177.4 | 94.6 | 0 | 0 | 111.6 | C1507 T1524 T1525 A1530 A1531 I1532 S1584 I1587 | C1507-E1528 HydrophobicContact CB-CG 4.45Å; T1524-E1528 VanDerWaalsContact CA-OE2 3.31Å; T1524-E1528 WeakPolarHBondContact CA-OE2 3.42Å; T1524-E1528 HydrophobicContact CG2-CB 4.38Å; T1525-E1528 PolarHBondContact N-OE2 3.26Å; T1525-E1528 WeakPolarHBondContact O-CB 3.34Å; T1525-E1528 PolarHBondContact O-N 3Å; T1525-E1528 WeakPolarHBondContact OG1-CG 3.47Å; T1525-E1528 PolarHBondContact OG1-N 2.88Å; T1525-E1528 VanDerWaalsContact OG1-N 3.1Å; E1528-A1530 VanDerWaalsContact C-N 3.32Å; E1528-A1530 PolarHBondContact O-N 3.46Å; E1528-A1531 PolarHBondContact O-N 3.43Å; E1528-I1532 WeakPolarHBondContact O-CB 3.47Å; E1528-I1532 VanDerWaalsContact O-CG1 3.25Å; E1528-I1532 WeakPolarHBondContact O-CG1 3.37Å; E1528-I1532 PolarHBondContact O-N 2.99Å; E1528-S1584 WeakPolarHBondContact OE1-CB 3.28Å; E1528-S1584 PolarHBondContact OE1-OG 3.21Å; E1528-I1587 HydrophobicContact CB-CD1 3.95Å; E1528-I1587 HydrophobicContact CG-CD1 3.72Å |
| 1529 | E | 72.6 | Confident | 64.3 | Low | 70 Ų | 70 | 43.8 Ų | 43.8 | 33% | 0.327 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 177.6 | -164.6 | -154.7 | 118.8 | 0 | 0 | 111.4 | L1477 S1480 T1525 I1532 T1533 | L1477-E1529 WeakPolarHBondContact CD2-OE2 3.15Å; S1480-E1529 VanDerWaalsContact CB-OE1 3.28Å; S1480-E1529 WeakPolarHBondContact CB-OE1 3.44Å; S1480-E1529 PolarHBondContact OG-OE1 3.37Å; T1525-E1529 PolarHBondContact O-N 3.13Å; E1529-I1532 PolarHBondContact O-N 2.98Å; E1529-T1533 WeakPolarHBondContact O-CB 3.21Å; E1529-T1533 WeakPolarHBondContact O-CG2 3.39Å; E1529-T1533 PolarHBondContact O-N 3.17Å; E1529-T1533 PolarHBondContact O-OG1 2.89Å |
| 1530 | A | 72.3 | Confident | 66.6 | Low | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.4 | -41.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | C1476 L1503 P1526 A1527 E1528 T1533 V1534 | C1476-A1530 HydrophobicContact CB-CB 3.86Å; C1476-A1530 WeakPolarHBondContact O-CB 3.11Å; L1503-A1530 HydrophobicContact CD1-CB 3.8Å; L1503-A1530 HydrophobicContact CD2-CB 3.67Å; L1503-A1530 HydrophobicContact CG-CB 4.31Å; P1526-A1530 WeakPolarHBondContact O-CB 3.24Å; P1526-A1530 PolarHBondContact O-N 3.31Å; P1526-A1530 VanDerWaalsContact O-N 3.08Å; A1527-A1530 PolarHBondContact O-N 2.86Å; E1528-A1530 VanDerWaalsContact C-N 3.32Å; E1528-A1530 PolarHBondContact O-N 3.46Å; A1530-T1533 WeakPolarHBondContact CA-OG1 3.19Å; A1530-T1533 PolarHBondContact O-N 3.29Å; A1530-T1533 PolarHBondContact O-OG1 2.84Å; A1530-T1533 VanDerWaalsContact O-OG1 3.07Å; A1530-V1534 WeakPolarHBondContact O-CB 3.12Å; A1530-V1534 VanDerWaalsContact O-CG2 3.28Å; A1530-V1534 WeakPolarHBondContact O-CG2 3.11Å; A1530-V1534 PolarHBondContact O-N 3.19Å |
| 1531 | A | 75.8 | Confident | 68.6 | Low | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.8 | -45.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1503 L1504 A1527 E1528 T1533 V1534 Q1535 | L1503-A1531 HydrophobicContact CB-CB 4.24Å; L1504-A1531 HydrophobicContact CD2-CB 3.9Å; L1504-A1531 HydrophobicContact CG-CB 4.4Å; A1527-A1531 WeakPolarHBondContact O-CB 3.47Å; A1527-A1531 PolarHBondContact O-N 2.9Å; E1528-A1531 PolarHBondContact O-N 3.43Å; A1531-T1533 PolarHBondContact O-N 2.79Å; A1531-V1534 PolarHBondContact O-N 2.83Å; A1531-Q1535 WeakPolarHBondContact O-CB 3.46Å; A1531-Q1535 VanDerWaalsContact O-CG 3.25Å; A1531-Q1535 WeakPolarHBondContact O-CG 3.49Å; A1531-Q1535 PolarHBondContact O-N 2.87Å |
| 1532 | I | 75.5 | Confident | 70.1 | Confident | 7 Ų | 7 | 29.1 Ų | 29.1 | 4% | 0.036 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.1 | -44.7 | 176 | -76.2 | 167.8 | 0 | 0 | 0 | 111.4 | T1524 E1528 E1529 K1536 E1586 I1587 L1590 | T1524-I1532 HydrophobicContact CG2-CD1 4.33Å; E1528-I1532 WeakPolarHBondContact O-CB 3.47Å; E1528-I1532 VanDerWaalsContact O-CG1 3.25Å; E1528-I1532 WeakPolarHBondContact O-CG1 3.37Å; E1528-I1532 PolarHBondContact O-N 2.99Å; E1529-I1532 PolarHBondContact O-N 2.98Å; I1532-K1536 HydrophobicContact CG2-CD 4.34Å; I1532-K1536 WeakPolarHBondContact O-CG 3.47Å; I1532-K1536 PolarHBondContact O-N 3.21Å; I1532-E1586 HydrophobicContact CD1-CB 3.88Å; I1532-E1586 HydrophobicContact CG1-CB 4.38Å; I1532-I1587 HydrophobicContact CD1-CG1 4.01Å; I1532-I1587 HydrophobicContact CG1-CD1 4.47Å; I1532-I1587 HydrophobicContact CG1-CG1 3.6Å; I1532-L1590 HydrophobicContact CB-CD1 4.13Å; I1532-L1590 HydrophobicContact CG1-CD1 4.18Å; I1532-L1590 HydrophobicContact CG2-CD1 3.69Å |
| 1533 | T | 78.5 | Confident | 71.4 | Confident | 19 Ų | 19 | 30 Ų | 30 | 12% | 0.117 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -76 | -34.7 | -178.8 | 46 | 0 | 0 | 0 | 0 | 113 | S1480 E1529 A1530 A1531 K1536 L1537 | S1480-T1533 VanDerWaalsContact CA-OG1 3.29Å; S1480-T1533 WeakPolarHBondContact CA-OG1 3.07Å; S1480-T1533 WeakPolarHBondContact CB-OG1 3.37Å; S1480-T1533 WeakPolarHBondContact OG-CG2 3.49Å; E1529-T1533 WeakPolarHBondContact O-CB 3.21Å; E1529-T1533 WeakPolarHBondContact O-CG2 3.39Å; E1529-T1533 PolarHBondContact O-N 3.17Å; E1529-T1533 PolarHBondContact O-OG1 2.89Å; A1530-T1533 WeakPolarHBondContact CA-OG1 3.19Å; A1530-T1533 PolarHBondContact O-N 3.29Å; A1530-T1533 PolarHBondContact O-OG1 2.84Å; A1530-T1533 VanDerWaalsContact O-OG1 3.07Å; A1531-T1533 PolarHBondContact O-N 2.79Å; T1533-K1536 PolarHBondContact O-N 3.05Å; T1533-L1537 PolarHBondContact O-N 3.19Å |
| 1534 | V | 77.6 | Confident | 72.3 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -68 | -40.1 | 170.5 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | I1479 A1483 L1496 L1499 L1500 L1503 A1530 A1531 K1536 L1537 V1538 | I1479-V1534 HydrophobicContact CG2-CG2 3.74Å; A1483-V1534 HydrophobicContact CB-CG2 4.16Å; L1496-V1534 HydrophobicContact CG-CG1 4.45Å; L1499-V1534 HydrophobicContact CD2-CG1 4.2Å; L1499-V1534 HydrophobicContact CD2-CG2 3.75Å; L1499-V1534 HydrophobicContact CG-CG2 4.27Å; L1500-V1534 HydrophobicContact CB-CG1 3.95Å; L1500-V1534 HydrophobicContact CD1-CG1 4.21Å; L1503-V1534 HydrophobicContact CD1-CB 4.33Å; L1503-V1534 HydrophobicContact CD1-CG2 3.73Å; A1530-V1534 WeakPolarHBondContact O-CB 3.12Å; A1530-V1534 VanDerWaalsContact O-CG2 3.28Å; A1530-V1534 WeakPolarHBondContact O-CG2 3.11Å; A1530-V1534 PolarHBondContact O-N 3.19Å; A1531-V1534 PolarHBondContact O-N 2.83Å; V1534-K1536 PolarHBondContact O-N 3.24Å; V1534-L1537 CarbonylContact O-C 3.54Å; V1534-L1537 WeakPolarHBondContact O-CB 3.47Å; V1534-L1537 PolarHBondContact O-N 3.17Å; V1534-L1537 VanDerWaalsContact O-N 3.11Å; V1534-V1538 HydrophobicContact CG1-CG2 4.23Å; V1534-V1538 WeakPolarHBondContact O-CG2 3.26Å; V1534-V1538 PolarHBondContact O-N 3.05Å |
| 1535 | Q | 76.8 | Confident | 72.1 | Confident | 6 Ų | 6 | 30.5 Ų | 30.5 | 3% | 0.028 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.9 | -46.4 | 171.2 | -77.4 | 172.1 | -16.4 | 0 | 0 | 111.8 | L1500 A1531 L1537 V1538 I1539 L1590 L1594 | L1500-Q1535 HydrophobicContact CD1-CG 3.66Å; A1531-Q1535 WeakPolarHBondContact O-CB 3.46Å; A1531-Q1535 VanDerWaalsContact O-CG 3.25Å; A1531-Q1535 WeakPolarHBondContact O-CG 3.49Å; A1531-Q1535 PolarHBondContact O-N 2.87Å; Q1535-L1537 VanDerWaalsContact C-N 3.3Å; Q1535-L1537 PolarHBondContact O-N 3.01Å; Q1535-V1538 PolarHBondContact O-N 2.79Å; Q1535-V1538 VanDerWaalsContact O-N 3.13Å; Q1535-I1539 WeakPolarHBondContact O-CG1 3.38Å; Q1535-I1539 PolarHBondContact O-N 3.08Å; Q1535-L1590 HydrophobicContact CB-CB 4.06Å; Q1535-L1590 HydrophobicContact CB-CD2 4.32Å; Q1535-L1594 HydrophobicContact CG-CD2 4.44Å |
| 1536 | K | 77.7 | Confident | 71.3 | Confident | 94 Ų | 94 | 35.4 Ų | 35.4 | 41% | 0.409 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60 | -36.3 | 174.1 | -72.4 | 171 | -171.7 | 173.4 | 0 | 112.5 | I1532 T1533 V1534 R1540 L1590 | I1532-K1536 HydrophobicContact CG2-CD 4.34Å; I1532-K1536 WeakPolarHBondContact O-CG 3.47Å; I1532-K1536 PolarHBondContact O-N 3.21Å; T1533-K1536 PolarHBondContact O-N 3.05Å; V1534-K1536 PolarHBondContact O-N 3.24Å; K1536-R1540 PolarHBondContact O-N 3.31Å; K1536-L1590 HydrophobicContact CG-CD1 4.23Å; K1536-L1590 HydrophobicContact CG-CD2 3.56Å |
| 1537 | L | 80.5 | Confident | 70.6 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.1 | -39.1 | 173.1 | 174.5 | 61.6 | 0 | 0 | 0 | 112.1 | A1483 A1488 D1489 L1492 L1496 T1533 V1534 Q1535 R1540 V1541 | A1483-L1537 HydrophobicContact CB-CB 4.27Å; A1483-L1537 HydrophobicContact CB-CD2 4.08Å; A1488-L1537 HydrophobicContact CB-CD1 4.06Å; A1488-L1537 HydrophobicContact CB-CD2 3.76Å; D1489-L1537 WeakPolarHBondContact OD1-CD1 3.41Å; L1492-L1537 HydrophobicContact CB-CD2 4.41Å; L1492-L1537 HydrophobicContact CD2-CD2 3.7Å; L1496-L1537 HydrophobicContact CD1-CD2 3.82Å; L1496-L1537 HydrophobicContact CD1-CG 4.31Å; L1496-L1537 HydrophobicContact CD2-CG 4.35Å; T1533-L1537 PolarHBondContact O-N 3.19Å; V1534-L1537 CarbonylContact O-C 3.54Å; V1534-L1537 WeakPolarHBondContact O-CB 3.47Å; V1534-L1537 PolarHBondContact O-N 3.17Å; V1534-L1537 VanDerWaalsContact O-N 3.11Å; Q1535-L1537 VanDerWaalsContact C-N 3.3Å; Q1535-L1537 PolarHBondContact O-N 3.01Å; L1537-R1540 VanDerWaalsContact CD1-NH1 3.3Å; L1537-R1540 WeakPolarHBondContact O-CB 3.48Å; L1537-R1540 PolarHBondContact O-N 3.01Å; L1537-V1541 HydrophobicContact CD1-CG2 4.24Å; L1537-V1541 WeakPolarHBondContact O-CG2 3.46Å; L1537-V1541 PolarHBondContact O-N 3.26Å |
| 1538 | V | 76.1 | Confident | 69.8 | Low | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.9 | -40.1 | 179.2 | -167.3 | 0 | 0 | 0 | 0 | 111.2 | L1496 L1500 V1534 Q1535 R1540 V1541 L1542 L1558 L1594 | L1496-V1538 HydrophobicContact CB-CG2 4.34Å; L1496-V1538 HydrophobicContact CD2-CB 3.95Å; L1496-V1538 HydrophobicContact CD2-CG1 4.1Å; L1496-V1538 HydrophobicContact CD2-CG2 3.48Å; L1496-V1538 VanDerWaalsContact CD2-CG2 3.48Å; L1496-V1538 HydrophobicContact CG-CG2 3.71Å; L1500-V1538 HydrophobicContact CD1-CG2 3.85Å; V1534-V1538 HydrophobicContact CG1-CG2 4.23Å; V1534-V1538 WeakPolarHBondContact O-CG2 3.26Å; V1534-V1538 PolarHBondContact O-N 3.05Å; Q1535-V1538 PolarHBondContact O-N 2.79Å; Q1535-V1538 VanDerWaalsContact O-N 3.13Å; V1538-R1540 VanDerWaalsContact C-N 3.34Å; V1538-R1540 PolarHBondContact O-N 2.89Å; V1538-V1541 PolarHBondContact O-N 3.16Å; V1538-L1542 HydrophobicContact CG1-CD1 4.27Å; V1538-L1542 HydrophobicContact CG1-CG 4.44Å; V1538-L1542 WeakPolarHBondContact O-CG 3.49Å; V1538-L1542 PolarHBondContact O-N 2.92Å; V1538-L1558 HydrophobicContact CG1-CD1 3.88Å; V1538-L1558 HydrophobicContact CG1-CD2 3.53Å; V1538-L1558 HydrophobicContact CG1-CG 4.36Å; V1538-L1558 HydrophobicContact CG2-CD1 4.49Å; V1538-L1594 HydrophobicContact CB-CD1 3.7Å; V1538-L1594 HydrophobicContact CG1-CD1 3.66Å |
| 1539 | I | 72.4 | Confident | 69.1 | Low | 21 Ų | 21 | 49.7 Ų | 49.7 | 11% | 0.108 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.1 | -51.3 | 171 | -67 | 172.4 | 0 | 0 | 0 | 109.9 | Q1535 V1541 L1542 E1543 L1590 E1593 L1594 A1597 | Q1535-I1539 WeakPolarHBondContact O-CG1 3.38Å; Q1535-I1539 PolarHBondContact O-N 3.08Å; I1539-V1541 VanDerWaalsContact C-N 3.32Å; I1539-V1541 PolarHBondContact O-N 3.14Å; I1539-L1542 PolarHBondContact O-N 3.43Å; I1539-E1543 HydrophobicContact CG2-CG 4.33Å; I1539-E1543 WeakPolarHBondContact O-CG 3.44Å; I1539-E1543 PolarHBondContact O-N 3.19Å; I1539-L1590 HydrophobicContact CD1-CD2 3.73Å; I1539-E1593 HydrophobicContact CD1-CB 3.85Å; I1539-L1594 HydrophobicContact CD1-CB 4.31Å; I1539-L1594 HydrophobicContact CG1-CB 3.96Å; I1539-L1594 HydrophobicContact CG1-CD1 3.71Å; I1539-L1594 HydrophobicContact CG1-CG 4.46Å; I1539-A1597 HydrophobicContact CG2-CB 4.26Å |
| 1540 | R | 75.5 | Confident | 68.3 | Low | 82 Ų | 82 | 48.6 Ų | 48.6 | 31% | 0.309 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.5 | -39.6 | -179.9 | -161.1 | -162.5 | -51.2 | 137.8 | 9.7 | 112.7 | A1483 H1485 D1489 K1536 L1537 V1538 N1544 | A1483-R1540 PolarHBondContact O-NH2 2.75Å; H1485-R1540 PolarHBondContact O-NH1 2.96Å; D1489-R1540 IonicContact OD1-CZ 3.09Å; D1489-R1540 IonicContact OD1-NH1 3.6Å; D1489-R1540 PolarHBondContact OD1-NH1 3.42Å; D1489-R1540 WeakPolarHBondContact OD2-CD 3.48Å; K1536-R1540 PolarHBondContact O-N 3.31Å; L1537-R1540 VanDerWaalsContact CD1-NH1 3.3Å; L1537-R1540 WeakPolarHBondContact O-CB 3.48Å; L1537-R1540 PolarHBondContact O-N 3.01Å; V1538-R1540 VanDerWaalsContact C-N 3.34Å; V1538-R1540 PolarHBondContact O-N 2.89Å; R1540-N1544 VanDerWaalsContact O-CB 3.32Å; R1540-N1544 WeakPolarHBondContact O-CB 3.24Å; R1540-N1544 PolarHBondContact O-N 2.79Å |
| 1541 | V | 73.2 | Confident | 67.5 | Low | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.3 | -50.8 | 175.1 | 169 | 0 | 0 | 0 | 0 | 110.5 | D1489 L1496 L1537 V1538 I1539 E1543 N1544 S1547 L1554 | D1489-V1541 HydrophobicContact CB-CG2 4.39Å; L1496-V1541 HydrophobicContact CD2-CB 4.47Å; L1496-V1541 HydrophobicContact CD2-CG2 4.11Å; L1537-V1541 HydrophobicContact CD1-CG2 4.24Å; L1537-V1541 WeakPolarHBondContact O-CG2 3.46Å; L1537-V1541 PolarHBondContact O-N 3.26Å; V1538-V1541 PolarHBondContact O-N 3.16Å; I1539-V1541 VanDerWaalsContact C-N 3.32Å; I1539-V1541 PolarHBondContact O-N 3.14Å; V1541-E1543 PolarHBondContact O-N 3.41Å; V1541-N1544 WeakPolarHBondContact O-CB 3.47Å; V1541-N1544 PolarHBondContact O-N 3.02Å; V1541-N1544 VanDerWaalsContact O-N 3.13Å; V1541-S1547 PolarHBondContact O-OG 3.37Å; V1541-L1554 HydrophobicContact CG1-CD1 3.93Å |
| 1542 | L | 67.8 | Low | 66.5 | Low | 6 Ų | 6 | 51.8 Ų | 51.8 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.1 | -45.4 | 179.5 | -69.1 | 172.8 | 0 | 0 | 0 | 111.7 | V1538 I1539 N1544 A1551 L1555 L1558 L1594 A1597 A1598 T1601 | V1538-L1542 HydrophobicContact CG1-CD1 4.27Å; V1538-L1542 HydrophobicContact CG1-CG 4.44Å; V1538-L1542 WeakPolarHBondContact O-CG 3.49Å; V1538-L1542 PolarHBondContact O-N 2.92Å; I1539-L1542 PolarHBondContact O-N 3.43Å; L1542-N1544 PolarHBondContact O-N 3.06Å; L1542-A1551 HydrophobicContact CD2-CB 3.96Å; L1542-L1555 HydrophobicContact CD2-CD2 4.07Å; L1542-L1555 HydrophobicContact CD2-CG 4.17Å; L1542-L1558 HydrophobicContact CD1-CD2 4.17Å; L1542-L1594 HydrophobicContact CD1-CD1 3.8Å; L1542-A1597 HydrophobicContact CB-CB 4.13Å; L1542-A1597 HydrophobicContact CD1-CB 4.15Å; L1542-A1598 HydrophobicContact CD1-CB 4.31Å; L1542-T1601 HydrophobicContact CB-CG2 4.2Å; L1542-T1601 WeakPolarHBondContact O-CG2 3.2Å |
| 1543 | E | 67.2 | Low | 66 | Low | 99 Ų | 99 | 54.3 Ų | 54.3 | 46% | 0.463 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -69.5 | -12.8 | 179.5 | -67 | -172.9 | 143.7 | 0 | 0 | 114.1 | I1539 V1541 P1545 A1597 R1600 | I1539-E1543 HydrophobicContact CG2-CG 4.33Å; I1539-E1543 WeakPolarHBondContact O-CG 3.44Å; I1539-E1543 PolarHBondContact O-N 3.19Å; V1541-E1543 PolarHBondContact O-N 3.41Å; E1543-P1545 WeakPolarHBondContact O-CD 3.18Å; E1543-A1597 HydrophobicContact CG-CB 4.21Å; E1543-R1600 IonicContact OE1-CZ 3.74Å; E1543-R1600 IonicContact OE1-NH1 3.49Å; E1543-R1600 PolarHBondContact OE1-NH1 3.06Å; E1543-R1600 IonicContact OE1-NH2 3.73Å; E1543-R1600 PolarHBondContact OE1-NH2 3.49Å |
| 1544 | N | 65.1 | Low | 65.3 | Low | 56 Ų | 56 | 54 Ų | 54 | 30% | 0.299 | 30% | 0.297 | S | S | . | . | trans | -86.3 | 108 | -177.2 | -167.7 | -29.7 | 0 | 0 | 0 | 111.8 | R1540 V1541 L1542 C1546 S1547 | R1540-N1544 VanDerWaalsContact O-CB 3.32Å; R1540-N1544 WeakPolarHBondContact O-CB 3.24Å; R1540-N1544 PolarHBondContact O-N 2.79Å; V1541-N1544 WeakPolarHBondContact O-CB 3.47Å; V1541-N1544 PolarHBondContact O-N 3.02Å; V1541-N1544 VanDerWaalsContact O-N 3.13Å; L1542-N1544 PolarHBondContact O-N 3.06Å; N1544-C1546 VanDerWaalsContact C-N 3.27Å; N1544-C1546 PolarHBondContact O-N 3.16Å; N1544-S1547 WeakPolarHBondContact O-CB 3.3Å; N1544-S1547 PolarHBondContact O-N 3.01Å; N1544-S1547 PolarHBondContact O-OG 2.87Å | ||
| 1545 | P | 51.2 | Low | 64.7 | Low | 102 Ų | 102 | 54.3 Ų | 54.3 | 66% | 0.662 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -66.2 | -26.1 | -167.6 | 26.9 | -35.8 | 0 | 0 | 0 | 113.7 | E1543 S1547 R1548 | E1543-P1545 WeakPolarHBondContact O-CD 3.18Å; P1545-S1547 PolarHBondContact O-N 3.01Å; P1545-R1548 PolarHBondContact O-N 3.43Å |
| 1546 | C | 53.5 | Low | 64 | Low | 127 Ų | 127 | 58.3 Ų | 58.3 | 86% | 0.858 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -69.8 | -7.8 | 175.8 | -62.5 | 0 | 0 | 0 | 0 | 113.4 | N1544 | N1544-C1546 VanDerWaalsContact C-N 3.27Å; N1544-C1546 PolarHBondContact O-N 3.16Å |
| 1547 | S | 55.2 | Low | 63.5 | Low | 23 Ų | 23 | 55.6 Ų | 55.6 | 16% | 0.161 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -103.7 | 7.2 | 179.9 | 83.4 | 0 | 0 | 0 | 0 | 113.9 | V1541 N1544 P1545 E1549 A1550 A1551 | V1541-S1547 PolarHBondContact O-OG 3.37Å; N1544-S1547 WeakPolarHBondContact O-CB 3.3Å; N1544-S1547 PolarHBondContact O-N 3.01Å; N1544-S1547 PolarHBondContact O-OG 2.87Å; P1545-S1547 PolarHBondContact O-N 3.01Å; S1547-E1549 PolarHBondContact O-N 2.86Å; S1547-A1550 CarbonylContact O-C 3.24Å; S1547-A1550 WeakPolarHBondContact O-CA 3.28Å; S1547-A1550 WeakPolarHBondContact O-CB 3.38Å; S1547-A1550 PolarHBondContact O-N 3.42Å; S1547-A1551 PolarHBondContact O-N 3Å |
| 1548 | R | 51 | Low | 62.9 | Low | 158 Ų | 158 | 55.7 Ų | 55.7 | 60% | 0.596 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -53.1 | -33.5 | -166.2 | -161.2 | 171 | -168.4 | 135.5 | 8.4 | 114.9 | P1545 T1552 | P1545-R1548 PolarHBondContact O-N 3.43Å; R1548-T1552 PolarHBondContact O-N 3.28Å; R1548-T1552 PolarHBondContact O-OG1 3.43Å |
| 1549 | E | 54.8 | Low | 62.4 | Low | 170 Ų | 170 | 56.1 Ų | 56.1 | 79% | 0.794 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -70.4 | -44.1 | 173.9 | -62.4 | -172.5 | 150.4 | 0 | 0 | 112.6 | S1547 A1551 T1552 G1553 | S1547-E1549 PolarHBondContact O-N 2.86Å; E1549-A1551 VanDerWaalsContact C-N 3.33Å; E1549-A1551 PolarHBondContact O-N 3.31Å; E1549-T1552 WeakPolarHBondContact CA-OG1 3.44Å; E1549-T1552 PolarHBondContact O-N 2.9Å; E1549-T1552 PolarHBondContact O-OG1 2.98Å; E1549-G1553 PolarHBondContact O-N 3.47Å; E1549-G1553 VanDerWaalsContact O-N 3.09Å |
| 1550 | A | 55.9 | Low | 61.8 | Low | 46 Ų | 46 | 58.4 Ų | 58.4 | 38% | 0.38 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111 | S1547 T1552 G1553 L1554 | S1547-A1550 CarbonylContact O-C 3.24Å; S1547-A1550 WeakPolarHBondContact O-CA 3.28Å; S1547-A1550 WeakPolarHBondContact O-CB 3.38Å; S1547-A1550 PolarHBondContact O-N 3.42Å; A1550-T1552 VanDerWaalsContact C-N 3.32Å; A1550-T1552 PolarHBondContact O-N 3.17Å; A1550-G1553 PolarHBondContact O-N 2.79Å; A1550-L1554 WeakPolarHBondContact O-CB 3.42Å; A1550-L1554 VanDerWaalsContact O-CG 3.23Å; A1550-L1554 WeakPolarHBondContact O-CG 3.13Å; A1550-L1554 PolarHBondContact O-N 3.22Å |
| 1551 | A | 56 | Low | 61.3 | Low | 2 Ų | 2 | 55.7 Ų | 55.7 | 2% | 0.017 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.6 | -41.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1542 S1547 E1549 G1553 L1554 L1555 | L1542-A1551 HydrophobicContact CD2-CB 3.96Å; S1547-A1551 PolarHBondContact O-N 3Å; E1549-A1551 VanDerWaalsContact C-N 3.33Å; E1549-A1551 PolarHBondContact O-N 3.31Å; A1551-G1553 VanDerWaalsContact C-N 3.3Å; A1551-G1553 PolarHBondContact O-N 2.93Å; A1551-L1554 PolarHBondContact O-N 3.36Å; A1551-L1555 VanDerWaalsContact O-CG 3.31Å; A1551-L1555 WeakPolarHBondContact O-CG 3.39Å; A1551-L1555 PolarHBondContact O-N 3.37Å |
| 1552 | T | 55.3 | Low | 60.9 | Low | 66 Ų | 66 | 56.1 Ų | 56.1 | 41% | 0.405 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.7 | -27.1 | 174.6 | 49.4 | 0 | 0 | 0 | 0 | 114.3 | R1548 E1549 A1550 P1556 | R1548-T1552 PolarHBondContact O-N 3.28Å; R1548-T1552 PolarHBondContact O-OG1 3.43Å; E1549-T1552 WeakPolarHBondContact CA-OG1 3.44Å; E1549-T1552 PolarHBondContact O-N 2.9Å; E1549-T1552 PolarHBondContact O-OG1 2.98Å; A1550-T1552 VanDerWaalsContact C-N 3.32Å; A1550-T1552 PolarHBondContact O-N 3.17Å; T1552-P1556 VanDerWaalsContact O-CD 3.32Å; T1552-P1556 WeakPolarHBondContact O-CD 3.48Å |
| 1553 | G | 64 | Low | 60.3 | Low | 60 Ų | 60 | 57.8 Ų | 57.8 | 62% | 0.619 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -77.3 | -30.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | E1549 A1550 A1551 | E1549-G1553 PolarHBondContact O-N 3.47Å; E1549-G1553 VanDerWaalsContact O-N 3.09Å; A1550-G1553 PolarHBondContact O-N 2.79Å; A1551-G1553 VanDerWaalsContact C-N 3.3Å; A1551-G1553 PolarHBondContact O-N 2.93Å |
| 1554 | L | 65.3 | Low | 59.7 | Low | 13 Ų | 13 | 61 Ų | 61 | 7% | 0.068 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -80.6 | -41.7 | -177.5 | -71.4 | 167 | 0 | 0 | 0 | 113.4 | A1493 P1497 V1541 A1550 A1551 G1557 L1558 | A1493-L1554 WeakPolarHBondContact O-CD2 3.47Å; P1497-L1554 HydrophobicContact CG-CD2 3.63Å; V1541-L1554 HydrophobicContact CG1-CD1 3.93Å; A1550-L1554 WeakPolarHBondContact O-CB 3.42Å; A1550-L1554 VanDerWaalsContact O-CG 3.23Å; A1550-L1554 WeakPolarHBondContact O-CG 3.13Å; A1550-L1554 PolarHBondContact O-N 3.22Å; A1551-L1554 PolarHBondContact O-N 3.36Å; L1554-G1557 PolarHBondContact O-N 3.45Å; L1554-G1557 VanDerWaalsContact O-N 3.09Å; L1554-L1558 WeakPolarHBondContact O-CB 3.45Å; L1554-L1558 PolarHBondContact O-N 3.03Å |
| 1555 | L | 65.4 | Low | 59.3 | Low | 6 Ų | 6 | 62.4 Ų | 62.4 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -53.1 | -43 | -174 | -79.5 | 168.1 | 0 | 0 | 0 | 114.7 | L1542 A1551 G1557 L1558 L1559 A1598 A1602 | L1542-L1555 HydrophobicContact CD2-CD2 4.07Å; L1542-L1555 HydrophobicContact CD2-CG 4.17Å; A1551-L1555 VanDerWaalsContact O-CG 3.31Å; A1551-L1555 WeakPolarHBondContact O-CG 3.39Å; A1551-L1555 PolarHBondContact O-N 3.37Å; L1555-G1557 VanDerWaalsContact C-N 3.31Å; L1555-G1557 PolarHBondContact O-N 3.27Å; L1555-L1558 PolarHBondContact O-N 2.93Å; L1555-L1559 HydrophobicContact CD2-CD1 4.49Å; L1555-L1559 WeakPolarHBondContact O-CB 3.43Å; L1555-L1559 PolarHBondContact O-N 2.97Å; L1555-A1598 HydrophobicContact CD2-CB 3.58Å; L1555-A1602 HydrophobicContact CD1-CB 3.81Å |
| 1556 | P | 61.3 | Low | 59.2 | Low | 89 Ų | 89 | 58.4 Ų | 58.4 | 58% | 0.578 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63.4 | -31.5 | 178.4 | -23.8 | 35.3 | 0 | 0 | 0 | 114.3 | T1552 P1560 | T1552-P1556 VanDerWaalsContact O-CD 3.32Å; T1552-P1556 WeakPolarHBondContact O-CD 3.48Å; P1556-P1560 VanDerWaalsContact O-CD 3.22Å; P1556-P1560 WeakPolarHBondContact O-CD 3.5Å; P1556-P1560 WeakPolarHBondContact O-CG 3.39Å |
| 1557 | G | 66.1 | Low | 58.6 | Low | 38 Ų | 38 | 55.7 Ų | 55.7 | 39% | 0.392 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -87.4 | -25.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1554 L1555 | L1554-G1557 PolarHBondContact O-N 3.45Å; L1554-G1557 VanDerWaalsContact O-N 3.09Å; L1555-G1557 VanDerWaalsContact C-N 3.31Å; L1555-G1557 PolarHBondContact O-N 3.27Å |
| 1558 | L | 68.6 | Low | 57.9 | Low | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -83.9 | -43 | -177.7 | -169.9 | 80.8 | 0 | 0 | 0 | 112.8 | L1500 V1538 L1542 L1554 L1555 V1561 I1562 L1594 | L1500-L1558 HydrophobicContact CD1-CD1 4.47Å; V1538-L1558 HydrophobicContact CG1-CD1 3.88Å; V1538-L1558 HydrophobicContact CG1-CD2 3.53Å; V1538-L1558 HydrophobicContact CG1-CG 4.36Å; V1538-L1558 HydrophobicContact CG2-CD1 4.49Å; L1542-L1558 HydrophobicContact CD1-CD2 4.17Å; L1554-L1558 WeakPolarHBondContact O-CB 3.45Å; L1554-L1558 PolarHBondContact O-N 3.03Å; L1555-L1558 PolarHBondContact O-N 2.93Å; L1558-V1561 PolarHBondContact O-N 3.19Å; L1558-I1562 HydrophobicContact CD2-CD1 3.88Å; L1558-I1562 HydrophobicContact CG-CD1 3.82Å; L1558-I1562 HydrophobicContact CG-CG1 4.38Å; L1558-I1562 WeakPolarHBondContact O-CG1 3.08Å; L1558-I1562 PolarHBondContact O-N 3.47Å; L1558-L1594 HydrophobicContact CD2-CD1 4.22Å; L1558-L1594 HydrophobicContact CD2-CD2 4.42Å; L1558-L1594 HydrophobicContact CD2-CG 4.4Å |
| 1559 | L | 65.2 | Low | 57.1 | Low | 12 Ų | 12 | 54.6 Ų | 54.6 | 6% | 0.063 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56 | -46.8 | -175.9 | -90.5 | 163.9 | 0 | 0 | 0 | 113.4 | L1555 V1561 I1562 I1563 L1595 A1610 | L1555-L1559 HydrophobicContact CD2-CD1 4.49Å; L1555-L1559 WeakPolarHBondContact O-CB 3.43Å; L1555-L1559 PolarHBondContact O-N 2.97Å; L1559-V1561 VanDerWaalsContact C-N 3.34Å; L1559-V1561 PolarHBondContact O-N 3.43Å; L1559-I1562 PolarHBondContact O-N 3.34Å; L1559-I1563 HydrophobicContact CB-CD1 4.29Å; L1559-I1563 HydrophobicContact CD2-CD1 4.36Å; L1559-I1563 WeakPolarHBondContact O-CB 3.44Å; L1559-I1563 WeakPolarHBondContact O-CD1 3.37Å; L1559-I1563 WeakPolarHBondContact O-CG1 3.46Å; L1559-I1563 PolarHBondContact O-N 2.69Å; L1559-L1595 HydrophobicContact CD2-CD1 4.08Å; L1559-A1610 HydrophobicContact CD2-CB 4.14Å |
| 1560 | P | 60.2 | Low | 56 | Low | 69 Ų | 69 | 52.1 Ų | 52.1 | 45% | 0.448 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56.6 | -45.2 | 177.2 | -26 | 35.7 | 0 | 0 | 0 | 112.8 | P1556 I1562 I1563 E1564 | P1556-P1560 VanDerWaalsContact O-CD 3.22Å; P1556-P1560 WeakPolarHBondContact O-CD 3.5Å; P1556-P1560 WeakPolarHBondContact O-CG 3.39Å; P1560-I1562 VanDerWaalsContact C-N 3.27Å; P1560-I1562 PolarHBondContact O-N 2.89Å; P1560-I1563 PolarHBondContact O-N 3.25Å; P1560-E1564 VanDerWaalsContact O-CB 3.29Å; P1560-E1564 WeakPolarHBondContact O-CB 3.32Å; P1560-E1564 PolarHBondContact O-N 3.21Å |
| 1561 | V | 65 | Low | 54.7 | Low | 24 Ų | 24 | 54.4 Ų | 54.4 | 15% | 0.145 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.7 | -30.6 | -178.5 | -174.7 | 0 | 0 | 0 | 0 | 112 | L1500 L1504 L1558 L1559 | L1500-V1561 HydrophobicContact CD2-CB 4.48Å; L1500-V1561 HydrophobicContact CD2-CG1 3.63Å; L1504-V1561 HydrophobicContact CD1-CG1 4.15Å; L1558-V1561 PolarHBondContact O-N 3.19Å; L1559-V1561 VanDerWaalsContact C-N 3.34Å; L1559-V1561 PolarHBondContact O-N 3.43Å |
| 1562 | I | 64.1 | Low | 53.1 | Low | 11 Ų | 11 | 58 Ų | 58 | 6% | 0.056 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -75.2 | -47 | 173 | -59.1 | 164.7 | 0 | 0 | 0 | 110.8 | L1558 L1559 P1560 E1564 R1565 A1566 A1591 L1594 L1595 | L1558-I1562 HydrophobicContact CD2-CD1 3.88Å; L1558-I1562 HydrophobicContact CG-CD1 3.82Å; L1558-I1562 HydrophobicContact CG-CG1 4.38Å; L1558-I1562 WeakPolarHBondContact O-CG1 3.08Å; L1558-I1562 PolarHBondContact O-N 3.47Å; L1559-I1562 PolarHBondContact O-N 3.34Å; P1560-I1562 VanDerWaalsContact C-N 3.27Å; P1560-I1562 PolarHBondContact O-N 2.89Å; I1562-E1564 VanDerWaalsContact C-N 3.34Å; I1562-E1564 PolarHBondContact O-N 3.4Å; I1562-R1565 PolarHBondContact O-N 2.95Å; I1562-A1566 VanDerWaalsContact O-CB 3.31Å; I1562-A1566 WeakPolarHBondContact O-CB 3.11Å; I1562-A1566 PolarHBondContact O-N 3.48Å; I1562-A1591 HydrophobicContact CG2-CB 4.39Å; I1562-L1594 HydrophobicContact CD1-CD2 3.61Å; I1562-L1594 HydrophobicContact CD1-CG 3.7Å; I1562-L1594 HydrophobicContact CG1-CD2 3.91Å; I1562-L1594 HydrophobicContact CG1-CG 4.49Å; I1562-L1595 HydrophobicContact CG2-CD1 4.07Å |
| 1563 | I | 57.1 | Low | 51.8 | Low | 41 Ų | 41 | 64.2 Ų | 64.2 | 21% | 0.21 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.9 | -39.6 | -175.7 | -70.7 | 163.5 | 0 | 0 | 0 | 111.7 | L1559 P1560 A1610 | L1559-I1563 HydrophobicContact CB-CD1 4.29Å; L1559-I1563 HydrophobicContact CD2-CD1 4.36Å; L1559-I1563 WeakPolarHBondContact O-CB 3.44Å; L1559-I1563 WeakPolarHBondContact O-CD1 3.37Å; L1559-I1563 WeakPolarHBondContact O-CG1 3.46Å; L1559-I1563 PolarHBondContact O-N 2.69Å; P1560-I1563 PolarHBondContact O-N 3.25Å; I1563-A1610 HydrophobicContact CD1-CB 3.91Å; I1563-A1610 HydrophobicContact CG1-CB 4.31Å |
| 1564 | E | 54.5 | Low | 49.9 | Very low | 166 Ų | 166 | 68 Ų | 68 | 78% | 0.776 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -78.4 | -26.7 | -175.2 | -169.4 | 167.2 | -128.9 | 0 | 0 | 113.2 | P1560 I1562 | P1560-E1564 VanDerWaalsContact O-CB 3.29Å; P1560-E1564 WeakPolarHBondContact O-CB 3.32Å; P1560-E1564 PolarHBondContact O-N 3.21Å; I1562-E1564 VanDerWaalsContact C-N 3.34Å; I1562-E1564 PolarHBondContact O-N 3.4Å |
| 1565 | R | 56.8 | Low | 47.8 | Very low | 87 Ų | 87 | 71.8 Ų | 71.8 | 33% | 0.328 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -105.5 | -16.5 | -177.8 | -78.5 | -73.6 | 175.7 | 83.2 | 12.7 | 115.9 | L1504 N1505 D1508 I1562 | L1504-R1565 PolarHBondContact O-NH1 3.06Å; N1505-R1565 PolarHBondContact OD1-NH2 3.47Å; D1508-R1565 VanDerWaalsContact CG-NH1 3.26Å; D1508-R1565 VanDerWaalsContact CG-NH2 3.33Å; D1508-R1565 IonicContact OD1-CZ 2.69Å; D1508-R1565 IonicContact OD1-NE 2.79Å; D1508-R1565 IonicContact OD1-NH1 3.72Å; D1508-R1565 PolarHBondContact OD1-NH1 2.82Å; D1508-R1565 IonicContact OD1-NH2 3.51Å; D1508-R1565 IonicContact OD2-CZ 3.48Å; D1508-R1565 IonicContact OD2-NE 3.58Å; D1508-R1565 PolarHBondContact OD2-NE 2.94Å; D1508-R1565 IonicContact OD2-NH1 2.66Å; D1508-R1565 PolarHBondContact OD2-NH1 3.01Å; D1508-R1565 IonicContact OD2-NH2 3.69Å; D1508-R1565 PolarHBondContact OD2-NH2 3.15Å; I1562-R1565 PolarHBondContact O-N 2.95Å |
| 1566 | A | 48.3 | Very low | 45.7 | Very low | 18 Ų | 18 | 76.4 Ų | 76.4 | 15% | 0.149 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -70.4 | 128.6 | 171 | 0 | 0 | 0 | 0 | 0 | 109.9 | I1562 W1568 | I1562-A1566 VanDerWaalsContact O-CB 3.31Å; I1562-A1566 WeakPolarHBondContact O-CB 3.11Å; I1562-A1566 PolarHBondContact O-N 3.48Å; A1566-W1568 HydrophobicContact CB-CZ2 4.29Å; A1566-W1568 PolarHBondContact O-N 2.84Å; A1566-W1568 VanDerWaalsContact O-N 3.08Å; A1566-W1568 PolarHBondContact O-NE1 3.05Å |
| 1567 | P | 41.3 | Very low | 43.9 | Very low | 70 Ų | 70 | 79.6 Ų | 79.6 | 46% | 0.455 | 47% | 0.47 | S | S | . | . | trans | -83.4 | 89.4 | -171.4 | 31.1 | -35 | 0 | 0 | 0 | 112.7 | S1569 R1588 | P1567-S1569 PolarHBondContact O-N 3.44Å; P1567-R1588 HydrophobicContact CG-CG 3.95Å | ||
| 1568 | W | 40.3 | Very low | 41.9 | Very low | 83 Ų | 83 | 87.6 Ų | 87.6 | 31% | 0.314 | 49% | 0.494 | S | S | . | . | trans | -92.8 | 58.9 | 179.2 | -51.3 | 91.8 | 0 | 0 | 0 | 113.2 | A1566 L1595 Q1613 L1616 S1617 | A1566-W1568 HydrophobicContact CB-CZ2 4.29Å; A1566-W1568 PolarHBondContact O-N 2.84Å; A1566-W1568 VanDerWaalsContact O-N 3.08Å; A1566-W1568 PolarHBondContact O-NE1 3.05Å; W1568-L1595 HydrophobicContact CH2-CD2 4.36Å; W1568-L1595 HydrophobicContact CZ2-CD2 4.3Å; W1568-Q1613 HydrophobicContact CD2-CB 4.04Å; W1568-Q1613 HydrophobicContact CD2-CG 3.69Å; W1568-Q1613 VanDerWaalsContact CE2-CD 3.5Å; W1568-Q1613 HydrophobicContact CE3-CB 4.16Å; W1568-Q1613 HydrophobicContact CE3-CG 4.13Å; W1568-Q1613 HydrophobicContact CG-CG 3.96Å; W1568-Q1613 VanDerWaalsContact CH2-C 3.47Å; W1568-Q1613 HydrophobicContact CH2-CB 3.66Å; W1568-Q1613 HydrophobicContact CH2-CG 4.41Å; W1568-Q1613 WeakPolarHBondContact CH2-O 3.32Å; W1568-Q1613 HydrophobicContact CZ2-CB 3.58Å; W1568-Q1613 HydrophobicContact CZ2-CG 4.07Å; W1568-Q1613 HydrophobicContact CZ3-CB 3.98Å; W1568-Q1613 HydrophobicContact CZ3-CG 4.45Å; W1568-Q1613 WeakPolarHBondContact CZ3-O 3.45Å; W1568-Q1613 VanDerWaalsContact NE1-OE1 3.1Å; W1568-L1616 HydrophobicContact CE3-CB 4.45Å; W1568-L1616 HydrophobicContact CZ3-CB 4.14Å; W1568-S1617 WeakPolarHBondContact CH2-OG 3.44Å; W1568-S1617 WeakPolarHBondContact CZ3-OG 3.4Å | ||
| 1569 | S | 33.1 | Very low | 39.9 | Very low | 74 Ų | 74 | 93.4 Ų | 93.4 | 52% | 0.517 | 54% | 0.535 | S | S | . | . | trans | -106.3 | 118.4 | 173.7 | -178.9 | 0 | 0 | 0 | 0 | 111.2 | P1567 S1571 | P1567-S1569 PolarHBondContact O-N 3.44Å; S1569-S1571 VanDerWaalsContact C-N 3.32Å | ||
| 1570 | L | 32.9 | Very low | 38.2 | Very low | 118 Ų | 118 | 95.6 Ų | 95.6 | 62% | 0.618 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -90.1 | 7.5 | 177.1 | -108.1 | 158.2 | 0 | 0 | 0 | 112.8 | P1718 | L1570-P1718 HydrophobicContact CD1-CB 3.81Å; L1570-P1718 HydrophobicContact CD1-CG 3.88Å |
| 1571 | S | 27.7 | Very low | 37 | Very low | 94 Ų | 94 | 99.1 Ų | 99.1 | 66% | 0.657 | 56% | 0.564 | S | S | * | * | trans | -140.7 | 9.6 | -161.9 | 50.4 | 0 | 0 | 0 | 0 | 115.9 | S1569 E1573 | S1569-S1571 VanDerWaalsContact C-N 3.32Å; S1571-E1573 PolarHBondContact O-N 3.07Å | ||
| 1572 | A | 23.6 | Very low | 35.6 | Very low | 78 Ų | 78 | 104.7 Ų | 104.7 | 65% | 0.645 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 56.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1573 | E | 26.5 | Very low | 34.6 | Very low | 197 Ų | 197 | 107.1 Ų | 107.1 | 92% | 0.921 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.7 | -4.8 | 165.6 | -82.2 | -166.4 | 158 | 0 | 0 | 114.5 | S1571 | S1571-E1573 PolarHBondContact O-N 3.07Š|
| 1574 | T | 24.1 | Very low | 34.3 | Very low | 138 Ų | 138 | 106.5 Ų | 106.5 | 85% | 0.847 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -108.4 | -0.8 | -179.2 | 47.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1575 | A | 21.4 | Very low | 34.3 | Very low | 93 Ų | 93 | 104.6 Ų | 104.6 | 77% | 0.769 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -93.2 | 103.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 1576 | S | 22.6 | Very low | 34.4 | Very low | 103 Ų | 103 | 105.4 Ų | 105.4 | 72% | 0.72 | 61% | 0.607 | S | S | * | * | trans | -68.6 | 139.8 | -177.1 | 57.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1577 | N | 23.4 | Very low | 35.2 | Very low | 156 Ų | 156 | 105.5 Ų | 105.5 | 83% | 0.834 | 61% | 0.605 | S | S | * | * | trans | 50 | 77.1 | 149.4 | -60.7 | -2.2 | 0 | 0 | 0 | 117.7 | ||||
| 1578 | K | 24.2 | Very low | 35.8 | Very low | 207 Ų | 207 | 106 Ų | 106 | 90% | 0.9 | 60% | 0.598 | S | S | * | * | trans | -131.4 | 134 | 135.6 | -74 | -163.5 | 174.4 | -173.7 | 0 | 109.8 | G1580 | K1578-G1580 PolarHBondContact O-N 3.03Š| ||
| 1579 | S | 26.7 | Very low | 36.9 | Very low | 122 Ų | 122 | 109.1 Ų | 109.1 | 85% | 0.853 | 61% | 0.61 | S | S | * | * | trans | -77.9 | 97.8 | -176.8 | 44.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 1580 | G | 28.6 | Very low | 38.5 | Very low | 58 Ų | 58 | 105.9 Ų | 105.9 | 60% | 0.598 | 59% | 0.587 | S | S | * | * | trans | -126.3 | 134.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | K1578 Q1582 | K1578-G1580 PolarHBondContact O-N 3.03Å; G1580-Q1582 PolarHBondContact O-N 3.38Å | ||
| 1581 | R | 34.6 | Very low | 40 | Very low | 143 Ų | 143 | 100.9 Ų | 100.9 | 54% | 0.54 | 56% | 0.562 | S | S | . | * | trans | -76.9 | 107.2 | -174.3 | -177.1 | -177.2 | -177.1 | -163.2 | -1.4 | 109.9 | V1523 | V1523-R1581 PolarHBondContact O-NH2 3.1Š| ||
| 1582 | Q | 35.8 | Very low | 41.7 | Very low | 141 Ų | 141 | 98.9 Ų | 98.9 | 66% | 0.659 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 140.4 | 178.1 | -80.2 | -158.7 | 24.4 | 0 | 0 | 112.3 | G1580 | G1580-Q1582 PolarHBondContact O-N 3.38Š|
| 1583 | P | 43 | Very low | 43.8 | Very low | 63 Ų | 63 | 97.4 Ų | 97.4 | 41% | 0.409 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 143.3 | 176.2 | 26.3 | -34.9 | 0 | 0 | 0 | 111.5 | R1588 | P1583-R1588 PolarHBondContact O-NH2 3.39Š|
| 1584 | S | 51.9 | Low | 45.9 | Very low | 27 Ų | 27 | 88.1 Ų | 88.1 | 19% | 0.189 | 48% | 0.48 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 146.5 | -170.6 | 55.4 | 0 | 0 | 0 | 0 | 114 | E1528 E1586 I1587 R1588 | E1528-S1584 WeakPolarHBondContact OE1-CB 3.28Å; E1528-S1584 PolarHBondContact OE1-OG 3.21Å; S1584-E1586 PolarHBondContact O-N 3.02Å; S1584-I1587 PolarHBondContact O-N 2.81Å; S1584-R1588 PolarHBondContact O-N 2.79Å |
| 1585 | N | 53.7 | Low | 47.9 | Very low | 127 Ų | 127 | 81.8 Ų | 81.8 | 68% | 0.679 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -63.1 | -23.6 | -176.6 | -76 | -35.9 | 0 | 0 | 0 | 113.4 | R1589 | N1585-R1589 WeakPolarHBondContact O-CB 3.35Å; N1585-R1589 PolarHBondContact O-N 3.3Å |
| 1586 | E | 59.7 | Low | 50 | Low | 103 Ų | 103 | 77.9 Ų | 77.9 | 48% | 0.481 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -69.1 | -44.9 | 174.4 | -73.8 | -152.7 | 108.7 | 0 | 0 | 112.5 | I1532 S1584 R1588 R1589 L1590 | I1532-E1586 HydrophobicContact CD1-CB 3.88Å; I1532-E1586 HydrophobicContact CG1-CB 4.38Å; S1584-E1586 PolarHBondContact O-N 3.02Å; E1586-R1588 PolarHBondContact O-N 3.22Å; E1586-R1589 PolarHBondContact O-N 2.78Å; E1586-L1590 WeakPolarHBondContact O-CB 3.13Å; E1586-L1590 PolarHBondContact O-N 3.38Å |
| 1587 | I | 64 | Low | 52.3 | Low | 20 Ų | 20 | 73 Ų | 73 | 10% | 0.103 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.8 | -41.8 | 174.9 | -66.1 | 175.6 | 0 | 0 | 0 | 110 | L1504 E1528 I1532 S1584 L1590 A1591 | L1504-I1587 HydrophobicContact CD2-CG2 4.25Å; E1528-I1587 HydrophobicContact CB-CD1 3.95Å; E1528-I1587 HydrophobicContact CG-CD1 3.72Å; I1532-I1587 HydrophobicContact CD1-CG1 4.01Å; I1532-I1587 HydrophobicContact CG1-CD1 4.47Å; I1532-I1587 HydrophobicContact CG1-CG1 3.6Å; S1584-I1587 PolarHBondContact O-N 2.81Å; I1587-L1590 PolarHBondContact O-N 2.75Å; I1587-A1591 WeakPolarHBondContact O-CB 3.45Å; I1587-A1591 PolarHBondContact O-N 2.87Å |
| 1588 | R | 55.1 | Low | 54.4 | Low | 81 Ų | 81 | 65.6 Ų | 65.6 | 31% | 0.306 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | 177.5 | -151.6 | 179.7 | -54.3 | -158.4 | 4.3 | 112.2 | P1567 P1583 S1584 E1586 L1592 | P1567-R1588 HydrophobicContact CG-CG 3.95Å; P1583-R1588 PolarHBondContact O-NH2 3.39Å; S1584-R1588 PolarHBondContact O-N 2.79Å; E1586-R1588 PolarHBondContact O-N 3.22Å; R1588-L1592 PolarHBondContact O-N 2.97Å |
| 1589 | R | 61.9 | Low | 56.3 | Low | 148 Ų | 148 | 56.1 Ų | 56.1 | 56% | 0.558 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -65.7 | -44.5 | 175 | 179.8 | -176.2 | 174.8 | 121.1 | 12.5 | 112 | N1585 E1586 L1592 E1593 | N1585-R1589 WeakPolarHBondContact O-CB 3.35Å; N1585-R1589 PolarHBondContact O-N 3.3Å; E1586-R1589 PolarHBondContact O-N 2.78Å; R1589-L1592 WeakPolarHBondContact O-CB 3.26Å; R1589-L1592 PolarHBondContact O-N 2.84Å; R1589-L1592 VanDerWaalsContact O-N 3.12Å; R1589-E1593 IonicContact CZ-OE1 3.84Å; R1589-E1593 IonicContact NE-OE1 3.61Å; R1589-E1593 PolarHBondContact NE-OE1 3.06Å; R1589-E1593 IonicContact NE-OE2 3.88Å; R1589-E1593 IonicContact NH2-OE1 2.72Å; R1589-E1593 PolarHBondContact NH2-OE1 3.11Å; R1589-E1593 PolarHBondContact O-N 3.43Å |
| 1590 | L | 67.8 | Low | 58.2 | Low | 7 Ų | 7 | 55.3 Ų | 55.3 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.9 | -36.5 | -177.9 | -86 | 155.5 | 0 | 0 | 0 | 112.6 | I1532 Q1535 K1536 I1539 E1586 I1587 L1592 E1593 L1594 | I1532-L1590 HydrophobicContact CB-CD1 4.13Å; I1532-L1590 HydrophobicContact CG1-CD1 4.18Å; I1532-L1590 HydrophobicContact CG2-CD1 3.69Å; Q1535-L1590 HydrophobicContact CB-CB 4.06Å; Q1535-L1590 HydrophobicContact CB-CD2 4.32Å; K1536-L1590 HydrophobicContact CG-CD1 4.23Å; K1536-L1590 HydrophobicContact CG-CD2 3.56Å; I1539-L1590 HydrophobicContact CD1-CD2 3.73Å; E1586-L1590 WeakPolarHBondContact O-CB 3.13Å; E1586-L1590 PolarHBondContact O-N 3.38Å; I1587-L1590 PolarHBondContact O-N 2.75Å; L1590-L1592 PolarHBondContact O-N 3.42Å; L1590-E1593 PolarHBondContact O-N 3.26Å; L1590-L1594 WeakPolarHBondContact O-CB 3.39Å; L1590-L1594 PolarHBondContact O-N 3.29Å |
| 1591 | A | 64 | Low | 60 | Low | 12 Ų | 12 | 53.5 Ų | 53.5 | 10% | 0.099 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.5 | -37.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1562 I1587 L1595 | I1562-A1591 HydrophobicContact CG2-CB 4.39Å; I1587-A1591 WeakPolarHBondContact O-CB 3.45Å; I1587-A1591 PolarHBondContact O-N 2.87Å; A1591-L1595 WeakPolarHBondContact O-CB 3.19Å; A1591-L1595 PolarHBondContact O-N 3.43Å |
| 1592 | L | 63.7 | Low | 61.4 | Low | 53 Ų | 53 | 47.3 Ų | 47.3 | 28% | 0.277 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -74.6 | -45.5 | 179.5 | -149.9 | 165.4 | 0 | 0 | 0 | 112.1 | R1588 R1589 L1590 L1594 L1595 L1596 S1617 M1696 | R1588-L1592 PolarHBondContact O-N 2.97Å; R1589-L1592 WeakPolarHBondContact O-CB 3.26Å; R1589-L1592 PolarHBondContact O-N 2.84Å; R1589-L1592 VanDerWaalsContact O-N 3.12Å; L1590-L1592 PolarHBondContact O-N 3.42Å; L1592-L1594 VanDerWaalsContact C-N 3.29Å; L1592-L1594 PolarHBondContact O-N 3.26Å; L1592-L1595 PolarHBondContact O-N 2.96Å; L1592-L1596 PolarHBondContact O-N 2.86Å; L1592-S1617 WeakPolarHBondContact CD1-OG 3.39Å; L1592-M1696 HydrophobicContact CD2-CE 3.69Å |
| 1593 | E | 66.9 | Low | 62.6 | Low | 47 Ų | 47 | 49.5 Ų | 49.5 | 22% | 0.22 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.3 | -33.9 | 173.6 | -68.8 | -175.8 | 161.9 | 0 | 0 | 111.7 | I1539 R1589 L1590 L1596 A1597 K1692 | I1539-E1593 HydrophobicContact CD1-CB 3.85Å; R1589-E1593 IonicContact CZ-OE1 3.84Å; R1589-E1593 IonicContact NE-OE1 3.61Å; R1589-E1593 PolarHBondContact NE-OE1 3.06Å; R1589-E1593 IonicContact NE-OE2 3.88Å; R1589-E1593 IonicContact NH2-OE1 2.72Å; R1589-E1593 PolarHBondContact NH2-OE1 3.11Å; R1589-E1593 PolarHBondContact O-N 3.43Å; L1590-E1593 PolarHBondContact O-N 3.26Å; E1593-L1596 WeakPolarHBondContact O-CB 3.41Å; E1593-L1596 PolarHBondContact O-N 3.46Å; E1593-A1597 PolarHBondContact O-N 3.2Å; E1593-K1692 IonicContact OE1-NZ 3.42Å; E1593-K1692 PolarHBondContact OE1-NZ 3.04Å |
| 1594 | L | 70.4 | Confident | 63.4 | Low | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70 | -39.2 | 174.6 | -176.3 | 63.7 | 0 | 0 | 0 | 112.8 | Q1535 V1538 I1539 L1542 L1558 I1562 L1590 L1592 L1596 A1597 A1598 | Q1535-L1594 HydrophobicContact CG-CD2 4.44Å; V1538-L1594 HydrophobicContact CB-CD1 3.7Å; V1538-L1594 HydrophobicContact CG1-CD1 3.66Å; I1539-L1594 HydrophobicContact CD1-CB 4.31Å; I1539-L1594 HydrophobicContact CG1-CB 3.96Å; I1539-L1594 HydrophobicContact CG1-CD1 3.71Å; I1539-L1594 HydrophobicContact CG1-CG 4.46Å; L1542-L1594 HydrophobicContact CD1-CD1 3.8Å; L1558-L1594 HydrophobicContact CD2-CD1 4.22Å; L1558-L1594 HydrophobicContact CD2-CD2 4.42Å; L1558-L1594 HydrophobicContact CD2-CG 4.4Å; I1562-L1594 HydrophobicContact CD1-CD2 3.61Å; I1562-L1594 HydrophobicContact CD1-CG 3.7Å; I1562-L1594 HydrophobicContact CG1-CD2 3.91Å; I1562-L1594 HydrophobicContact CG1-CG 4.49Å; L1590-L1594 WeakPolarHBondContact O-CB 3.39Å; L1590-L1594 PolarHBondContact O-N 3.29Å; L1592-L1594 VanDerWaalsContact C-N 3.29Å; L1592-L1594 PolarHBondContact O-N 3.26Å; L1594-L1596 VanDerWaalsContact C-N 3.28Å; L1594-L1596 PolarHBondContact O-N 3.14Å; L1594-A1597 PolarHBondContact O-N 3.11Å; L1594-A1598 WeakPolarHBondContact O-CB 3.14Å; L1594-A1598 PolarHBondContact O-N 2.79Å |
| 1595 | L | 66.6 | Low | 63.7 | Low | 6 Ų | 6 | 51.8 Ų | 51.8 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.5 | -35.8 | 171.8 | -161.9 | 76.8 | 0 | 0 | 0 | 111.3 | L1559 I1562 W1568 A1591 L1592 A1598 A1599 L1614 | L1559-L1595 HydrophobicContact CD2-CD1 4.08Å; I1562-L1595 HydrophobicContact CG2-CD1 4.07Å; W1568-L1595 HydrophobicContact CH2-CD2 4.36Å; W1568-L1595 HydrophobicContact CZ2-CD2 4.3Å; A1591-L1595 WeakPolarHBondContact O-CB 3.19Å; A1591-L1595 PolarHBondContact O-N 3.43Å; L1592-L1595 PolarHBondContact O-N 2.96Å; L1595-A1598 PolarHBondContact O-N 2.88Å; L1595-A1599 WeakPolarHBondContact O-CB 3.4Å; L1595-A1599 PolarHBondContact O-N 3.44Å; L1595-L1614 HydrophobicContact CD2-CB 4.33Å; L1595-L1614 HydrophobicContact CD2-CD1 3.78Å; L1595-L1614 HydrophobicContact CG-CD1 4.03Å |
| 1596 | L | 65.9 | Low | 64.3 | Low | 11 Ų | 11 | 47.8 Ų | 47.8 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67 | -45.9 | 175 | -131.1 | 166.7 | 0 | 0 | 0 | 111.5 | L1592 E1593 L1594 A1598 A1599 R1600 Q1695 M1696 V1699 | L1592-L1596 PolarHBondContact O-N 2.86Å; E1593-L1596 WeakPolarHBondContact O-CB 3.41Å; E1593-L1596 PolarHBondContact O-N 3.46Å; L1594-L1596 VanDerWaalsContact C-N 3.28Å; L1594-L1596 PolarHBondContact O-N 3.14Å; L1596-A1598 VanDerWaalsContact C-N 3.32Å; L1596-A1598 PolarHBondContact O-N 3.3Å; L1596-A1599 PolarHBondContact O-N 3.25Å; L1596-R1600 WeakPolarHBondContact O-CG 3.2Å; L1596-R1600 PolarHBondContact O-N 2.92Å; L1596-R1600 VanDerWaalsContact O-N 3.16Å; L1596-Q1695 HydrophobicContact CD2-CB 4.46Å; L1596-M1696 HydrophobicContact CD1-CE 3.76Å; L1596-M1696 HydrophobicContact CD1-SD 4.3Å; L1596-M1696 HydrophobicContact CG-CE 4.07Å; L1596-M1696 HydrophobicContact CG-SD 4.33Å; L1596-V1699 HydrophobicContact CD2-CG2 4.15Å |
| 1597 | A | 70.4 | Confident | 64.6 | Low | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.9 | -37.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1539 L1542 E1543 E1593 L1594 R1600 T1601 | I1539-A1597 HydrophobicContact CG2-CB 4.26Å; L1542-A1597 HydrophobicContact CB-CB 4.13Å; L1542-A1597 HydrophobicContact CD1-CB 4.15Å; E1543-A1597 HydrophobicContact CG-CB 4.21Å; E1593-A1597 PolarHBondContact O-N 3.2Å; L1594-A1597 PolarHBondContact O-N 3.11Å; A1597-R1600 PolarHBondContact O-N 3.49Å; A1597-T1601 WeakPolarHBondContact O-CG2 3.46Å; A1597-T1601 PolarHBondContact O-N 2.85Å; A1597-T1601 PolarHBondContact O-OG1 3.24Å |
| 1598 | A | 67.3 | Low | 64.9 | Low | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.2 | -41.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1542 L1555 L1594 L1595 L1596 R1600 T1601 A1602 | L1542-A1598 HydrophobicContact CD1-CB 4.31Å; L1555-A1598 HydrophobicContact CD2-CB 3.58Å; L1594-A1598 WeakPolarHBondContact O-CB 3.14Å; L1594-A1598 PolarHBondContact O-N 2.79Å; L1595-A1598 PolarHBondContact O-N 2.88Å; L1596-A1598 VanDerWaalsContact C-N 3.32Å; L1596-A1598 PolarHBondContact O-N 3.3Å; A1598-R1600 VanDerWaalsContact C-N 3.34Å; A1598-R1600 PolarHBondContact O-N 2.93Å; A1598-T1601 WeakPolarHBondContact CA-OG1 3.24Å; A1598-T1601 PolarHBondContact O-N 3.45Å; A1598-T1601 VanDerWaalsContact O-N 3.16Å; A1598-T1601 PolarHBondContact O-OG1 3.33Å; A1598-T1601 VanDerWaalsContact O-OG1 3.05Å; A1598-A1602 VanDerWaalsContact O-CB 3.3Å; A1598-A1602 WeakPolarHBondContact O-CB 3.4Å; A1598-A1602 PolarHBondContact O-N 3.35Å |
| 1599 | A | 64.8 | Low | 65.5 | Low | 8 Ų | 8 | 47.4 Ų | 47.4 | 7% | 0.066 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.9 | -34.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1595 L1596 T1601 L1607 L1614 V1699 | L1595-A1599 WeakPolarHBondContact O-CB 3.4Å; L1595-A1599 PolarHBondContact O-N 3.44Å; L1596-A1599 PolarHBondContact O-N 3.25Å; A1599-T1601 VanDerWaalsContact C-N 3.31Å; A1599-T1601 PolarHBondContact O-N 3.48Å; A1599-L1607 HydrophobicContact CB-CD1 4.47Å; A1599-L1614 HydrophobicContact CB-CD1 4.38Å; A1599-L1614 HydrophobicContact CB-CD2 4.02Å; A1599-V1699 HydrophobicContact CB-CG1 4.23Å; A1599-V1699 HydrophobicContact CB-CG2 4.23Å |
| 1600 | R | 65.6 | Low | 65.9 | Low | 105 Ų | 105 | 40.4 Ų | 40.4 | 40% | 0.396 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -73.5 | -18 | 175.5 | -57 | -159.4 | -137 | 99.2 | -7.1 | 114.1 | E1543 L1596 A1597 A1598 | E1543-R1600 IonicContact OE1-CZ 3.74Å; E1543-R1600 IonicContact OE1-NH1 3.49Å; E1543-R1600 PolarHBondContact OE1-NH1 3.06Å; E1543-R1600 IonicContact OE1-NH2 3.73Å; E1543-R1600 PolarHBondContact OE1-NH2 3.49Å; L1596-R1600 WeakPolarHBondContact O-CG 3.2Å; L1596-R1600 PolarHBondContact O-N 2.92Å; L1596-R1600 VanDerWaalsContact O-N 3.16Å; A1597-R1600 PolarHBondContact O-N 3.49Å; A1598-R1600 VanDerWaalsContact C-N 3.34Å; A1598-R1600 PolarHBondContact O-N 2.93Å |
| 1601 | T | 68.1 | Low | 66.3 | Low | 20 Ų | 20 | 40.1 Ų | 40.1 | 12% | 0.123 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -111.7 | -32.2 | -169.3 | 48.9 | 0 | 0 | 0 | 0 | 114.3 | L1542 A1597 A1598 A1599 | L1542-T1601 HydrophobicContact CB-CG2 4.2Å; L1542-T1601 WeakPolarHBondContact O-CG2 3.2Å; A1597-T1601 WeakPolarHBondContact O-CG2 3.46Å; A1597-T1601 PolarHBondContact O-N 2.85Å; A1597-T1601 PolarHBondContact O-OG1 3.24Å; A1598-T1601 WeakPolarHBondContact CA-OG1 3.24Å; A1598-T1601 PolarHBondContact O-N 3.45Å; A1598-T1601 VanDerWaalsContact O-N 3.16Å; A1598-T1601 PolarHBondContact O-OG1 3.33Å; A1598-T1601 VanDerWaalsContact O-OG1 3.05Å; A1599-T1601 VanDerWaalsContact C-N 3.31Å; A1599-T1601 PolarHBondContact O-N 3.48Å |
| 1602 | A | 63.7 | Low | 66.9 | Low | 14 Ų | 14 | 40.2 Ų | 40.2 | 12% | 0.116 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -62.4 | 153.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1555 A1598 A1606 L1607 | L1555-A1602 HydrophobicContact CD1-CB 3.81Å; A1598-A1602 VanDerWaalsContact O-CB 3.3Å; A1598-A1602 WeakPolarHBondContact O-CB 3.4Å; A1598-A1602 PolarHBondContact O-N 3.35Å; A1602-A1606 HydrophobicContact CB-CB 4.46Å; A1602-L1607 HydrophobicContact CB-CD1 4.23Å; A1602-L1607 HydrophobicContact CB-CD2 3.7Å; A1602-L1607 HydrophobicContact CB-CG 3.74Å |
| 1603 | R | 60.6 | Low | 67.3 | Low | 186 Ų | 186 | 39.6 Ų | 39.6 | 70% | 0.702 | 21% | 0.205 | S | C | * | . | trans | -68.2 | 141.6 | 157.7 | -68.2 | -175.8 | 179.5 | -176.6 | 0.9 | 108.1 | S1605 A1606 | R1603-S1605 PolarHBondContact O-N 3.29Å; R1603-S1605 VanDerWaalsContact O-N 3.09Å; R1603-A1606 WeakPolarHBondContact O-CB 3.28Å; R1603-A1606 PolarHBondContact O-N 3.19Å | ||
| 1604 | P | 58.7 | Low | 67.7 | Low | 67 Ų | 67 | 37.5 Ų | 37.5 | 44% | 0.435 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -53.7 | -35.2 | -177.5 | -29.3 | 35.7 | 0 | 0 | 0 | 114.5 | A1606 L1607 L1706 | P1604-A1606 VanDerWaalsContact C-N 3.27Å; P1604-A1606 PolarHBondContact O-N 2.83Å; P1604-L1607 PolarHBondContact O-N 3.33Å; P1604-L1706 HydrophobicContact CB-CD1 3.88Å; P1604-L1706 HydrophobicContact CB-CD2 3.68Å; P1604-L1706 HydrophobicContact CB-CG 4.46Å |
| 1605 | S | 59.9 | Low | 68.3 | Low | 72 Ų | 72 | 37.5 Ų | 37.5 | 50% | 0.503 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -63.5 | -25.5 | 175.9 | 50.2 | 0 | 0 | 0 | 0 | 114.6 | R1603 | R1603-S1605 PolarHBondContact O-N 3.29Å; R1603-S1605 VanDerWaalsContact O-N 3.09Å |
| 1606 | A | 64.5 | Low | 69 | Low | 43 Ų | 43 | 38.8 Ų | 38.8 | 36% | 0.355 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -80.6 | -15.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1602 R1603 P1604 | A1602-A1606 HydrophobicContact CB-CB 4.46Å; R1603-A1606 WeakPolarHBondContact O-CB 3.28Å; R1603-A1606 PolarHBondContact O-N 3.19Å; P1604-A1606 VanDerWaalsContact C-N 3.27Å; P1604-A1606 PolarHBondContact O-N 2.83Å |
| 1607 | L | 66.5 | Low | 69.3 | Low | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -85.8 | -14.2 | 179.7 | -65.5 | 174.1 | 0 | 0 | 0 | 113.6 | A1599 A1602 P1604 P1609 A1610 L1611 | A1599-L1607 HydrophobicContact CB-CD1 4.47Å; A1602-L1607 HydrophobicContact CB-CD1 4.23Å; A1602-L1607 HydrophobicContact CB-CD2 3.7Å; A1602-L1607 HydrophobicContact CB-CG 3.74Å; P1604-L1607 PolarHBondContact O-N 3.33Å; L1607-P1609 VanDerWaalsContact C-CD 3.46Å; L1607-A1610 PolarHBondContact O-N 3.41Å; L1607-L1611 HydrophobicContact CB-CD1 4.49Å; L1607-L1611 PolarHBondContact O-N 2.89Å; L1607-L1611 VanDerWaalsContact O-N 3.1Å |
| 1608 | R | 70 | Confident | 69.7 | Low | 95 Ų | 95 | 38.6 Ų | 38.6 | 36% | 0.358 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -47.5 | -46.8 | -176.6 | -65.7 | -176.2 | -166.9 | 158.7 | 0.7 | 114 | A1610 L1611 D1902 | R1608-A1610 VanDerWaalsContact C-N 3.27Å; R1608-A1610 PolarHBondContact O-N 2.76Å; R1608-L1611 WeakPolarHBondContact O-CB 3.45Å; R1608-L1611 PolarHBondContact O-N 3.31Å; R1608-D1902 IonicContact CZ-OD1 3.74Å; R1608-D1902 IonicContact CZ-OD2 2.69Å; R1608-D1902 IonicContact NH1-OD1 3.14Å; R1608-D1902 IonicContact NH2-OD1 3.03Å; R1608-D1902 PolarHBondContact NH2-OD1 2.94Å; R1608-D1902 IonicContact NH2-OD2 3.92Å; R1608-D1902 PolarHBondContact NH2-OD2 3Å |
| 1609 | P | 67.5 | Low | 70.5 | Confident | 95 Ų | 95 | 38.6 Ų | 38.6 | 62% | 0.617 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -64.9 | -29.2 | -178.8 | -21.1 | 34.4 | 0 | 0 | 0 | 114 | L1607 | L1607-P1609 VanDerWaalsContact C-CD 3.46Š|
| 1610 | A | 70.6 | Confident | 71.1 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -90.8 | -11.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1559 I1563 L1607 R1608 Q1613 L1614 | L1559-A1610 HydrophobicContact CD2-CB 4.14Å; I1563-A1610 HydrophobicContact CD1-CB 3.91Å; I1563-A1610 HydrophobicContact CG1-CB 4.31Å; L1607-A1610 PolarHBondContact O-N 3.41Å; R1608-A1610 VanDerWaalsContact C-N 3.27Å; R1608-A1610 PolarHBondContact O-N 2.76Å; A1610-Q1613 WeakPolarHBondContact O-CB 3.32Å; A1610-Q1613 PolarHBondContact O-N 3.08Å; A1610-Q1613 VanDerWaalsContact O-N 3.08Å; A1610-L1614 PolarHBondContact O-N 3.1Å |
| 1611 | L | 76.3 | Confident | 71.5 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.7 | -42.8 | -164.1 | -153.6 | 81.9 | 0 | 0 | 0 | 114.7 | L1607 R1608 Q1613 L1614 V1615 C1703 L1706 L1707 | L1607-L1611 HydrophobicContact CB-CD1 4.49Å; L1607-L1611 PolarHBondContact O-N 2.89Å; L1607-L1611 VanDerWaalsContact O-N 3.1Å; R1608-L1611 WeakPolarHBondContact O-CB 3.45Å; R1608-L1611 PolarHBondContact O-N 3.31Å; L1611-Q1613 VanDerWaalsContact C-N 3.34Å; L1611-Q1613 PolarHBondContact O-N 3.09Å; L1611-L1614 PolarHBondContact O-N 3.37Å; L1611-V1615 WeakPolarHBondContact O-CG2 3.42Å; L1611-V1615 PolarHBondContact O-N 3.02Å; L1611-V1615 VanDerWaalsContact O-N 3.08Å; L1611-C1703 HydrophobicContact CD1-CB 4.19Å; L1611-C1703 HydrophobicContact CG-CB 4.39Å; L1611-L1706 HydrophobicContact CD1-CB 3.99Å; L1611-L1706 HydrophobicContact CD1-CD1 4.33Å; L1611-L1706 HydrophobicContact CD2-CB 3.88Å; L1611-L1706 VanDerWaalsContact CD2-O 3.25Å; L1611-L1706 WeakPolarHBondContact CD2-O 3.45Å; L1611-L1707 HydrophobicContact CD2-CB 4.38Å; L1611-L1707 HydrophobicContact CD2-CD2 3.89Å; L1611-L1707 HydrophobicContact CD2-CG 3.88Å |
| 1612 | P | 77.5 | Confident | 72 | Confident | 13 Ų | 13 | 39.5 Ų | 39.5 | 8% | 0.084 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63 | -40.6 | 177 | -22 | 34.4 | 0 | 0 | 0 | 112.4 | L1616 C1711 R1714 L1715 | P1612-L1616 WeakPolarHBondContact O-CG 3.34Å; P1612-L1616 PolarHBondContact O-N 3.5Å; P1612-C1711 HydrophobicContact CG-CB 3.8Å; P1612-R1714 HydrophobicContact CB-CB 4.41Å; P1612-L1715 HydrophobicContact CB-CD2 4.34Å; P1612-L1715 HydrophobicContact CB-CG 4.22Å; P1612-L1715 WeakPolarHBondContact O-CD2 3.27Å |
| 1613 | Q | 71.3 | Confident | 72.7 | Confident | 41 Ų | 41 | 41.2 Ų | 41.2 | 19% | 0.192 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.6 | -46.8 | 177.8 | -77.9 | -176.8 | -3.9 | 0 | 0 | 111 | W1568 A1610 L1611 V1615 L1616 S1617 | W1568-Q1613 HydrophobicContact CD2-CB 4.04Å; W1568-Q1613 HydrophobicContact CD2-CG 3.69Å; W1568-Q1613 VanDerWaalsContact CE2-CD 3.5Å; W1568-Q1613 HydrophobicContact CE3-CB 4.16Å; W1568-Q1613 HydrophobicContact CE3-CG 4.13Å; W1568-Q1613 HydrophobicContact CG-CG 3.96Å; W1568-Q1613 VanDerWaalsContact CH2-C 3.47Å; W1568-Q1613 HydrophobicContact CH2-CB 3.66Å; W1568-Q1613 HydrophobicContact CH2-CG 4.41Å; W1568-Q1613 WeakPolarHBondContact CH2-O 3.32Å; W1568-Q1613 HydrophobicContact CZ2-CB 3.58Å; W1568-Q1613 HydrophobicContact CZ2-CG 4.07Å; W1568-Q1613 HydrophobicContact CZ3-CB 3.98Å; W1568-Q1613 HydrophobicContact CZ3-CG 4.45Å; W1568-Q1613 WeakPolarHBondContact CZ3-O 3.45Å; W1568-Q1613 VanDerWaalsContact NE1-OE1 3.1Å; A1610-Q1613 WeakPolarHBondContact O-CB 3.32Å; A1610-Q1613 PolarHBondContact O-N 3.08Å; A1610-Q1613 VanDerWaalsContact O-N 3.08Å; L1611-Q1613 VanDerWaalsContact C-N 3.34Å; L1611-Q1613 PolarHBondContact O-N 3.09Å; Q1613-V1615 VanDerWaalsContact C-N 3.26Å; Q1613-V1615 PolarHBondContact O-N 3.29Å; Q1613-L1616 PolarHBondContact O-N 2.76Å; Q1613-S1617 PolarHBondContact O-N 2.73Å |
| 1614 | L | 76 | Confident | 73.1 | Confident | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55 | -41.4 | 177.2 | -174.9 | 58.2 | 0 | 0 | 0 | 112 | L1595 A1599 A1610 L1611 G1618 V1699 | L1595-L1614 HydrophobicContact CD2-CB 4.33Å; L1595-L1614 HydrophobicContact CD2-CD1 3.78Å; L1595-L1614 HydrophobicContact CG-CD1 4.03Å; A1599-L1614 HydrophobicContact CB-CD1 4.38Å; A1599-L1614 HydrophobicContact CB-CD2 4.02Å; A1610-L1614 PolarHBondContact O-N 3.1Å; L1611-L1614 PolarHBondContact O-N 3.37Å; L1614-G1618 PolarHBondContact O-N 2.85Å; L1614-V1699 HydrophobicContact CD1-CG1 3.86Å; L1614-V1699 HydrophobicContact CD2-CG1 3.84Å; L1614-V1699 HydrophobicContact CG-CG1 3.81Å |
| 1615 | V | 82.8 | Confident | 74.1 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.6 | -45.7 | 174 | 170.7 | 0 | 0 | 0 | 0 | 112.1 | L1611 Q1613 G1618 L1619 L1700 C1703 L1715 F1719 F1761 | L1611-V1615 WeakPolarHBondContact O-CG2 3.42Å; L1611-V1615 PolarHBondContact O-N 3.02Å; L1611-V1615 VanDerWaalsContact O-N 3.08Å; Q1613-V1615 VanDerWaalsContact C-N 3.26Å; Q1613-V1615 PolarHBondContact O-N 3.29Å; V1615-G1618 PolarHBondContact O-N 3.02Å; V1615-L1619 HydrophobicContact CG1-CD1 4.32Å; V1615-L1619 WeakPolarHBondContact O-CG 3.44Å; V1615-L1619 PolarHBondContact O-N 3.22Å; V1615-L1700 HydrophobicContact CB-CD2 4.39Å; V1615-L1700 HydrophobicContact CG1-CD2 4.19Å; V1615-L1700 HydrophobicContact CG2-CD2 4.48Å; V1615-C1703 HydrophobicContact CG2-CB 3.56Å; V1615-L1715 HydrophobicContact CB-CD1 4.18Å; V1615-L1715 HydrophobicContact CB-CD2 4.11Å; V1615-L1715 HydrophobicContact CG1-CD1 4.02Å; V1615-L1715 HydrophobicContact CG1-CD2 3.92Å; V1615-L1715 HydrophobicContact CG2-CD1 4.34Å; V1615-F1719 HydrophobicContact CG1-CE1 4.08Å; V1615-F1719 HydrophobicContact CG1-CZ 4.07Å; V1615-F1761 HydrophobicContact CB-CZ 4.45Å; V1615-F1761 HydrophobicContact CG1-CE1 4.1Å; V1615-F1761 HydrophobicContact CG1-CE2 3.98Å; V1615-F1761 HydrophobicContact CG1-CZ 3.72Å; V1615-F1761 HydrophobicContact CG2-CE2 4.06Å; V1615-F1761 HydrophobicContact CG2-CZ 3.76Å |
| 1616 | L | 81.6 | Confident | 75.1 | Confident | 34 Ų | 34 | 31.3 Ų | 31.3 | 18% | 0.178 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66 | -42.7 | -178.8 | -66.5 | 175.7 | 0 | 0 | 0 | 112.9 | W1568 P1612 Q1613 G1618 L1619 Q1620 L1715 P1718 | W1568-L1616 HydrophobicContact CE3-CB 4.45Å; W1568-L1616 HydrophobicContact CZ3-CB 4.14Å; P1612-L1616 WeakPolarHBondContact O-CG 3.34Å; P1612-L1616 PolarHBondContact O-N 3.5Å; Q1613-L1616 PolarHBondContact O-N 2.76Å; L1616-G1618 VanDerWaalsContact C-N 3.28Å; L1616-G1618 PolarHBondContact O-N 3.1Å; L1616-L1619 PolarHBondContact O-N 2.76Å; L1616-Q1620 WeakPolarHBondContact O-CB 3.26Å; L1616-Q1620 PolarHBondContact O-N 2.78Å; L1616-L1715 HydrophobicContact CD1-CD2 4.32Å; L1616-L1715 HydrophobicContact CD2-CD2 3.78Å; L1616-L1715 HydrophobicContact CG-CD2 3.74Å; L1616-P1718 HydrophobicContact CD1-CB 4.23Å; L1616-P1718 HydrophobicContact CD1-CG 4.05Å; L1616-P1718 HydrophobicContact CD2-CB 3.48Å; L1616-P1718 VanDerWaalsContact CD2-CB 3.48Å; L1616-P1718 HydrophobicContact CD2-CG 4.18Å |
| 1617 | S | 72.4 | Confident | 75.8 | Confident | 7 Ų | 7 | 29.3 Ų | 29.3 | 5% | 0.049 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.1 | -35.4 | 172.8 | -96.1 | 0 | 0 | 0 | 0 | 111.6 | W1568 L1592 Q1613 Q1620 A1621 | W1568-S1617 WeakPolarHBondContact CH2-OG 3.44Å; W1568-S1617 WeakPolarHBondContact CZ3-OG 3.4Å; L1592-S1617 WeakPolarHBondContact CD1-OG 3.39Å; Q1613-S1617 PolarHBondContact O-N 2.73Å; S1617-Q1620 PolarHBondContact O-N 3.07Å; S1617-A1621 WeakPolarHBondContact O-CB 3.21Å; S1617-A1621 PolarHBondContact O-N 3.28Å |
| 1618 | G | 79.1 | Confident | 76.3 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.8 | -42.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1614 V1615 L1616 M1696 | L1614-G1618 PolarHBondContact O-N 2.85Å; V1615-G1618 PolarHBondContact O-N 3.02Å; L1616-G1618 VanDerWaalsContact C-N 3.28Å; L1616-G1618 PolarHBondContact O-N 3.1Å; G1618-M1696 VanDerWaalsContact CA-CG 3.41Å; G1618-M1696 VanDerWaalsContact CA-SD 3.52Å |
| 1619 | L | 83.2 | Confident | 76.8 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.7 | -41 | 174.3 | -65.9 | 178.9 | 0 | 0 | 0 | 112 | V1615 L1616 A1621 M1622 L1700 F1719 L1722 I1754 A1757 A1758 F1761 | V1615-L1619 HydrophobicContact CG1-CD1 4.32Å; V1615-L1619 WeakPolarHBondContact O-CG 3.44Å; V1615-L1619 PolarHBondContact O-N 3.22Å; L1616-L1619 PolarHBondContact O-N 2.76Å; L1619-A1621 VanDerWaalsContact C-N 3.33Å; L1619-A1621 PolarHBondContact O-N 3.35Å; L1619-M1622 WeakPolarHBondContact O-CB 3.49Å; L1619-M1622 PolarHBondContact O-N 2.98Å; L1619-L1700 HydrophobicContact CD2-CD1 4.19Å; L1619-L1700 HydrophobicContact CD2-CD2 4.48Å; L1619-L1700 HydrophobicContact CG-CD2 4.44Å; L1619-F1719 HydrophobicContact CD1-CD1 4.11Å; L1619-F1719 HydrophobicContact CD1-CE1 3.63Å; L1619-L1722 HydrophobicContact CD1-CD1 4.17Å; L1619-I1754 HydrophobicContact CB-CG2 4.23Å; L1619-A1757 HydrophobicContact CD2-CB 3.57Å; L1619-A1758 HydrophobicContact CD1-CB 4.11Å; L1619-A1758 HydrophobicContact CD2-CB 4.46Å; L1619-F1761 HydrophobicContact CD2-CB 4.36Å |
| 1620 | Q | 77.1 | Confident | 77.5 | Confident | 121 Ų | 121 | 22.3 Ų | 22.3 | 57% | 0.565 | 13% | 0.129 | S | C | * | . | H | α-helix | trans | -66.7 | -32.8 | 177.8 | -169.4 | 170.8 | 1.6 | 0 | 0 | 112.6 | L1616 S1617 M1622 S1623 | L1616-Q1620 WeakPolarHBondContact O-CB 3.26Å; L1616-Q1620 PolarHBondContact O-N 2.78Å; S1617-Q1620 PolarHBondContact O-N 3.07Å; Q1620-M1622 PolarHBondContact O-N 3.04Å; Q1620-S1623 WeakPolarHBondContact O-CB 3.38Å; Q1620-S1623 PolarHBondContact O-N 2.85Å; Q1620-S1623 VanDerWaalsContact O-N 3.1Å; Q1620-S1623 PolarHBondContact O-OG 3.04Å |
| 1621 | A | 74.8 | Confident | 78 | Confident | 30 Ų | 30 | 22.4 Ų | 22.4 | 25% | 0.248 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.2 | -22 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1617 L1619 S1623 S1624 M1696 | S1617-A1621 WeakPolarHBondContact O-CB 3.21Å; S1617-A1621 PolarHBondContact O-N 3.28Å; L1619-A1621 VanDerWaalsContact C-N 3.33Å; L1619-A1621 PolarHBondContact O-N 3.35Å; A1621-S1623 PolarHBondContact O-N 3.28Å; A1621-S1624 PolarHBondContact O-OG 3.14Å; A1621-M1696 HydrophobicContact CB-CE 4.4Å; A1621-M1696 HydrophobicContact CB-CG 4.12Å |
| 1622 | M | 78.9 | Confident | 78.2 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -75.9 | -4.7 | 174.2 | -58 | -65.9 | 99.9 | 0 | 0 | 113.4 | L1619 Q1620 S1624 I1625 V1630 E1693 M1696 S1753 A1757 | L1619-M1622 WeakPolarHBondContact O-CB 3.49Å; L1619-M1622 PolarHBondContact O-N 2.98Å; Q1620-M1622 PolarHBondContact O-N 3.04Å; M1622-S1624 VanDerWaalsContact C-N 3.28Å; M1622-S1624 PolarHBondContact O-N 3.45Å; M1622-I1625 HydrophobicContact CB-CD1 4.43Å; M1622-I1625 HydrophobicContact CE-CD1 4.05Å; M1622-I1625 WeakPolarHBondContact O-CB 3.43Å; M1622-I1625 PolarHBondContact O-N 3.02Å; M1622-I1625 HydrophobicContact SD-CD1 3.69Å; M1622-V1630 HydrophobicContact CB-CG1 4.3Å; M1622-V1630 HydrophobicContact CB-CG2 4.22Å; M1622-V1630 HydrophobicContact CG-CG1 4.4Å; M1622-E1693 HydrophobicContact CE-CB 3.97Å; M1622-E1693 HydrophobicContact CE-CG 4.24Å; M1622-E1693 WeakPolarHBondContact CE-O 3.37Å; M1622-M1696 HydrophobicContact CE-CB 4.1Å; M1622-M1696 HydrophobicContact CE-CG 4.31Å; M1622-S1753 WeakPolarHBondContact O-CB 3.37Å; M1622-S1753 PolarHBondContact O-OG 3.18Å; M1622-A1757 HydrophobicContact CB-CB 3.81Å; M1622-A1757 HydrophobicContact CG-CB 3.65Å |
| 1623 | S | 78 | Confident | 78.3 | Confident | 51 Ų | 51 | 27.1 Ų | 27.1 | 36% | 0.357 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -62.4 | -29.4 | -175.3 | 61.1 | 0 | 0 | 0 | 0 | 114.6 | Q1620 A1621 I1625 S1753 | Q1620-S1623 WeakPolarHBondContact O-CB 3.38Å; Q1620-S1623 PolarHBondContact O-N 2.85Å; Q1620-S1623 VanDerWaalsContact O-N 3.1Å; Q1620-S1623 PolarHBondContact O-OG 3.04Å; A1621-S1623 PolarHBondContact O-N 3.28Å; S1623-I1625 PolarHBondContact O-N 3.45Å; S1623-S1753 WeakPolarHBondContact CA-OG 3.46Å; S1623-S1753 PolarHBondContact O-OG 2.98Å; S1623-S1753 VanDerWaalsContact O-OG 3.05Å |
| 1624 | S | 69.4 | Low | 78.8 | Confident | 73 Ų | 73 | 25.3 Ų | 25.3 | 51% | 0.51 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -65.4 | -19.4 | 176.6 | 47.5 | 0 | 0 | 0 | 0 | 114.2 | A1621 M1622 E1693 | A1621-S1624 PolarHBondContact O-OG 3.14Å; M1622-S1624 VanDerWaalsContact C-N 3.28Å; M1622-S1624 PolarHBondContact O-N 3.45Å; S1624-E1693 PolarHBondContact OG-OE1 3.31Å |
| 1625 | I | 78.4 | Confident | 79 | Confident | 3 Ų | 3 | 29.6 Ų | 29.6 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -102.7 | 141.2 | -160.5 | -45.3 | -177.6 | 0 | 0 | 0 | 110.5 | M1622 S1623 I1629 V1630 L1633 L1685 E1693 S1753 | M1622-I1625 HydrophobicContact CB-CD1 4.43Å; M1622-I1625 HydrophobicContact CE-CD1 4.05Å; M1622-I1625 WeakPolarHBondContact O-CB 3.43Å; M1622-I1625 PolarHBondContact O-N 3.02Å; M1622-I1625 HydrophobicContact SD-CD1 3.69Å; S1623-I1625 PolarHBondContact O-N 3.45Å; I1625-I1629 HydrophobicContact CG2-CB 3.62Å; I1625-I1629 HydrophobicContact CG2-CG2 3.6Å; I1625-V1630 HydrophobicContact CB-CG2 3.56Å; I1625-V1630 HydrophobicContact CD1-CG2 4.41Å; I1625-V1630 HydrophobicContact CG1-CG2 4.47Å; I1625-V1630 HydrophobicContact CG2-CG2 3.63Å; I1625-L1633 HydrophobicContact CD1-CD1 3.85Å; I1625-L1633 HydrophobicContact CG2-CD1 4.34Å; I1625-L1685 HydrophobicContact CB-CD2 4.05Å; I1625-L1685 HydrophobicContact CG1-CD2 3.74Å; I1625-L1685 HydrophobicContact CG2-CD1 4.12Å; I1625-L1685 HydrophobicContact CG2-CD2 3.94Å; I1625-E1693 HydrophobicContact CD1-CB 3.72Å; I1625-E1693 HydrophobicContact CD1-CG 3.78Å; I1625-E1693 HydrophobicContact CG1-CG 4.38Å; I1625-S1753 WeakPolarHBondContact O-CB 3.4Å; I1625-S1753 PolarHBondContact O-OG 2.92Å |
| 1626 | H | 81.6 | Confident | 78.3 | Confident | 41 Ų | 41 | 34.8 Ų | 34.8 | 19% | 0.19 | 19% | 0.186 | C | C | . | . | trans | -65.5 | 137.5 | 171.5 | -176.8 | -92.5 | 0 | 0 | 0 | 110.7 | S1628 I1629 V1630 S1931 | H1626-S1628 VanDerWaalsContact C-N 3.29Å; H1626-S1628 PolarHBondContact CE1-OG 3.08Å; H1626-S1628 PolarHBondContact ND1-N 3Å; H1626-S1628 PolarHBondContact ND1-OG 2.85Å; H1626-S1628 PolarHBondContact O-N 3.29Å; H1626-I1629 HydrophobicContact CB-CD1 4.49Å; H1626-I1629 PolarHBondContact O-N 2.81Å; H1626-V1630 PolarHBondContact O-N 3.41Å; H1626-S1931 PolarHBondContact NE2-OG 3.49Å | ||
| 1627 | P | 79.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -46.4 | -39.5 | -175.1 | -35.7 | 37.9 | 0 | 0 | 0 | 116.8 | I1629 V1630 A1631 A1752 T1756 A1932 V1935 | P1627-I1629 VanDerWaalsContact C-N 3.3Å; P1627-I1629 PolarHBondContact O-N 2.93Å; P1627-V1630 WeakPolarHBondContact O-CB 3.46Å; P1627-V1630 PolarHBondContact O-N 3.4Å; P1627-A1631 WeakPolarHBondContact O-CB 3.38Å; P1627-A1631 PolarHBondContact O-N 3.45Å; P1627-A1752 HydrophobicContact CG-CB 4.14Å; P1627-T1756 HydrophobicContact CB-CG2 4.33Å; P1627-A1932 HydrophobicContact CG-CB 4.41Å; P1627-V1935 HydrophobicContact CB-CB 4.02Å; P1627-V1935 HydrophobicContact CB-CG1 3.96Å |
| 1628 | S | 76.4 | Confident | 76 | Confident | 23 Ų | 23 | 41.3 Ų | 41.3 | 16% | 0.161 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.1 | -34.6 | 176.6 | 52.5 | 0 | 0 | 0 | 0 | 113.5 | H1626 N1632 | H1626-S1628 VanDerWaalsContact C-N 3.29Å; H1626-S1628 PolarHBondContact CE1-OG 3.08Å; H1626-S1628 PolarHBondContact ND1-N 3Å; H1626-S1628 PolarHBondContact ND1-OG 2.85Å; H1626-S1628 PolarHBondContact O-N 3.29Å; S1628-N1632 VanDerWaalsContact O-CG 3.29Å; S1628-N1632 PolarHBondContact O-N 3.16Å; S1628-N1632 PolarHBondContact O-ND2 3.09Å |
| 1629 | I | 79.5 | Confident | 74 | Confident | 26 Ų | 26 | 50 Ų | 50 | 13% | 0.133 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -76.9 | -39.4 | 179.6 | -61.4 | 170 | 0 | 0 | 0 | 109.2 | I1625 H1626 P1627 A1631 N1632 L1633 L1682 P1683 L1685 | I1625-I1629 HydrophobicContact CG2-CB 3.62Å; I1625-I1629 HydrophobicContact CG2-CG2 3.6Å; H1626-I1629 HydrophobicContact CB-CD1 4.49Å; H1626-I1629 PolarHBondContact O-N 2.81Å; P1627-I1629 VanDerWaalsContact C-N 3.3Å; P1627-I1629 PolarHBondContact O-N 2.93Å; I1629-A1631 VanDerWaalsContact C-N 3.35Å; I1629-A1631 PolarHBondContact O-N 3.27Å; I1629-N1632 PolarHBondContact O-N 3.21Å; I1629-L1633 HydrophobicContact CG2-CD1 3.78Å; I1629-L1633 HydrophobicContact CG2-CG 3.99Å; I1629-L1633 VanDerWaalsContact O-CB 3.3Å; I1629-L1633 WeakPolarHBondContact O-CB 3.29Å; I1629-L1633 VanDerWaalsContact O-CG 3.26Å; I1629-L1633 WeakPolarHBondContact O-CG 3.47Å; I1629-L1633 PolarHBondContact O-N 2.96Å; I1629-L1682 HydrophobicContact CD1-CB 4.42Å; I1629-L1682 HydrophobicContact CD1-CD2 4.09Å; I1629-L1682 HydrophobicContact CD1-CG 4.26Å; I1629-L1682 HydrophobicContact CG1-CD2 3.66Å; I1629-L1682 HydrophobicContact CG1-CG 4.29Å; I1629-P1683 WeakPolarHBondContact CD1-O 3.18Å; I1629-L1685 HydrophobicContact CD1-CD1 3.52Å; I1629-L1685 HydrophobicContact CG2-CD1 4.37Å |
| 1630 | V | 83.2 | Confident | 71.5 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -54.5 | -50.2 | 169.5 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | M1622 I1625 H1626 P1627 N1632 L1633 M1634 T1756 A1757 | M1622-V1630 HydrophobicContact CB-CG1 4.3Å; M1622-V1630 HydrophobicContact CB-CG2 4.22Å; M1622-V1630 HydrophobicContact CG-CG1 4.4Å; I1625-V1630 HydrophobicContact CB-CG2 3.56Å; I1625-V1630 HydrophobicContact CD1-CG2 4.41Å; I1625-V1630 HydrophobicContact CG1-CG2 4.47Å; I1625-V1630 HydrophobicContact CG2-CG2 3.63Å; H1626-V1630 PolarHBondContact O-N 3.41Å; P1627-V1630 WeakPolarHBondContact O-CB 3.46Å; P1627-V1630 PolarHBondContact O-N 3.4Å; V1630-N1632 PolarHBondContact O-N 2.95Å; V1630-L1633 PolarHBondContact O-N 3.09Å; V1630-M1634 HydrophobicContact CG1-CG 4.4Å; V1630-M1634 WeakPolarHBondContact O-CB 3.37Å; V1630-M1634 PolarHBondContact O-N 3.21Å; V1630-T1756 HydrophobicContact CB-CG2 4.34Å; V1630-T1756 HydrophobicContact CG1-CG2 4.28Å; V1630-A1757 HydrophobicContact CG1-CB 3.61Å |
| 1631 | A | 80.4 | Confident | 69.4 | Low | 3 Ų | 3 | 55.9 Ų | 55.9 | 3% | 0.025 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.1 | -26.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | P1627 I1629 R1635 T1756 V1935 E1939 | P1627-A1631 WeakPolarHBondContact O-CB 3.38Å; P1627-A1631 PolarHBondContact O-N 3.45Å; I1629-A1631 VanDerWaalsContact C-N 3.35Å; I1629-A1631 PolarHBondContact O-N 3.27Å; A1631-R1635 WeakPolarHBondContact O-CB 3.37Å; A1631-R1635 WeakPolarHBondContact O-CD 3.45Å; A1631-R1635 VanDerWaalsContact O-CG 3.27Å; A1631-R1635 WeakPolarHBondContact O-CG 3.4Å; A1631-T1756 HydrophobicContact CB-CG2 4.05Å; A1631-V1935 HydrophobicContact CB-CG1 4.46Å; A1631-E1939 HydrophobicContact CB-CG 4.22Å |
| 1632 | N | 80.7 | Confident | 67.2 | Low | 95 Ų | 95 | 63.1 Ų | 63.1 | 51% | 0.508 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -84.1 | -48.1 | 173.6 | -70.1 | -15.6 | 0 | 0 | 0 | 111.8 | S1628 I1629 V1630 M1634 R1635 Q1636 | S1628-N1632 VanDerWaalsContact O-CG 3.29Å; S1628-N1632 PolarHBondContact O-N 3.16Å; S1628-N1632 PolarHBondContact O-ND2 3.09Å; I1629-N1632 PolarHBondContact O-N 3.21Å; V1630-N1632 PolarHBondContact O-N 2.95Å; N1632-M1634 PolarHBondContact O-N 3.38Å; N1632-R1635 PolarHBondContact O-N 2.93Å; N1632-Q1636 PolarHBondContact O-N 3.28Å |
| 1633 | L | 79.7 | Confident | 64.7 | Low | 18 Ų | 18 | 69.3 Ų | 69.3 | 9% | 0.094 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.8 | -30.9 | 178.9 | -76.2 | 179.4 | 0 | 0 | 0 | 113.1 | I1625 I1629 V1630 V1694 A1697 R1701 | I1625-L1633 HydrophobicContact CD1-CD1 3.85Å; I1625-L1633 HydrophobicContact CG2-CD1 4.34Å; I1629-L1633 HydrophobicContact CG2-CD1 3.78Å; I1629-L1633 HydrophobicContact CG2-CG 3.99Å; I1629-L1633 VanDerWaalsContact O-CB 3.3Å; I1629-L1633 WeakPolarHBondContact O-CB 3.29Å; I1629-L1633 VanDerWaalsContact O-CG 3.26Å; I1629-L1633 WeakPolarHBondContact O-CG 3.47Å; I1629-L1633 PolarHBondContact O-N 2.96Å; V1630-L1633 PolarHBondContact O-N 3.09Å; L1633-V1694 HydrophobicContact CD2-CG2 3.47Å; L1633-V1694 VanDerWaalsContact CD2-CG2 3.47Å; L1633-A1697 WeakPolarHBondContact O-CB 3.05Å; L1633-R1701 VanDerWaalsContact O-CZ 3.27Å; L1633-R1701 PolarHBondContact O-NH1 2.98Å; L1633-R1701 PolarHBondContact O-NH2 2.86Å |
| 1634 | M | 82.4 | Confident | 62.3 | Low | 3 Ų | 3 | 77 Ų | 77 | 2% | 0.015 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -11 | 175.1 | -73.4 | -72.5 | -74.1 | 0 | 0 | 114.2 | V1630 N1632 A1697 L1700 R1701 V1760 F1761 H1764 | V1630-M1634 HydrophobicContact CG1-CG 4.4Å; V1630-M1634 WeakPolarHBondContact O-CB 3.37Å; V1630-M1634 PolarHBondContact O-N 3.21Å; N1632-M1634 PolarHBondContact O-N 3.38Å; M1634-A1697 HydrophobicContact CG-CB 4.37Å; M1634-A1697 HydrophobicContact SD-CB 3.68Å; M1634-L1700 HydrophobicContact CE-CB 4.1Å; M1634-L1700 HydrophobicContact CE-CD1 3.89Å; M1634-L1700 HydrophobicContact SD-CB 4.18Å; M1634-L1700 HydrophobicContact SD-CD1 3.71Å; M1634-R1701 VanDerWaalsContact C-NH2 3.26Å; M1634-R1701 PolarHBondContact O-NH2 3.29Å; M1634-V1760 HydrophobicContact CB-CB 4.01Å; M1634-V1760 HydrophobicContact CB-CG1 3.51Å; M1634-F1761 HydrophobicContact CE-CB 3.99Å; M1634-F1761 HydrophobicContact CE-CD2 4.23Å; M1634-H1764 PolarHBondContact O-CE1 3.43Å; M1634-H1764 PolarHBondContact O-NE2 2.82Å |
| 1635 | R | 79.1 | Confident | 60.2 | Low | 94 Ų | 94 | 78 Ų | 78 | 36% | 0.355 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -19.2 | -178.2 | -81.4 | -173.7 | 174.2 | 109.5 | 1.3 | 116 | A1631 N1632 V1760 E1939 | A1631-R1635 WeakPolarHBondContact O-CB 3.37Å; A1631-R1635 WeakPolarHBondContact O-CD 3.45Å; A1631-R1635 VanDerWaalsContact O-CG 3.27Å; A1631-R1635 WeakPolarHBondContact O-CG 3.4Å; N1632-R1635 PolarHBondContact O-N 2.93Å; R1635-V1760 HydrophobicContact CG-CG1 4.04Å; R1635-E1939 IonicContact CZ-OE1 3.39Å; R1635-E1939 IonicContact CZ-OE2 3.83Å; R1635-E1939 VanDerWaalsContact CZ-OE2 3.3Å; R1635-E1939 IonicContact NH1-OE1 2.72Å; R1635-E1939 PolarHBondContact NH1-OE1 3.21Å; R1635-E1939 IonicContact NH1-OE2 3.17Å; R1635-E1939 PolarHBondContact NH1-OE2 2.87Å; R1635-E1939 VanDerWaalsContact NH1-OE2 3.11Å; R1635-E1939 IonicContact NH2-OE1 2.83Å; R1635-E1939 PolarHBondContact NH2-OE1 3.14Å; R1635-E1939 IonicContact NH2-OE2 3.48Å; R1635-E1939 PolarHBondContact NH2-OE2 2.83Å |
| 1636 | Q | 69 | Low | 57.6 | Low | 108 Ų | 108 | 86.7 Ų | 86.7 | 51% | 0.505 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -54.1 | 141.2 | 177 | -72 | 179.5 | -14.3 | 0 | 0 | 112.1 | N1632 R1701 | N1632-Q1636 PolarHBondContact O-N 3.28Å; Q1636-R1701 VanDerWaalsContact O-CZ 3.3Å; Q1636-R1701 PolarHBondContact O-NE 3.43Å; Q1636-R1701 PolarHBondContact O-NH2 2.81Å |
| 1637 | P | 55.7 | Low | 54.7 | Low | 107 Ų | 107 | 89 Ų | 89 | 70% | 0.695 | 45% | 0.453 | S | S | * | . | trans | -73.4 | 147.2 | 177.9 | 30.2 | -34.7 | 0 | 0 | 0 | 111.9 | H1639 | P1637-H1639 PolarHBondContact O-N 3.38Š| ||
| 1638 | I | 49.4 | Very low | 52 | Low | 72 Ų | 72 | 93.6 Ų | 93.6 | 37% | 0.369 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -64.8 | -12.4 | -174 | -59.8 | 166.3 | 0 | 0 | 0 | 113.2 | H1640 R1701 | I1638-H1640 PolarHBondContact O-N 2.94Å; I1638-R1701 HydrophobicContact CD1-CB 4.38Å |
| 1639 | H | 37.9 | Very low | 49.5 | Very low | 183 Ų | 183 | 98.2 Ų | 98.2 | 85% | 0.847 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -70.2 | -2.3 | -161.3 | -112.9 | -72.2 | 0 | 0 | 0 | 117.5 | P1637 | P1637-H1639 PolarHBondContact O-N 3.38Š|
| 1640 | H | 30 | Very low | 46.8 | Very low | 154 Ų | 154 | 104.5 Ų | 104.5 | 71% | 0.713 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -92.7 | -12.9 | -174.8 | -108.8 | -75.4 | 0 | 0 | 0 | 115.9 | I1638 H1642 | I1638-H1640 PolarHBondContact O-N 2.94Å; H1640-H1642 PolarHBondContact O-N 3.25Å |
| 1641 | L | 33.3 | Very low | 43.8 | Very low | 90 Ų | 90 | 109.1 Ų | 109.1 | 47% | 0.471 | 59% | 0.586 | S | S | . | * | G | 310 helix | trans | -75.5 | -24.7 | -166.9 | -123.1 | 91.2 | 0 | 0 | 0 | 115.8 | I1643 Y1644 E1698 | L1641-I1643 PolarHBondContact O-N 3.31Å; L1641-Y1644 PolarHBondContact O-N 2.87Å; L1641-E1698 WeakPolarHBondContact CD1-OE2 3.46Å; L1641-E1698 WeakPolarHBondContact CD2-OE1 3.48Å; L1641-E1698 WeakPolarHBondContact CD2-OE2 3.15Å |
| 1642 | H | 28.5 | Very low | 41 | Very low | 181 Ų | 181 | 116 Ų | 116 | 84% | 0.838 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -68.2 | -8.4 | -168.5 | -113.7 | -70.7 | 0 | 0 | 0 | 115.2 | H1640 | H1640-H1642 PolarHBondContact O-N 3.25Š|
| 1643 | I | 27.7 | Very low | 38.1 | Very low | 131 Ų | 131 | 118.4 Ų | 118.4 | 67% | 0.672 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -81 | -26.1 | 177.2 | -67.4 | 175.6 | 0 | 0 | 0 | 112.3 | L1641 | L1641-I1643 PolarHBondContact O-N 3.31Š|
| 1644 | Y | 25.8 | Very low | 35.2 | Very low | 213 Ų | 213 | 121.9 Ų | 121.9 | 84% | 0.835 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -97.6 | -2.8 | -171.2 | -85.4 | -79.6 | 0 | 0 | 0 | 115.8 | L1641 | L1641-Y1644 PolarHBondContact O-N 2.87Š|
| 1645 | S | 26.4 | Very low | 32.2 | Very low | 93 Ų | 93 | 128.2 Ų | 128.2 | 65% | 0.65 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -93.4 | -13.8 | -170.2 | -173 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1646 | Q | 22.7 | Very low | 29.5 | Very low | 185 Ų | 185 | 129.8 Ų | 129.8 | 86% | 0.864 | 72% | 0.724 | S | S | * | * | trans | -141.2 | 57.9 | -174.5 | -70 | -167 | -10.8 | 0 | 0 | 113.4 | ||||
| 1647 | A | 21.9 | Very low | 27.3 | Very low | 91 Ų | 91 | 128 Ų | 128 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | trans | -113.6 | 59.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1648 | A | 23.4 | Very low | 25.6 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | trans | -142 | 60.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1649 | P | 22.9 | Very low | 24.2 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | trans | -80.6 | 119.3 | 165.8 | 33.1 | -30.4 | 0 | 0 | 0 | 110.4 | ||||
| 1650 | N | 22.4 | Very low | 23.5 | Very low | 159 Ų | 159 | 129.5 Ų | 129.5 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | trans | -73.9 | 129 | 163.1 | -111.1 | -9.2 | 0 | 0 | 0 | 109.2 | ||||
| 1651 | S | 21.2 | Very low | 23 | Very low | 97 Ų | 97 | 126.8 Ų | 126.8 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 51.1 | 119.9 | 159.2 | 60.3 | 0 | 0 | 0 | 0 | 119.8 | ||
| 1652 | L | 20 | Very low | 22.6 | Very low | 146 Ų | 146 | 128 Ų | 128 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | 71.8 | 107.4 | 146.8 | -62 | 162.7 | 0 | 0 | 0 | 118.6 | ||||
| 1653 | N | 19.7 | Very low | 22.2 | Very low | 147 Ų | 147 | 126.1 Ų | 126.1 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | 66.6 | 131.8 | 138.6 | -54.5 | -9.5 | 0 | 0 | 0 | 118.7 | ||||
| 1654 | S | 19.1 | Very low | 21.9 | Very low | 91 Ų | 91 | 126.1 Ų | 126.1 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | cis | -168.3 | 143.7 | -5 | 45.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1655 | T | 20.1 | Very low | 21.6 | Very low | 136 Ų | 136 | 120.7 Ų | 120.7 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | trans | 42.3 | 79.7 | 145.5 | 60.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1656 | S | 23.2 | Very low | 21.3 | Very low | 126 Ų | 126 | 123.2 Ų | 123.2 | 88% | 0.881 | 77% | 0.774 | S | S | * | * | trans | -171.9 | 150.2 | 136.2 | 44.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1657 | G | 21.5 | Very low | 21.2 | Very low | 72 Ų | 72 | 121.3 Ų | 121.3 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | cis | 164.8 | 29.1 | -4.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1658 | L | 20.9 | Very low | 21.1 | Very low | 165 Ų | 165 | 122.9 Ų | 122.9 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | -147.2 | 123.6 | 176.6 | -158.4 | 72.7 | 0 | 0 | 0 | 113.4 | ||||
| 1659 | P | 19.4 | Very low | 21.1 | Very low | 113 Ų | 113 | 122.2 Ų | 122.2 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -94.7 | 154.8 | 170.7 | 36.7 | -32.7 | 0 | 0 | 0 | 111.8 | ||||
| 1660 | S | 22.6 | Very low | 21 | Very low | 115 Ų | 115 | 121 Ų | 121 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -162.4 | 153 | 165.9 | -84.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1661 | A | 20.8 | Very low | 20.9 | Very low | 97 Ų | 97 | 118.2 Ų | 118.2 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | 60.2 | 68.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1662 | S | 23.1 | Very low | 20.9 | Very low | 116 Ų | 116 | 123 Ų | 123 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -83.3 | 138.8 | 138.2 | 57.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1663 | N | 22.1 | Very low | 20.8 | Very low | 140 Ų | 140 | 121.7 Ų | 121.7 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | trans | -159 | 115.5 | 170.8 | -113.8 | -18.4 | 0 | 0 | 0 | 113.5 | ||||
| 1664 | I | 21 | Very low | 20.8 | Very low | 132 Ų | 132 | 122 Ų | 122 | 68% | 0.677 | 79% | 0.785 | S | S | * | * | trans | 45.6 | 105.7 | 135.9 | -51.5 | 168.2 | 0 | 0 | 0 | 117.8 | ||||
| 1665 | S | 19.4 | Very low | 20.8 | Very low | 98 Ų | 98 | 124.9 Ų | 124.9 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | -174 | 136.1 | 107 | -92.8 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1666 | L | 18.8 | Very low | 20.8 | Very low | 147 Ų | 147 | 124 Ų | 124 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | 44.2 | 103.2 | 135.2 | -58.6 | 168.2 | 0 | 0 | 0 | 119.6 | ||||
| 1667 | T | 21.7 | Very low | 20.7 | Very low | 145 Ų | 145 | 123.5 Ų | 123.5 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | -126.8 | 137.4 | 122.6 | 37.5 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 1668 | V | 19.9 | Very low | 20.7 | Very low | 124 Ų | 124 | 128.2 Ų | 128.2 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | -85 | 125.4 | 179 | 170.6 | 0 | 0 | 0 | 0 | 109.1 | A1670 | V1668-A1670 PolarHBondContact O-N 3.34Å; V1668-A1670 VanDerWaalsContact O-N 3.15Å | ||
| 1669 | G | 23 | Very low | 20.7 | Very low | 80 Ų | 80 | 129.2 Ų | 129.2 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -72.6 | 98.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1670 | A | 20.7 | Very low | 20.9 | Very low | 94 Ų | 94 | 129.4 Ų | 129.4 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 142.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V1668 | V1668-A1670 PolarHBondContact O-N 3.34Å; V1668-A1670 VanDerWaalsContact O-N 3.15Å |
| 1671 | S | 20.9 | Very low | 20.8 | Very low | 102 Ų | 102 | 130.3 Ų | 130.3 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 142.3 | -174.1 | 52.3 | 0 | 0 | 0 | 0 | 113.5 | C1673 | S1671-C1673 PolarHBondContact O-N 3.05Š|
| 1672 | Q | 20.9 | Very low | 20.8 | Very low | 198 Ų | 198 | 130 Ų | 130 | 93% | 0.925 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 118.5 | 152.6 | -69.4 | 176.9 | -6.8 | 0 | 0 | 109.1 | ||
| 1673 | C | 17.4 | Very low | 20.9 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | trans | -119.9 | 147.5 | 151.7 | -90.8 | 0 | 0 | 0 | 0 | 107.8 | S1671 N1675 | S1671-C1673 PolarHBondContact O-N 3.05Å; C1673-N1675 PolarHBondContact O-N 2.88Å | ||
| 1674 | N | 19.7 | Very low | 21 | Very low | 155 Ų | 155 | 126.4 Ų | 126.4 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | trans | -63.6 | 123.7 | 179.2 | -60.9 | -48.9 | 0 | 0 | 0 | 110.1 | ||||
| 1675 | N | 19.8 | Very low | 21.3 | Very low | 150 Ų | 150 | 122 Ų | 122 | 80% | 0.802 | 73% | 0.73 | S | S | * | * | -169.6 | 153.5 | 110.7 | -95.4 | -32 | 0 | 0 | 0 | 113.4 | C1673 | C1673-N1675 PolarHBondContact O-N 2.88Š| |||
| 1676 | P | 20.7 | Very low | 21.9 | Very low | 117 Ų | 117 | 119.2 Ų | 119.2 | 76% | 0.76 | 71% | 0.707 | S | S | * | * | trans | -93.6 | 99.1 | -174.2 | 35.3 | -33.2 | 0 | 0 | 0 | 113.3 | ||||
| 1677 | T | 21.3 | Very low | 22.6 | Very low | 117 Ų | 117 | 114.8 Ų | 114.8 | 72% | 0.718 | 69% | 0.687 | S | S | * | * | trans | -158.4 | 128.6 | 153.7 | 16.9 | 0 | 0 | 0 | 0 | 112.4 | Q1679 | T1677-Q1679 PolarHBondContact O-N 3.34Š| ||
| 1678 | Q | 21.5 | Very low | 23.3 | Very low | 170 Ų | 170 | 108.9 Ų | 108.9 | 79% | 0.794 | 65% | 0.653 | S | S | * | * | trans | 45.4 | 55.4 | 145.8 | -60.8 | -177.4 | -13.1 | 0 | 0 | 118.6 | ||||
| 1679 | Q | 20.4 | Very low | 24.2 | Very low | 187 Ų | 187 | 104.9 Ų | 104.9 | 87% | 0.874 | 63% | 0.631 | S | S | * | * | trans | -91.5 | 97.7 | 141.2 | -83.9 | -164.1 | -8.5 | 0 | 0 | 109.8 | T1677 V1681 | T1677-Q1679 PolarHBondContact O-N 3.34Å; Q1679-V1681 PolarHBondContact O-N 2.85Å | ||
| 1680 | T | 22.9 | Very low | 25.1 | Very low | 117 Ų | 117 | 102 Ų | 102 | 72% | 0.718 | 60% | 0.599 | S | S | * | * | trans | -56.3 | 113 | 155.9 | 44.4 | 0 | 0 | 0 | 0 | 108.6 | L1682 | T1680-L1682 PolarHBondContact O-N 3.44Š| ||
| 1681 | V | 20.3 | Very low | 26.5 | Very low | 134 Ų | 134 | 100.5 Ų | 100.5 | 81% | 0.812 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -55 | 133.5 | 172 | 175.8 | 0 | 0 | 0 | 0 | 108.9 | Q1679 | Q1679-V1681 PolarHBondContact O-N 2.85Š|
| 1682 | L | 22.4 | Very low | 28.4 | Very low | 91 Ų | 91 | 99.1 Ų | 99.1 | 48% | 0.476 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -52.2 | 131.6 | 173 | -103.5 | 62.2 | 0 | 0 | 0 | 109.3 | I1629 T1680 S1684 | I1629-L1682 HydrophobicContact CD1-CB 4.42Å; I1629-L1682 HydrophobicContact CD1-CD2 4.09Å; I1629-L1682 HydrophobicContact CD1-CG 4.26Å; I1629-L1682 HydrophobicContact CG1-CD2 3.66Å; I1629-L1682 HydrophobicContact CG1-CG 4.29Å; T1680-L1682 PolarHBondContact O-N 3.44Å; L1682-S1684 PolarHBondContact O-N 3.4Å; L1682-S1684 VanDerWaalsContact O-N 3.15Å |
| 1683 | P | 25.4 | Very low | 30.7 | Very low | 86 Ų | 86 | 90.5 Ų | 90.5 | 56% | 0.558 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 124.4 | 173.5 | -23.1 | 32.9 | 0 | 0 | 0 | 109.7 | I1629 L1685 | I1629-P1683 WeakPolarHBondContact CD1-O 3.18Å; P1683-L1685 PolarHBondContact O-N 3.28Å |
| 1684 | S | 23.8 | Very low | 33.2 | Very low | 93 Ų | 93 | 87.3 Ų | 87.3 | 65% | 0.65 | 50% | 0.5 | S | S | * | . | trans | -66.9 | 97.2 | 170.7 | 53.5 | 0 | 0 | 0 | 0 | 108.1 | L1682 N1686 | L1682-S1684 PolarHBondContact O-N 3.4Å; L1682-S1684 VanDerWaalsContact O-N 3.15Å; S1684-N1686 PolarHBondContact O-N 3.37Å | ||
| 1685 | L | 25.8 | Very low | 35.6 | Very low | 41 Ų | 41 | 82.1 Ų | 82.1 | 22% | 0.215 | 47% | 0.471 | C | S | . | . | trans | -57.9 | 137.4 | 171.8 | -97.7 | 93.7 | 0 | 0 | 0 | 109.3 | I1625 I1629 P1683 E1693 | I1625-L1685 HydrophobicContact CB-CD2 4.05Å; I1625-L1685 HydrophobicContact CG1-CD2 3.74Å; I1625-L1685 HydrophobicContact CG2-CD1 4.12Å; I1625-L1685 HydrophobicContact CG2-CD2 3.94Å; I1629-L1685 HydrophobicContact CD1-CD1 3.52Å; I1629-L1685 HydrophobicContact CG2-CD1 4.37Å; P1683-L1685 PolarHBondContact O-N 3.28Å; L1685-E1693 WeakPolarHBondContact CD2-OE2 3.26Å | ||
| 1686 | N | 32.9 | Very low | 38.2 | Very low | 38 Ų | 38 | 75.1 Ų | 75.1 | 20% | 0.203 | 43% | 0.433 | C | S | . | . | trans | -72.5 | 125.7 | -165.8 | -155.3 | -9.1 | 0 | 0 | 0 | 109.3 | S1397 S1400 S1684 A1688 S1689 A1690 | S1397-N1686 PolarHBondContact O-ND2 2.85Å; S1397-N1686 PolarHBondContact O-OD1 2.68Å; S1397-N1686 WeakPolarHBondContact OG-CA 3.34Å; S1397-N1686 WeakPolarHBondContact OG-CB 3.35Å; S1397-N1686 PolarHBondContact OG-OD1 3.44Å; S1400-N1686 WeakPolarHBondContact CB-ND2 3.41Å; S1684-N1686 PolarHBondContact O-N 3.37Å; N1686-A1688 PolarHBondContact O-N 3.03Å; N1686-S1689 PolarHBondContact O-N 3.37Å; N1686-S1689 PolarHBondContact O-OG 3.39Å; N1686-A1690 PolarHBondContact O-N 2.98Å | ||
| 1687 | P | 33.3 | Very low | 40.9 | Very low | 54 Ų | 54 | 69.5 Ų | 69.5 | 35% | 0.351 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -70.4 | -11.1 | -155.9 | -14.9 | 27.3 | 0 | 0 | 0 | 115.6 | E1401 A1690 C1691 | E1401-P1687 VanDerWaalsContact CD-CB 3.49Å; E1401-P1687 WeakPolarHBondContact OE1-CB 3.46Å; E1401-P1687 VanDerWaalsContact OE2-CB 3.3Å; E1401-P1687 WeakPolarHBondContact OE2-CB 3.18Å; E1401-P1687 WeakPolarHBondContact OE2-CD 3.19Å; E1401-P1687 VanDerWaalsContact OE2-CG 3.25Å; E1401-P1687 WeakPolarHBondContact OE2-CG 3.41Å; P1687-A1690 CarbonylContact O-C 3.51Å; P1687-A1690 PolarHBondContact O-N 2.75Å; P1687-C1691 WeakPolarHBondContact O-CA 3.34Å; P1687-C1691 WeakPolarHBondContact O-CB 3.49Å; P1687-C1691 PolarHBondContact O-N 2.97Å |
| 1688 | A | 37.1 | Very low | 43.4 | Very low | 21 Ų | 21 | 66.3 Ų | 66.3 | 17% | 0.174 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -73.9 | -34.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E1401 N1686 K1692 | E1401-A1688 HydrophobicContact CG-CB 3.98Å; E1401-A1688 PolarHBondContact OE1-N 3.25Å; N1686-A1688 PolarHBondContact O-N 3.03Å; A1688-K1692 PolarHBondContact O-N 3.04Å |
| 1689 | S | 39.1 | Very low | 46 | Very low | 40 Ų | 40 | 58.8 Ų | 58.8 | 28% | 0.28 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -69.4 | -47.7 | 165.2 | 88.8 | 0 | 0 | 0 | 0 | 108.5 | N1686 C1691 K1692 E1693 | N1686-S1689 PolarHBondContact O-N 3.37Å; N1686-S1689 PolarHBondContact O-OG 3.39Å; S1689-C1691 PolarHBondContact O-N 3.28Å; S1689-C1691 VanDerWaalsContact O-N 3.09Å; S1689-K1692 CarbonylContact O-C 3.12Å; S1689-K1692 WeakPolarHBondContact O-CA 3.35Å; S1689-K1692 PolarHBondContact O-N 3.18Å; S1689-E1693 VanDerWaalsContact C-CD 3.49Å; S1689-E1693 WeakPolarHBondContact CB-OE2 3.4Å; S1689-E1693 VanDerWaalsContact O-CB 3.31Å; S1689-E1693 WeakPolarHBondContact O-CB 3.32Å; S1689-E1693 VanDerWaalsContact O-CD 3.27Å; S1689-E1693 WeakPolarHBondContact O-CG 3.13Å; S1689-E1693 PolarHBondContact O-N 3.14Å; S1689-E1693 VanDerWaalsContact O-OE2 3.12Å; S1689-E1693 PolarHBondContact OG-OE1 2.77Å; S1689-E1693 PolarHBondContact OG-OE2 2.82Å |
| 1690 | A | 39.8 | Very low | 48.9 | Very low | 20 Ų | 20 | 50 Ų | 50 | 17% | 0.165 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.4 | -28.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | N1686 P1687 E1693 V1694 | N1686-A1690 PolarHBondContact O-N 2.98Å; P1687-A1690 CarbonylContact O-C 3.51Å; P1687-A1690 PolarHBondContact O-N 2.75Å; A1690-E1693 WeakPolarHBondContact CA-OE2 3.44Å; A1690-E1693 PolarHBondContact N-OE2 3.42Å; A1690-E1693 PolarHBondContact O-N 2.99Å; A1690-V1694 WeakPolarHBondContact O-CA 3.49Å; A1690-V1694 WeakPolarHBondContact O-CB 3.13Å; A1690-V1694 WeakPolarHBondContact O-CG2 3.31Å; A1690-V1694 PolarHBondContact O-N 3.16Å |
| 1691 | C | 51.2 | Low | 51.6 | Low | 63 Ų | 63 | 45.6 Ų | 45.6 | 43% | 0.426 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -71.9 | -46.2 | 175.5 | -157.3 | 0 | 0 | 0 | 0 | 110.3 | P1687 S1689 E1693 Q1695 | P1687-C1691 WeakPolarHBondContact O-CA 3.34Å; P1687-C1691 WeakPolarHBondContact O-CB 3.49Å; P1687-C1691 PolarHBondContact O-N 2.97Å; S1689-C1691 PolarHBondContact O-N 3.28Å; S1689-C1691 VanDerWaalsContact O-N 3.09Å; C1691-E1693 VanDerWaalsContact C-N 3.26Å; C1691-E1693 PolarHBondContact O-N 3.17Å; C1691-Q1695 WeakPolarHBondContact O-CB 3.4Å; C1691-Q1695 VanDerWaalsContact O-CD 3.25Å; C1691-Q1695 WeakPolarHBondContact O-CG 3.33Å; C1691-Q1695 PolarHBondContact O-N 3.4Å; C1691-Q1695 PolarHBondContact SG-NE2 3.45Å |
| 1692 | K | 59.6 | Low | 54.3 | Low | 73 Ų | 73 | 42.6 Ų | 42.6 | 32% | 0.317 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.4 | -33.4 | 171.5 | -70.2 | -179.1 | 177 | 178.6 | 0 | 112.1 | E1593 A1688 S1689 M1696 | E1593-K1692 IonicContact OE1-NZ 3.42Å; E1593-K1692 PolarHBondContact OE1-NZ 3.04Å; A1688-K1692 PolarHBondContact O-N 3.04Å; S1689-K1692 CarbonylContact O-C 3.12Å; S1689-K1692 WeakPolarHBondContact O-CA 3.35Å; S1689-K1692 PolarHBondContact O-N 3.18Å; K1692-M1696 WeakPolarHBondContact O-CB 3.3Å; K1692-M1696 PolarHBondContact O-N 2.69Å |
| 1693 | E | 70.1 | Confident | 57.1 | Low | 16 Ų | 16 | 38.4 Ų | 38.4 | 8% | 0.075 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -83.4 | -36.6 | -176.5 | -68 | 154.4 | 168.6 | 0 | 0 | 112.3 | M1622 S1624 I1625 L1685 S1689 A1690 C1691 M1696 A1697 | M1622-E1693 HydrophobicContact CE-CB 3.97Å; M1622-E1693 HydrophobicContact CE-CG 4.24Å; M1622-E1693 WeakPolarHBondContact CE-O 3.37Å; S1624-E1693 PolarHBondContact OG-OE1 3.31Å; I1625-E1693 HydrophobicContact CD1-CB 3.72Å; I1625-E1693 HydrophobicContact CD1-CG 3.78Å; I1625-E1693 HydrophobicContact CG1-CG 4.38Å; L1685-E1693 WeakPolarHBondContact CD2-OE2 3.26Å; S1689-E1693 VanDerWaalsContact C-CD 3.49Å; S1689-E1693 WeakPolarHBondContact CB-OE2 3.4Å; S1689-E1693 VanDerWaalsContact O-CB 3.31Å; S1689-E1693 WeakPolarHBondContact O-CB 3.32Å; S1689-E1693 VanDerWaalsContact O-CD 3.27Å; S1689-E1693 WeakPolarHBondContact O-CG 3.13Å; S1689-E1693 PolarHBondContact O-N 3.14Å; S1689-E1693 VanDerWaalsContact O-OE2 3.12Å; S1689-E1693 PolarHBondContact OG-OE1 2.77Å; S1689-E1693 PolarHBondContact OG-OE2 2.82Å; A1690-E1693 WeakPolarHBondContact CA-OE2 3.44Å; A1690-E1693 PolarHBondContact N-OE2 3.42Å; A1690-E1693 PolarHBondContact O-N 2.99Å; C1691-E1693 VanDerWaalsContact C-N 3.26Å; C1691-E1693 PolarHBondContact O-N 3.17Å; E1693-M1696 PolarHBondContact O-N 3.05Å; E1693-A1697 VanDerWaalsContact O-CB 3.24Å; E1693-A1697 WeakPolarHBondContact O-CB 3.49Å; E1693-A1697 PolarHBondContact O-N 3.08Å |
| 1694 | V | 70.8 | Confident | 59.8 | Low | 51 Ų | 51 | 34.9 Ų | 34.9 | 31% | 0.309 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.3 | -48.6 | 166.7 | 166.3 | 0 | 0 | 0 | 0 | 109.8 | L1633 A1690 M1696 A1697 E1698 | L1633-V1694 HydrophobicContact CD2-CG2 3.47Å; L1633-V1694 VanDerWaalsContact CD2-CG2 3.47Å; A1690-V1694 WeakPolarHBondContact O-CA 3.49Å; A1690-V1694 WeakPolarHBondContact O-CB 3.13Å; A1690-V1694 WeakPolarHBondContact O-CG2 3.31Å; A1690-V1694 PolarHBondContact O-N 3.16Å; V1694-M1696 VanDerWaalsContact C-N 3.32Å; V1694-M1696 PolarHBondContact O-N 3.31Å; V1694-A1697 CarbonylContact O-C 3.46Å; V1694-A1697 PolarHBondContact O-N 3.35Å; V1694-E1698 PolarHBondContact O-N 3.41Å |
| 1695 | Q | 69.1 | Low | 62.2 | Low | 45 Ų | 45 | 38.1 Ų | 38.1 | 21% | 0.21 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.4 | -41.1 | 176.4 | -72.2 | 166 | 27 | 0 | 0 | 111.2 | L1596 C1691 E1698 V1699 | L1596-Q1695 HydrophobicContact CD2-CB 4.46Å; C1691-Q1695 WeakPolarHBondContact O-CB 3.4Å; C1691-Q1695 VanDerWaalsContact O-CD 3.25Å; C1691-Q1695 WeakPolarHBondContact O-CG 3.33Å; C1691-Q1695 PolarHBondContact O-N 3.4Å; C1691-Q1695 PolarHBondContact SG-NE2 3.45Å; Q1695-E1698 WeakPolarHBondContact O-CB 3.28Å; Q1695-E1698 PolarHBondContact O-N 3.21Å; Q1695-V1699 WeakPolarHBondContact O-CG2 3.29Å; Q1695-V1699 PolarHBondContact O-N 2.9Å |
| 1696 | M | 74.5 | Confident | 64.7 | Low | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.5 | -35.7 | 176.7 | -169.7 | 60.8 | 104.2 | 0 | 0 | 111.8 | L1592 L1596 G1618 A1621 M1622 K1692 E1693 V1694 E1698 V1699 L1700 | L1592-M1696 HydrophobicContact CD2-CE 3.69Å; L1596-M1696 HydrophobicContact CD1-CE 3.76Å; L1596-M1696 HydrophobicContact CD1-SD 4.3Å; L1596-M1696 HydrophobicContact CG-CE 4.07Å; L1596-M1696 HydrophobicContact CG-SD 4.33Å; G1618-M1696 VanDerWaalsContact CA-CG 3.41Å; G1618-M1696 VanDerWaalsContact CA-SD 3.52Å; A1621-M1696 HydrophobicContact CB-CE 4.4Å; A1621-M1696 HydrophobicContact CB-CG 4.12Å; M1622-M1696 HydrophobicContact CE-CB 4.1Å; M1622-M1696 HydrophobicContact CE-CG 4.31Å; K1692-M1696 WeakPolarHBondContact O-CB 3.3Å; K1692-M1696 PolarHBondContact O-N 2.69Å; E1693-M1696 PolarHBondContact O-N 3.05Å; V1694-M1696 VanDerWaalsContact C-N 3.32Å; V1694-M1696 PolarHBondContact O-N 3.31Å; M1696-E1698 VanDerWaalsContact C-N 3.3Å; M1696-E1698 PolarHBondContact O-N 2.9Å; M1696-V1699 PolarHBondContact O-N 2.74Å; M1696-V1699 HydrophobicContact SD-CB 4.29Å; M1696-V1699 HydrophobicContact SD-CG1 4.24Å; M1696-L1700 WeakPolarHBondContact O-CB 3.44Å; M1696-L1700 VanDerWaalsContact O-CG 3.3Å; M1696-L1700 WeakPolarHBondContact O-CG 3.48Å; M1696-L1700 PolarHBondContact O-N 3.35Å |
| 1697 | A | 76.5 | Confident | 67.1 | Low | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.6 | -30.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1633 M1634 E1693 V1694 R1701 | L1633-A1697 WeakPolarHBondContact O-CB 3.05Å; M1634-A1697 HydrophobicContact CG-CB 4.37Å; M1634-A1697 HydrophobicContact SD-CB 3.68Å; E1693-A1697 VanDerWaalsContact O-CB 3.24Å; E1693-A1697 WeakPolarHBondContact O-CB 3.49Å; E1693-A1697 PolarHBondContact O-N 3.08Å; V1694-A1697 CarbonylContact O-C 3.46Å; V1694-A1697 PolarHBondContact O-N 3.35Å; A1697-R1701 WeakPolarHBondContact O-CG 3.38Å; A1697-R1701 PolarHBondContact O-N 2.74Å; A1697-R1701 VanDerWaalsContact O-N 3.11Å; A1697-R1701 PolarHBondContact O-NH1 2.97Å |
| 1698 | E | 74.4 | Confident | 69.4 | Low | 50 Ų | 50 | 36.2 Ų | 36.2 | 23% | 0.234 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.6 | -46.4 | 170.4 | -176.5 | 179.4 | -153 | 0 | 0 | 111.5 | L1641 V1694 Q1695 M1696 L1700 R1701 L1702 | L1641-E1698 WeakPolarHBondContact CD1-OE2 3.46Å; L1641-E1698 WeakPolarHBondContact CD2-OE1 3.48Å; L1641-E1698 WeakPolarHBondContact CD2-OE2 3.15Å; V1694-E1698 PolarHBondContact O-N 3.41Å; Q1695-E1698 WeakPolarHBondContact O-CB 3.28Å; Q1695-E1698 PolarHBondContact O-N 3.21Å; M1696-E1698 VanDerWaalsContact C-N 3.3Å; M1696-E1698 PolarHBondContact O-N 2.9Å; E1698-L1700 VanDerWaalsContact C-N 3.27Å; E1698-L1700 PolarHBondContact O-N 3.17Å; E1698-R1701 CarbonylContact O-C 3.35Å; E1698-R1701 WeakPolarHBondContact O-CB 3.36Å; E1698-R1701 PolarHBondContact O-N 3.43Å; E1698-R1701 VanDerWaalsContact O-N 3.09Å; E1698-L1702 PolarHBondContact O-N 2.85Å |
| 1699 | V | 76.1 | Confident | 71.3 | Confident | 12 Ų | 12 | 38.2 Ų | 38.2 | 7% | 0.073 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.2 | -41.3 | 173.8 | 168.2 | 0 | 0 | 0 | 0 | 110.8 | L1596 A1599 L1614 Q1695 M1696 L1702 C1703 | L1596-V1699 HydrophobicContact CD2-CG2 4.15Å; A1599-V1699 HydrophobicContact CB-CG1 4.23Å; A1599-V1699 HydrophobicContact CB-CG2 4.23Å; L1614-V1699 HydrophobicContact CD1-CG1 3.86Å; L1614-V1699 HydrophobicContact CD2-CG1 3.84Å; L1614-V1699 HydrophobicContact CG-CG1 3.81Å; Q1695-V1699 WeakPolarHBondContact O-CG2 3.29Å; Q1695-V1699 PolarHBondContact O-N 2.9Å; M1696-V1699 PolarHBondContact O-N 2.74Å; M1696-V1699 HydrophobicContact SD-CB 4.29Å; M1696-V1699 HydrophobicContact SD-CG1 4.24Å; V1699-L1702 WeakPolarHBondContact O-CB 3.5Å; V1699-L1702 PolarHBondContact O-N 3.23Å; V1699-C1703 PolarHBondContact O-N 3Å; V1699-C1703 PolarHBondContact O-SG 3.19Å |
| 1700 | L | 82.5 | Confident | 73.3 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.9 | -47.3 | 172.7 | -77 | 172.7 | 0 | 0 | 0 | 112 | V1615 L1619 M1634 M1696 E1698 L1702 C1703 V1704 F1761 | V1615-L1700 HydrophobicContact CB-CD2 4.39Å; V1615-L1700 HydrophobicContact CG1-CD2 4.19Å; V1615-L1700 HydrophobicContact CG2-CD2 4.48Å; L1619-L1700 HydrophobicContact CD2-CD1 4.19Å; L1619-L1700 HydrophobicContact CD2-CD2 4.48Å; L1619-L1700 HydrophobicContact CG-CD2 4.44Å; M1634-L1700 HydrophobicContact CE-CB 4.1Å; M1634-L1700 HydrophobicContact CE-CD1 3.89Å; M1634-L1700 HydrophobicContact SD-CB 4.18Å; M1634-L1700 HydrophobicContact SD-CD1 3.71Å; M1696-L1700 WeakPolarHBondContact O-CB 3.44Å; M1696-L1700 VanDerWaalsContact O-CG 3.3Å; M1696-L1700 WeakPolarHBondContact O-CG 3.48Å; M1696-L1700 PolarHBondContact O-N 3.35Å; E1698-L1700 VanDerWaalsContact C-N 3.27Å; E1698-L1700 PolarHBondContact O-N 3.17Å; L1700-L1702 VanDerWaalsContact C-N 3.27Å; L1700-L1702 PolarHBondContact O-N 2.9Å; L1700-C1703 WeakPolarHBondContact O-CB 3.34Å; L1700-C1703 PolarHBondContact O-N 2.91Å; L1700-V1704 PolarHBondContact O-N 3.44Å; L1700-V1704 VanDerWaalsContact O-N 3.1Å; L1700-F1761 HydrophobicContact CB-CD2 4.08Å; L1700-F1761 HydrophobicContact CB-CE2 4.18Å; L1700-F1761 HydrophobicContact CD2-CD2 3.87Å; L1700-F1761 HydrophobicContact CD2-CE2 3.78Å; L1700-F1761 HydrophobicContact CG-CD2 4.48Å; L1700-F1761 WeakPolarHBondContact O-CE2 3.05Å |
| 1701 | R | 79.8 | Confident | 75.3 | Confident | 25 Ų | 25 | 40.9 Ų | 40.9 | 9% | 0.094 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.7 | -35.3 | 174.3 | -72.2 | 171.4 | -176.4 | 84.6 | -20 | 112.7 | L1633 M1634 Q1636 I1638 A1697 E1698 | L1633-R1701 VanDerWaalsContact O-CZ 3.27Å; L1633-R1701 PolarHBondContact O-NH1 2.98Å; L1633-R1701 PolarHBondContact O-NH2 2.86Å; M1634-R1701 VanDerWaalsContact C-NH2 3.26Å; M1634-R1701 PolarHBondContact O-NH2 3.29Å; Q1636-R1701 VanDerWaalsContact O-CZ 3.3Å; Q1636-R1701 PolarHBondContact O-NE 3.43Å; Q1636-R1701 PolarHBondContact O-NH2 2.81Å; I1638-R1701 HydrophobicContact CD1-CB 4.38Å; A1697-R1701 WeakPolarHBondContact O-CG 3.38Å; A1697-R1701 PolarHBondContact O-N 2.74Å; A1697-R1701 VanDerWaalsContact O-N 3.11Å; A1697-R1701 PolarHBondContact O-NH1 2.97Å; E1698-R1701 CarbonylContact O-C 3.35Å; E1698-R1701 WeakPolarHBondContact O-CB 3.36Å; E1698-R1701 PolarHBondContact O-N 3.43Å; E1698-R1701 VanDerWaalsContact O-N 3.09Å |
| 1702 | L | 76.9 | Confident | 76.9 | Confident | 71 Ų | 71 | 37.9 Ų | 37.9 | 37% | 0.372 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -67.3 | -43.8 | 175.1 | -174.7 | 64.7 | 0 | 0 | 0 | 110.6 | E1698 V1699 L1700 V1704 R1705 L1706 | E1698-L1702 PolarHBondContact O-N 2.85Å; V1699-L1702 WeakPolarHBondContact O-CB 3.5Å; V1699-L1702 PolarHBondContact O-N 3.23Å; L1700-L1702 VanDerWaalsContact C-N 3.27Å; L1700-L1702 PolarHBondContact O-N 2.9Å; L1702-V1704 VanDerWaalsContact C-N 3.29Å; L1702-V1704 PolarHBondContact O-N 3.48Å; L1702-R1705 PolarHBondContact O-N 3.1Å; L1702-L1706 HydrophobicContact CG-CD1 4.13Å |
| 1703 | C | 80.8 | Confident | 78 | Confident | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.02 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.1 | -36.3 | 176.5 | -66.9 | 0 | 0 | 0 | 0 | 112.8 | L1611 V1615 V1699 L1700 R1705 L1706 L1707 | L1611-C1703 HydrophobicContact CD1-CB 4.19Å; L1611-C1703 HydrophobicContact CG-CB 4.39Å; V1615-C1703 HydrophobicContact CG2-CB 3.56Å; V1699-C1703 PolarHBondContact O-N 3Å; V1699-C1703 PolarHBondContact O-SG 3.19Å; L1700-C1703 WeakPolarHBondContact O-CB 3.34Å; L1700-C1703 PolarHBondContact O-N 2.91Å; C1703-R1705 PolarHBondContact O-N 3.23Å; C1703-R1705 VanDerWaalsContact O-N 3.12Å; C1703-L1706 PolarHBondContact O-N 3.44Å; C1703-L1707 WeakPolarHBondContact O-CG 3.5Å; C1703-L1707 PolarHBondContact O-N 3.45Å; C1703-L1707 VanDerWaalsContact O-N 3.14Å |
| 1704 | V | 81.5 | Confident | 78.7 | Confident | 12 Ų | 12 | 44.4 Ų | 44.4 | 7% | 0.073 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.1 | -30.1 | 174.9 | 172.8 | 0 | 0 | 0 | 0 | 112.7 | L1700 L1702 F1761 H1764 L1765 A1768 | L1700-V1704 PolarHBondContact O-N 3.44Å; L1700-V1704 VanDerWaalsContact O-N 3.1Å; L1702-V1704 VanDerWaalsContact C-N 3.29Å; L1702-V1704 PolarHBondContact O-N 3.48Å; V1704-F1761 HydrophobicContact CG2-CD1 4.49Å; V1704-F1761 HydrophobicContact CG2-CD2 3.91Å; V1704-F1761 HydrophobicContact CG2-CE1 4.15Å; V1704-F1761 HydrophobicContact CG2-CE2 3.55Å; V1704-F1761 HydrophobicContact CG2-CG 4.37Å; V1704-F1761 HydrophobicContact CG2-CZ 3.68Å; V1704-H1764 HydrophobicContact CG1-CB 4.28Å; V1704-H1764 HydrophobicContact CG2-CB 4.18Å; V1704-L1765 HydrophobicContact CG1-CB 4.39Å; V1704-L1765 HydrophobicContact CG1-CD1 4.37Å; V1704-A1768 HydrophobicContact CG1-CB 4Å |
| 1705 | R | 75 | Confident | 79.5 | Confident | 162 Ų | 162 | 42 Ų | 42 | 61% | 0.611 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -8.2 | 178.2 | -67.1 | -179 | 174.5 | 163.6 | -2.6 | 114.6 | L1702 C1703 | L1702-R1705 PolarHBondContact O-N 3.1Å; C1703-R1705 PolarHBondContact O-N 3.23Å; C1703-R1705 VanDerWaalsContact O-N 3.12Å |
| 1706 | L | 77.8 | Confident | 80.4 | Confident | 47 Ų | 47 | 40 Ų | 40 | 25% | 0.246 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -3.4 | -175.3 | -59.2 | 176.6 | 0 | 0 | 0 | 112.9 | P1604 L1611 L1702 C1703 D1708 | P1604-L1706 HydrophobicContact CB-CD1 3.88Å; P1604-L1706 HydrophobicContact CB-CD2 3.68Å; P1604-L1706 HydrophobicContact CB-CG 4.46Å; L1611-L1706 HydrophobicContact CD1-CB 3.99Å; L1611-L1706 HydrophobicContact CD1-CD1 4.33Å; L1611-L1706 HydrophobicContact CD2-CB 3.88Å; L1611-L1706 VanDerWaalsContact CD2-O 3.25Å; L1611-L1706 WeakPolarHBondContact CD2-O 3.45Å; L1702-L1706 HydrophobicContact CG-CD1 4.13Å; C1703-L1706 PolarHBondContact O-N 3.44Å; L1706-D1708 PolarHBondContact O-N 3.14Å |
| 1707 | L | 82.1 | Confident | 80.9 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | trans | -69.6 | 120.3 | 177.5 | -84.5 | 166.6 | 0 | 0 | 0 | 111.4 | L1611 C1703 C1711 L1715 F1761 L1765 A1905 | L1611-L1707 HydrophobicContact CD2-CB 4.38Å; L1611-L1707 HydrophobicContact CD2-CD2 3.89Å; L1611-L1707 HydrophobicContact CD2-CG 3.88Å; C1703-L1707 WeakPolarHBondContact O-CG 3.5Å; C1703-L1707 PolarHBondContact O-N 3.45Å; C1703-L1707 VanDerWaalsContact O-N 3.14Å; L1707-C1711 HydrophobicContact CD2-CB 3.63Å; L1707-L1715 HydrophobicContact CD1-CD1 4.39Å; L1707-L1715 HydrophobicContact CD2-CD1 3.67Å; L1707-F1761 HydrophobicContact CD1-CE1 3.94Å; L1707-F1761 HydrophobicContact CD1-CZ 3.85Å; L1707-L1765 HydrophobicContact CD1-CD1 4.12Å; L1707-L1765 HydrophobicContact CD1-CD2 4.41Å; L1707-A1905 HydrophobicContact CB-CB 4.11Å; L1707-A1905 WeakPolarHBondContact O-CB 3.44Å; L1707-A1905 PolarHBondContact O-N 2.87Å | ||
| 1708 | D | 81.6 | Confident | 81.4 | Confident | 42 Ų | 42 | 45 Ų | 45 | 23% | 0.225 | 22% | 0.221 | C | C | . | . | trans | -93.1 | 168.2 | 161.5 | 62 | 29.6 | 0 | 0 | 0 | 111.2 | L1706 I1710 C1711 L1712 A1905 | L1706-D1708 PolarHBondContact O-N 3.14Å; D1708-I1710 PolarHBondContact O-N 3.49Å; D1708-I1710 PolarHBondContact OD1-N 2.91Å; D1708-C1711 PolarHBondContact O-N 3.42Å; D1708-C1711 VanDerWaalsContact OD1-CB 3.25Å; D1708-C1711 WeakPolarHBondContact OD1-CB 3.17Å; D1708-C1711 PolarHBondContact OD1-N 3.24Å; D1708-C1711 PolarHBondContact OD1-SG 2.81Å; D1708-L1712 PolarHBondContact O-N 3.03Å; D1708-A1905 VanDerWaalsContact C-CB 3.46Å; D1708-A1905 WeakPolarHBondContact O-CB 3.47Å | ||
| 1709 | D | 78.5 | Confident | 82.1 | Confident | 63 Ų | 63 | 42.6 Ų | 42.6 | 34% | 0.337 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -57.8 | -33.4 | -179.8 | -71.1 | -51.2 | 0 | 0 | 0 | 112.9 | L1712 S1713 A1905 S1906 | D1709-L1712 PolarHBondContact O-N 3.25Å; D1709-S1713 VanDerWaalsContact O-CB 3.29Å; D1709-S1713 WeakPolarHBondContact O-CB 3.34Å; D1709-S1713 PolarHBondContact O-N 2.94Å; D1709-S1713 PolarHBondContact O-OG 3.29Å; D1709-A1905 WeakPolarHBondContact OD1-CA 3.06Å; D1709-S1906 PolarHBondContact OD1-N 3.37Å |
| 1710 | I | 80.5 | Confident | 82.6 | Confident | 107 Ų | 107 | 42.8 Ų | 42.8 | 55% | 0.549 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -67.7 | -46.6 | -179 | -58.3 | 175.4 | 0 | 0 | 0 | 109.5 | D1708 S1713 R1714 | D1708-I1710 PolarHBondContact O-N 3.49Å; D1708-I1710 PolarHBondContact OD1-N 2.91Å; I1710-S1713 PolarHBondContact O-OG 3.32Å; I1710-R1714 WeakPolarHBondContact O-CG 3.49Å; I1710-R1714 PolarHBondContact O-N 2.61Å |
| 1711 | C | 82.4 | Confident | 82.7 | Confident | 9 Ų | 9 | 46.8 Ų | 46.8 | 6% | 0.061 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68 | -39.7 | 177 | -67 | 0 | 0 | 0 | 0 | 111.9 | P1612 L1707 D1708 R1714 L1715 | P1612-C1711 HydrophobicContact CG-CB 3.8Å; L1707-C1711 HydrophobicContact CD2-CB 3.63Å; D1708-C1711 PolarHBondContact O-N 3.42Å; D1708-C1711 VanDerWaalsContact OD1-CB 3.25Å; D1708-C1711 WeakPolarHBondContact OD1-CB 3.17Å; D1708-C1711 PolarHBondContact OD1-N 3.24Å; D1708-C1711 PolarHBondContact OD1-SG 2.81Å; C1711-R1714 PolarHBondContact O-N 2.77Å; C1711-L1715 PolarHBondContact O-N 3.44Å |
| 1712 | L | 84.9 | Confident | 83 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.5 | -45.6 | 176.2 | -179.8 | 58.5 | 0 | 0 | 0 | 111.7 | D1708 D1709 R1714 L1715 I1716 F1719 L1765 A1905 L1907 | D1708-L1712 PolarHBondContact O-N 3.03Å; D1709-L1712 PolarHBondContact O-N 3.25Å; L1712-R1714 PolarHBondContact O-N 3.43Å; L1712-L1715 WeakPolarHBondContact O-CB 3.49Å; L1712-L1715 PolarHBondContact O-N 2.95Å; L1712-I1716 HydrophobicContact CD1-CD1 3.75Å; L1712-I1716 HydrophobicContact CG-CD1 4.03Å; L1712-I1716 WeakPolarHBondContact O-CG1 3.24Å; L1712-I1716 PolarHBondContact O-N 3.14Å; L1712-F1719 HydrophobicContact CD1-CE2 4.49Å; L1712-L1765 HydrophobicContact CD1-CD2 3.6Å; L1712-L1765 HydrophobicContact CD2-CD2 4.27Å; L1712-A1905 HydrophobicContact CB-CB 3.71Å; L1712-A1905 HydrophobicContact CD2-CB 3.66Å; L1712-A1905 HydrophobicContact CG-CB 4.3Å; L1712-L1907 HydrophobicContact CD2-CD1 4.16Å |
| 1713 | S | 82.6 | Confident | 83.4 | Confident | 59 Ų | 59 | 43.8 Ų | 43.8 | 41% | 0.413 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -57.1 | -35 | -179.8 | 72 | 0 | 0 | 0 | 0 | 112.9 | D1709 I1710 | D1709-S1713 VanDerWaalsContact O-CB 3.29Å; D1709-S1713 WeakPolarHBondContact O-CB 3.34Å; D1709-S1713 PolarHBondContact O-N 2.94Å; D1709-S1713 PolarHBondContact O-OG 3.29Å; I1710-S1713 PolarHBondContact O-OG 3.32Å |
| 1714 | R | 84.6 | Confident | 83.4 | Confident | 167 Ų | 167 | 47.4 Ų | 47.4 | 63% | 0.63 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -70.8 | -27.5 | 175 | -67.7 | 173.9 | 179.6 | -162 | -1.1 | 113.5 | P1612 I1710 C1711 L1712 P1718 | P1612-R1714 HydrophobicContact CB-CB 4.41Å; I1710-R1714 WeakPolarHBondContact O-CG 3.49Å; I1710-R1714 PolarHBondContact O-N 2.61Å; C1711-R1714 PolarHBondContact O-N 2.77Å; L1712-R1714 PolarHBondContact O-N 3.43Å; R1714-P1718 WeakPolarHBondContact O-CD 3.39Å |
| 1715 | L | 87.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -83.3 | -21.3 | -179.6 | -76.1 | 169.3 | 0 | 0 | 0 | 114.1 | P1612 V1615 L1616 L1707 C1711 L1712 V1717 P1718 F1719 | P1612-L1715 HydrophobicContact CB-CD2 4.34Å; P1612-L1715 HydrophobicContact CB-CG 4.22Å; P1612-L1715 WeakPolarHBondContact O-CD2 3.27Å; V1615-L1715 HydrophobicContact CB-CD1 4.18Å; V1615-L1715 HydrophobicContact CB-CD2 4.11Å; V1615-L1715 HydrophobicContact CG1-CD1 4.02Å; V1615-L1715 HydrophobicContact CG1-CD2 3.92Å; V1615-L1715 HydrophobicContact CG2-CD1 4.34Å; L1616-L1715 HydrophobicContact CD1-CD2 4.32Å; L1616-L1715 HydrophobicContact CD2-CD2 3.78Å; L1616-L1715 HydrophobicContact CG-CD2 3.74Å; L1707-L1715 HydrophobicContact CD1-CD1 4.39Å; L1707-L1715 HydrophobicContact CD2-CD1 3.67Å; C1711-L1715 PolarHBondContact O-N 3.44Å; L1712-L1715 WeakPolarHBondContact O-CB 3.49Å; L1712-L1715 PolarHBondContact O-N 2.95Å; L1715-V1717 PolarHBondContact O-N 3.47Å; L1715-P1718 WeakPolarHBondContact O-CD 3.49Å; L1715-F1719 HydrophobicContact CB-CD2 4.24Å; L1715-F1719 HydrophobicContact CB-CE1 4.21Å; L1715-F1719 HydrophobicContact CB-CE2 3.82Å; L1715-F1719 HydrophobicContact CB-CZ 3.81Å; L1715-F1719 HydrophobicContact CD1-CE2 4.46Å; L1715-F1719 HydrophobicContact CD1-CZ 3.96Å; L1715-F1719 HydrophobicContact CD2-CE1 4.08Å; L1715-F1719 HydrophobicContact CD2-CZ 4.18Å; L1715-F1719 HydrophobicContact CG-CZ 4.22Å; L1715-F1719 WeakPolarHBondContact O-CB 3.5Å; L1715-F1719 VanDerWaalsContact O-CG 3.26Å; L1715-F1719 WeakPolarHBondContact O-CG 3.46Å; L1715-F1719 PolarHBondContact O-N 2.82Å |
| 1716 | I | 88.1 | Confident | 83 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.3 | -45.5 | -172.8 | -57.7 | -50.4 | 0 | 0 | 0 | 113.1 | L1712 F1719 T1720 H1910 K1913 | L1712-I1716 HydrophobicContact CD1-CD1 3.75Å; L1712-I1716 HydrophobicContact CG-CD1 4.03Å; L1712-I1716 WeakPolarHBondContact O-CG1 3.24Å; L1712-I1716 PolarHBondContact O-N 3.14Å; I1716-F1719 PolarHBondContact O-N 3.44Å; I1716-T1720 PolarHBondContact O-N 3.27Å; I1716-T1720 PolarHBondContact O-OG1 3.07Å; I1716-H1910 HydrophobicContact CD1-CB 3.65Å; I1716-H1910 HydrophobicContact CG1-CB 3.86Å; I1716-H1910 VanDerWaalsContact CG1-CD2 3.45Å; I1716-H1910 WeakPolarHBondContact CG1-CD2 3.39Å; I1716-H1910 HydrophobicContact CG2-CB 4.46Å; I1716-K1913 HydrophobicContact CG2-CB 4.24Å; I1716-K1913 HydrophobicContact CG2-CD 4.17Å |
| 1717 | V | 84.8 | Confident | 82.3 | Confident | 91 Ų | 91 | 39.4 Ų | 39.4 | 55% | 0.552 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -65.1 | -50.4 | -178.9 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | L1715 F1719 T1720 E1721 | L1715-V1717 PolarHBondContact O-N 3.47Å; V1717-F1719 VanDerWaalsContact C-N 3.34Å; V1717-F1719 PolarHBondContact O-N 3.2Å; V1717-T1720 WeakPolarHBondContact CA-OG1 3.42Å; V1717-T1720 PolarHBondContact O-N 2.88Å; V1717-T1720 VanDerWaalsContact O-N 3.16Å; V1717-T1720 PolarHBondContact O-OG1 2.87Å; V1717-E1721 PolarHBondContact O-N 3.39Å; V1717-E1721 VanDerWaalsContact O-N 3.1Å |
| 1718 | P | 86.5 | Confident | 81.1 | Confident | 15 Ų | 15 | 40.9 Ų | 40.9 | 10% | 0.097 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -50.9 | -46.6 | 168.4 | -30 | 34.8 | 0 | 0 | 0 | 114.3 | L1570 L1616 R1714 L1715 T1720 E1721 L1722 | L1570-P1718 HydrophobicContact CD1-CB 3.81Å; L1570-P1718 HydrophobicContact CD1-CG 3.88Å; L1616-P1718 HydrophobicContact CD1-CB 4.23Å; L1616-P1718 HydrophobicContact CD1-CG 4.05Å; L1616-P1718 HydrophobicContact CD2-CB 3.48Å; L1616-P1718 VanDerWaalsContact CD2-CB 3.48Å; L1616-P1718 HydrophobicContact CD2-CG 4.18Å; R1714-P1718 WeakPolarHBondContact O-CD 3.39Å; L1715-P1718 WeakPolarHBondContact O-CD 3.49Å; P1718-T1720 VanDerWaalsContact C-N 3.35Å; P1718-T1720 PolarHBondContact O-N 3.43Å; P1718-E1721 PolarHBondContact O-N 2.83Å; P1718-L1722 WeakPolarHBondContact O-CB 3.43Å; P1718-L1722 VanDerWaalsContact O-CG 3.31Å; P1718-L1722 WeakPolarHBondContact O-CG 3.45Å; P1718-L1722 PolarHBondContact O-N 2.84Å |
| 1719 | F | 89.1 | Confident | 79 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.5 | -42.2 | 177.7 | -69.2 | -13.9 | 0 | 0 | 0 | 112 | V1615 L1619 L1712 L1715 I1716 V1717 E1721 L1722 L1723 F1761 I1762 L1914 | V1615-F1719 HydrophobicContact CG1-CE1 4.08Å; V1615-F1719 HydrophobicContact CG1-CZ 4.07Å; L1619-F1719 HydrophobicContact CD1-CD1 4.11Å; L1619-F1719 HydrophobicContact CD1-CE1 3.63Å; L1712-F1719 HydrophobicContact CD1-CE2 4.49Å; L1715-F1719 HydrophobicContact CB-CD2 4.24Å; L1715-F1719 HydrophobicContact CB-CE1 4.21Å; L1715-F1719 HydrophobicContact CB-CE2 3.82Å; L1715-F1719 HydrophobicContact CB-CZ 3.81Å; L1715-F1719 HydrophobicContact CD1-CE2 4.46Å; L1715-F1719 HydrophobicContact CD1-CZ 3.96Å; L1715-F1719 HydrophobicContact CD2-CE1 4.08Å; L1715-F1719 HydrophobicContact CD2-CZ 4.18Å; L1715-F1719 HydrophobicContact CG-CZ 4.22Å; L1715-F1719 WeakPolarHBondContact O-CB 3.5Å; L1715-F1719 VanDerWaalsContact O-CG 3.26Å; L1715-F1719 WeakPolarHBondContact O-CG 3.46Å; L1715-F1719 PolarHBondContact O-N 2.82Å; I1716-F1719 PolarHBondContact O-N 3.44Å; V1717-F1719 VanDerWaalsContact C-N 3.34Å; V1717-F1719 PolarHBondContact O-N 3.2Å; F1719-E1721 PolarHBondContact O-N 2.72Å; F1719-L1722 PolarHBondContact O-N 3.28Å; F1719-L1723 WeakPolarHBondContact O-CB 3.49Å; F1719-L1723 WeakPolarHBondContact O-CD1 3.26Å; F1719-L1723 WeakPolarHBondContact O-CG 3.18Å; F1719-L1723 PolarHBondContact O-N 2.92Å; F1719-F1761 HydrophobicContact CE2-CD1 4.37Å; F1719-F1761 HydrophobicContact CE2-CE1 4.35Å; F1719-F1761 AromaticContact CZ-CD1 3.82Å; F1719-F1761 HydrophobicContact CZ-CD1 3.82Å; F1719-F1761 AromaticContact CZ-CE1 3.77Å; F1719-F1761 HydrophobicContact CZ-CE1 3.77Å; F1719-I1762 HydrophobicContact CB-CD1 4.41Å; F1719-I1762 HydrophobicContact CD2-CD1 4.18Å; F1719-I1762 HydrophobicContact CD2-CG1 4.23Å; F1719-I1762 HydrophobicContact CE2-CG1 4.35Å; F1719-I1762 HydrophobicContact CG-CD1 4.36Å; F1719-L1914 HydrophobicContact CB-CD2 3.89Å |
| 1720 | T | 86.4 | Confident | 76.7 | Confident | 16 Ų | 16 | 45.9 Ų | 45.9 | 10% | 0.098 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.7 | -36.7 | 177.6 | 48.6 | 0 | 0 | 0 | 0 | 113.2 | I1716 V1717 P1718 K1724 K1913 L1914 A1917 | I1716-T1720 PolarHBondContact O-N 3.27Å; I1716-T1720 PolarHBondContact O-OG1 3.07Å; V1717-T1720 WeakPolarHBondContact CA-OG1 3.42Å; V1717-T1720 PolarHBondContact O-N 2.88Å; V1717-T1720 VanDerWaalsContact O-N 3.16Å; V1717-T1720 PolarHBondContact O-OG1 2.87Å; P1718-T1720 VanDerWaalsContact C-N 3.35Å; P1718-T1720 PolarHBondContact O-N 3.43Å; T1720-K1724 WeakPolarHBondContact O-CD 3.43Å; T1720-K1724 VanDerWaalsContact O-CG 3.28Å; T1720-K1724 WeakPolarHBondContact O-CG 3.47Å; T1720-K1724 PolarHBondContact O-N 2.93Å; T1720-K1724 VanDerWaalsContact O-N 3.16Å; T1720-K1913 HydrophobicContact CG2-CB 4.22Å; T1720-K1913 WeakPolarHBondContact CG2-O 3.19Å; T1720-L1914 HydrophobicContact CG2-CD2 4.1Å; T1720-A1917 HydrophobicContact CG2-CB 3.96Å |
| 1721 | E | 85.7 | Confident | 74 | Confident | 85 Ų | 85 | 45.7 Ų | 45.7 | 40% | 0.397 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -75.2 | -38.9 | 177.1 | -61.9 | -43.8 | 122.5 | 0 | 0 | 112.8 | V1717 P1718 F1719 L1723 K1724 A1725 | V1717-E1721 PolarHBondContact O-N 3.39Å; V1717-E1721 VanDerWaalsContact O-N 3.1Å; P1718-E1721 PolarHBondContact O-N 2.83Å; F1719-E1721 PolarHBondContact O-N 2.72Å; E1721-L1723 VanDerWaalsContact C-N 3.32Å; E1721-L1723 PolarHBondContact O-N 2.89Å; E1721-K1724 PolarHBondContact O-N 3.43Å; E1721-K1724 IonicContact OE1-NZ 3.78Å; E1721-K1724 PolarHBondContact OE1-NZ 3.44Å; E1721-K1724 WeakPolarHBondContact OE2-CD 3.38Å; E1721-K1724 IonicContact OE2-NZ 3.82Å; E1721-K1724 PolarHBondContact OE2-NZ 3.23Å; E1721-A1725 WeakPolarHBondContact O-CB 3.46Å; E1721-A1725 PolarHBondContact O-N 3.42Å |
| 1722 | L | 84.9 | Confident | 71.2 | Confident | 32 Ų | 32 | 49.2 Ų | 49.2 | 17% | 0.168 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62 | -39.8 | 174.4 | -68.9 | 177.3 | 0 | 0 | 0 | 111.9 | L1619 P1718 F1719 A1725 G1726 I1754 A1755 | L1619-L1722 HydrophobicContact CD1-CD1 4.17Å; P1718-L1722 WeakPolarHBondContact O-CB 3.43Å; P1718-L1722 VanDerWaalsContact O-CG 3.31Å; P1718-L1722 WeakPolarHBondContact O-CG 3.45Å; P1718-L1722 PolarHBondContact O-N 2.84Å; F1719-L1722 PolarHBondContact O-N 3.28Å; L1722-A1725 PolarHBondContact O-N 3.16Å; L1722-G1726 PolarHBondContact O-N 2.95Å; L1722-G1726 VanDerWaalsContact O-N 3.09Å; L1722-I1754 HydrophobicContact CD1-CG2 3.91Å; L1722-I1754 HydrophobicContact CD2-CG2 3.7Å; L1722-I1754 HydrophobicContact CG-CG2 4.27Å; L1722-A1755 WeakPolarHBondContact O-CB 3.49Å |
| 1723 | L | 85.6 | Confident | 68 | Low | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 176.1 | -69.5 | 170.1 | 0 | 0 | 0 | 112 | F1719 E1721 G1726 G1727 C1759 I1762 L1914 A1917 L1918 A1921 M1940 | F1719-L1723 WeakPolarHBondContact O-CB 3.49Å; F1719-L1723 WeakPolarHBondContact O-CD1 3.26Å; F1719-L1723 WeakPolarHBondContact O-CG 3.18Å; F1719-L1723 PolarHBondContact O-N 2.92Å; E1721-L1723 VanDerWaalsContact C-N 3.32Å; E1721-L1723 PolarHBondContact O-N 2.89Å; L1723-G1726 PolarHBondContact O-N 3.32Å; L1723-G1727 PolarHBondContact O-N 3.44Å; L1723-C1759 VanDerWaalsContact CD2-SG 3.57Å; L1723-I1762 HydrophobicContact CD1-CD1 4.11Å; L1723-L1914 HydrophobicContact CD1-CD2 4.32Å; L1723-A1917 HydrophobicContact CB-CB 4.22Å; L1723-L1918 HydrophobicContact CD1-CD2 4.22Å; L1723-L1918 HydrophobicContact CD1-CG 4.2Å; L1723-L1918 HydrophobicContact CD2-CD2 3.88Å; L1723-A1921 VanDerWaalsContact O-CB 3.3Å; L1723-A1921 WeakPolarHBondContact O-CB 3.32Å; L1723-M1940 VanDerWaalsContact O-CE 3.3Å; L1723-M1940 WeakPolarHBondContact O-CE 3.26Å |
| 1724 | K | 81.7 | Confident | 65.2 | Low | 79 Ų | 79 | 61.3 Ų | 61.3 | 34% | 0.343 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 172.5 | -71.6 | 165.4 | -179.7 | 176.2 | 0 | 112.4 | T1720 E1721 G1726 G1727 G1728 | T1720-K1724 WeakPolarHBondContact O-CD 3.43Å; T1720-K1724 VanDerWaalsContact O-CG 3.28Å; T1720-K1724 WeakPolarHBondContact O-CG 3.47Å; T1720-K1724 PolarHBondContact O-N 2.93Å; T1720-K1724 VanDerWaalsContact O-N 3.16Å; E1721-K1724 PolarHBondContact O-N 3.43Å; E1721-K1724 IonicContact OE1-NZ 3.78Å; E1721-K1724 PolarHBondContact OE1-NZ 3.44Å; E1721-K1724 WeakPolarHBondContact OE2-CD 3.38Å; E1721-K1724 IonicContact OE2-NZ 3.82Å; E1721-K1724 PolarHBondContact OE2-NZ 3.23Å; K1724-G1726 VanDerWaalsContact C-N 3.29Å; K1724-G1726 PolarHBondContact O-N 3Å; K1724-G1727 WeakPolarHBondContact O-CA 3.47Å; K1724-G1727 PolarHBondContact O-N 3.46Å; K1724-G1728 PolarHBondContact O-N 2.98Å |
| 1725 | A | 76.3 | Confident | 62.1 | Low | 40 Ų | 40 | 56.4 Ų | 56.4 | 33% | 0.331 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63 | -35.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1721 L1722 G1727 G1728 S1751 | E1721-A1725 WeakPolarHBondContact O-CB 3.46Å; E1721-A1725 PolarHBondContact O-N 3.42Å; L1722-A1725 PolarHBondContact O-N 3.16Å; A1725-G1727 VanDerWaalsContact C-N 3.26Å; A1725-G1727 PolarHBondContact O-N 2.75Å; A1725-G1728 PolarHBondContact O-N 3.41Å; A1725-S1751 PolarHBondContact O-OG 2.93Å |
| 1726 | G | 71.4 | Confident | 58.7 | Low | 8 Ų | 8 | 61.8 Ų | 61.8 | 8% | 0.082 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.4 | -24.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1722 L1723 K1724 | L1722-G1726 PolarHBondContact O-N 2.95Å; L1722-G1726 VanDerWaalsContact O-N 3.09Å; L1723-G1726 PolarHBondContact O-N 3.32Å; K1724-G1726 VanDerWaalsContact C-N 3.29Å; K1724-G1726 PolarHBondContact O-N 3Å |
| 1727 | G | 62.3 | Low | 55.5 | Low | 5 Ų | 5 | 67 Ų | 67 | 5% | 0.052 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -9.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | L1723 K1724 A1725 G1924 | L1723-G1727 PolarHBondContact O-N 3.44Å; K1724-G1727 WeakPolarHBondContact O-CA 3.47Å; K1724-G1727 PolarHBondContact O-N 3.46Å; A1725-G1727 VanDerWaalsContact C-N 3.26Å; A1725-G1727 PolarHBondContact O-N 2.75Å; G1727-G1924 CarbonylContact O-C 3.58Å; G1727-G1924 VanDerWaalsContact O-CA 3.25Å; G1727-G1924 WeakPolarHBondContact O-CA 3.38Å |
| 1728 | G | 57.7 | Low | 52.4 | Low | 36 Ų | 36 | 68.9 Ų | 68.9 | 37% | 0.371 | 47% | 0.47 | S | S | . | . | trans | 71 | 71.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.2 | K1724 A1725 | K1724-G1728 PolarHBondContact O-N 2.98Å; A1725-G1728 PolarHBondContact O-N 3.41Å | ||
| 1729 | S | 37.4 | Very low | 49.2 | Very low | 93 Ų | 93 | 72.7 Ų | 72.7 | 65% | 0.65 | 50% | 0.503 | S | S | * | . | trans | -34.7 | 127.6 | -171.6 | -173.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1730 | S | 30.4 | Very low | 45.9 | Very low | 117 Ų | 117 | 79 Ų | 79 | 82% | 0.818 | 55% | 0.547 | S | S | * | . | trans | -106.1 | 58.2 | 176 | 44 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1731 | S | 23.7 | Very low | 42.7 | Very low | 103 Ų | 103 | 81.6 Ų | 81.6 | 72% | 0.72 | 58% | 0.578 | S | S | * | * | trans | -148.3 | 63.5 | -177.9 | -178.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1732 | A | 22.6 | Very low | 39.6 | Very low | 82 Ų | 82 | 82 Ų | 82 | 68% | 0.678 | 60% | 0.604 | S | S | * | * | trans | -158.2 | 79.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111 | I1734 | A1732-I1734 PolarHBondContact O-N 3.08Š| ||
| 1733 | T | 19.2 | Very low | 36.6 | Very low | 159 Ų | 159 | 85.4 Ų | 85.4 | 98% | 0.975 | 63% | 0.631 | S | S | * | * | trans | -77.6 | 74.1 | 173.2 | -32.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1734 | I | 22.3 | Very low | 33.7 | Very low | 154 Ų | 154 | 96.2 Ų | 96.2 | 79% | 0.79 | 67% | 0.671 | S | S | * | * | trans | -107.7 | 143.1 | 175.8 | -63.2 | -179.9 | 0 | 0 | 0 | 108.6 | A1732 | A1732-I1734 PolarHBondContact O-N 3.08Š| ||
| 1735 | G | 19.8 | Very low | 31.3 | Very low | 64 Ų | 64 | 95.2 Ų | 95.2 | 66% | 0.66 | 68% | 0.684 | S | S | * | * | trans | -59.1 | 157.3 | -162.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | S1737 | G1735-S1737 PolarHBondContact O-N 2.74Š| ||
| 1736 | A | 17.7 | Very low | 29.4 | Very low | 114 Ų | 114 | 98.9 Ų | 98.9 | 94% | 0.942 | 70% | 0.702 | S | S | * | * | trans | -66.3 | 120.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1737 | S | 20.8 | Very low | 28.3 | Very low | 112 Ų | 112 | 102.2 Ų | 102.2 | 78% | 0.783 | 72% | 0.724 | S | S | * | * | trans | -138 | 117.7 | 163 | 62.5 | 0 | 0 | 0 | 0 | 109.4 | G1735 A1739 | G1735-S1737 PolarHBondContact O-N 2.74Å; S1737-A1739 PolarHBondContact O-N 3.35Å | ||
| 1738 | S | 18.2 | Very low | 28 | Very low | 131 Ų | 131 | 104.8 Ų | 104.8 | 92% | 0.916 | 75% | 0.745 | S | S | * | * | trans | -71.2 | 114.2 | -176.2 | 51.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1739 | A | 20.8 | Very low | 28.4 | Very low | 95 Ų | 95 | 105.8 Ų | 105.8 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | -141 | 113.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | S1737 G1741 | S1737-A1739 PolarHBondContact O-N 3.35Å; A1739-G1741 PolarHBondContact O-N 3.5Å | ||
| 1740 | S | 18.5 | Very low | 30.1 | Very low | 134 Ų | 134 | 102 Ų | 102 | 94% | 0.937 | 72% | 0.722 | S | S | * | * | trans | -80.7 | 105.4 | 179 | 52.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1741 | G | 20.3 | Very low | 32.3 | Very low | 71 Ų | 71 | 98 Ų | 98 | 73% | 0.732 | 69% | 0.694 | S | S | * | * | trans | -147.3 | 105.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1739 | A1739-G1741 PolarHBondContact O-N 3.5Š| ||
| 1742 | G | 20.2 | Very low | 34.9 | Very low | 92 Ų | 92 | 93.6 Ų | 93.6 | 95% | 0.948 | 66% | 0.664 | S | S | * | * | trans | -94.5 | 95.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1743 | S | 22 | Very low | 37.8 | Very low | 104 Ų | 104 | 89.7 Ų | 89.7 | 73% | 0.727 | 63% | 0.631 | S | S | * | * | trans | -140.7 | 0.7 | 170.6 | 63.9 | 0 | 0 | 0 | 0 | 115 | G1745 | S1743-G1745 PolarHBondContact O-N 3.02Š| ||
| 1744 | R | 23.9 | Very low | 40.9 | Very low | 227 Ų | 227 | 83.3 Ų | 83.3 | 86% | 0.857 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 19.6 | -162.5 | -151.9 | 175.4 | -179.3 | 178 | 1.2 | 116.2 | ||
| 1745 | G | 32.1 | Very low | 44 | Very low | 59 Ų | 59 | 76 Ų | 76 | 61% | 0.608 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -34.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | S1743 | S1743-G1745 PolarHBondContact O-N 3.02Š|
| 1746 | T | 36.1 | Very low | 47.3 | Very low | 116 Ų | 116 | 72.9 Ų | 72.9 | 71% | 0.712 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -88.4 | -29.5 | -167.8 | 48.4 | 0 | 0 | 0 | 0 | 114.7 | S1749 G1750 | T1746-S1749 PolarHBondContact O-OG 2.94Å; T1746-G1750 PolarHBondContact O-N 2.76Å |
| 1747 | S | 47.6 | Very low | 50.6 | Low | 79 Ų | 79 | 67.5 Ų | 67.5 | 55% | 0.552 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67.5 | -36.1 | 179.7 | 52.8 | 0 | 0 | 0 | 0 | 112.6 | G1750 S1751 | S1747-G1750 PolarHBondContact O-N 2.97Å; S1747-S1751 PolarHBondContact O-N 2.97Å |
| 1748 | A | 57.3 | Low | 53.9 | Low | 59 Ų | 59 | 62.1 Ų | 62.1 | 49% | 0.488 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -68 | -34.9 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1751 A1752 | A1748-S1751 PolarHBondContact O-OG 3.12Å; A1748-A1752 VanDerWaalsContact O-CB 3.32Å; A1748-A1752 WeakPolarHBondContact O-CB 3.46Å; A1748-A1752 PolarHBondContact O-N 3.47Å |
| 1749 | S | 65.1 | Low | 57.5 | Low | 56 Ų | 56 | 55.9 Ų | 55.9 | 39% | 0.392 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.9 | -37.1 | 172.1 | 45 | 0 | 0 | 0 | 0 | 112 | T1746 A1752 S1753 | T1746-S1749 PolarHBondContact O-OG 2.94Å; S1749-A1752 PolarHBondContact O-N 3.05Å; S1749-S1753 PolarHBondContact O-N 3.46Å; S1749-S1753 PolarHBondContact O-OG 3.43Å; S1749-S1753 VanDerWaalsContact O-OG 3.1Å |
| 1750 | G | 72.9 | Confident | 60.8 | Low | 13 Ų | 13 | 51.4 Ų | 51.4 | 13% | 0.134 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69.2 | -40.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T1746 S1747 A1752 S1753 I1754 | T1746-G1750 PolarHBondContact O-N 2.76Å; S1747-G1750 PolarHBondContact O-N 2.97Å; G1750-A1752 VanDerWaalsContact C-N 3.34Å; G1750-S1753 WeakPolarHBondContact CA-OG 3.47Å; G1750-S1753 PolarHBondContact O-OG 3.13Å; G1750-I1754 WeakPolarHBondContact O-CD1 3.39Å; G1750-I1754 VanDerWaalsContact O-CG1 3.23Å; G1750-I1754 WeakPolarHBondContact O-CG1 3.49Å; G1750-I1754 PolarHBondContact O-N 3.43Å |
| 1751 | S | 77.7 | Confident | 64.3 | Low | 35 Ų | 35 | 45 Ų | 45 | 25% | 0.245 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.4 | -37.5 | 173.2 | 66.9 | 0 | 0 | 0 | 0 | 111.6 | A1725 S1747 A1748 A1755 | A1725-S1751 PolarHBondContact O-OG 2.93Å; S1747-S1751 PolarHBondContact O-N 2.97Å; A1748-S1751 PolarHBondContact O-OG 3.12Å; S1751-A1755 VanDerWaalsContact O-CB 3.24Å; S1751-A1755 WeakPolarHBondContact O-CB 3.13Å; S1751-A1755 PolarHBondContact O-N 3.49Å |
| 1752 | A | 78.6 | Confident | 67.7 | Low | 9 Ų | 9 | 41.7 Ų | 41.7 | 7% | 0.074 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.4 | -36.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | P1627 A1748 S1749 G1750 T1756 I1936 | P1627-A1752 HydrophobicContact CG-CB 4.14Å; A1748-A1752 VanDerWaalsContact O-CB 3.32Å; A1748-A1752 WeakPolarHBondContact O-CB 3.46Å; A1748-A1752 PolarHBondContact O-N 3.47Å; S1749-A1752 PolarHBondContact O-N 3.05Å; G1750-A1752 VanDerWaalsContact C-N 3.34Å; A1752-T1756 WeakPolarHBondContact O-CB 3.16Å; A1752-T1756 PolarHBondContact O-N 2.91Å; A1752-T1756 PolarHBondContact O-OG1 2.94Å; A1752-I1936 HydrophobicContact CB-CD1 3.95Å; A1752-I1936 HydrophobicContact CB-CG2 4.44Å |
| 1753 | S | 83 | Confident | 71 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -73.5 | -41.7 | 178.5 | 55.3 | 0 | 0 | 0 | 0 | 112.8 | M1622 S1623 I1625 S1749 G1750 T1756 A1757 | M1622-S1753 WeakPolarHBondContact O-CB 3.37Å; M1622-S1753 PolarHBondContact O-OG 3.18Å; S1623-S1753 WeakPolarHBondContact CA-OG 3.46Å; S1623-S1753 PolarHBondContact O-OG 2.98Å; S1623-S1753 VanDerWaalsContact O-OG 3.05Å; I1625-S1753 WeakPolarHBondContact O-CB 3.4Å; I1625-S1753 PolarHBondContact O-OG 2.92Å; S1749-S1753 PolarHBondContact O-N 3.46Å; S1749-S1753 PolarHBondContact O-OG 3.43Å; S1749-S1753 VanDerWaalsContact O-OG 3.1Å; G1750-S1753 WeakPolarHBondContact CA-OG 3.47Å; G1750-S1753 PolarHBondContact O-OG 3.13Å; S1753-T1756 PolarHBondContact O-N 3.37Å; S1753-A1757 PolarHBondContact O-N 3.4Å |
| 1754 | I | 84.6 | Confident | 74.1 | Confident | 25 Ų | 25 | 36.3 Ų | 36.3 | 13% | 0.128 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61 | -45.8 | 171.7 | -58.5 | 162 | 0 | 0 | 0 | 110.7 | L1619 L1722 G1750 T1756 A1757 A1758 | L1619-I1754 HydrophobicContact CB-CG2 4.23Å; L1722-I1754 HydrophobicContact CD1-CG2 3.91Å; L1722-I1754 HydrophobicContact CD2-CG2 3.7Å; L1722-I1754 HydrophobicContact CG-CG2 4.27Å; G1750-I1754 WeakPolarHBondContact O-CD1 3.39Å; G1750-I1754 VanDerWaalsContact O-CG1 3.23Å; G1750-I1754 WeakPolarHBondContact O-CG1 3.49Å; G1750-I1754 PolarHBondContact O-N 3.43Å; I1754-T1756 VanDerWaalsContact C-N 3.31Å; I1754-T1756 PolarHBondContact O-N 2.86Å; I1754-A1757 WeakPolarHBondContact O-CB 3.45Å; I1754-A1757 PolarHBondContact O-N 3.17Å; I1754-A1758 PolarHBondContact O-N 2.84Å |
| 1755 | A | 87.4 | Confident | 77.2 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.4 | -36.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1722 S1751 A1758 C1759 I1936 M1940 | L1722-A1755 WeakPolarHBondContact O-CB 3.49Å; S1751-A1755 VanDerWaalsContact O-CB 3.24Å; S1751-A1755 WeakPolarHBondContact O-CB 3.13Å; S1751-A1755 PolarHBondContact O-N 3.49Å; A1755-A1758 PolarHBondContact O-N 2.83Å; A1755-C1759 WeakPolarHBondContact O-CB 3.28Å; A1755-C1759 PolarHBondContact O-N 3.24Å; A1755-C1759 PolarHBondContact O-SG 2.9Å; A1755-C1759 VanDerWaalsContact O-SG 3.4Å; A1755-I1936 HydrophobicContact CB-CD1 3.7Å; A1755-M1940 HydrophobicContact CB-CE 4.49Å |
| 1756 | T | 87.6 | Confident | 79.7 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.1 | -39.4 | 173.9 | -59 | 0 | 0 | 0 | 0 | 111.8 | P1627 V1630 A1631 A1752 S1753 I1754 C1759 V1760 E1939 | P1627-T1756 HydrophobicContact CB-CG2 4.33Å; V1630-T1756 HydrophobicContact CB-CG2 4.34Å; V1630-T1756 HydrophobicContact CG1-CG2 4.28Å; A1631-T1756 HydrophobicContact CB-CG2 4.05Å; A1752-T1756 WeakPolarHBondContact O-CB 3.16Å; A1752-T1756 PolarHBondContact O-N 2.91Å; A1752-T1756 PolarHBondContact O-OG1 2.94Å; S1753-T1756 PolarHBondContact O-N 3.37Å; I1754-T1756 VanDerWaalsContact C-N 3.31Å; I1754-T1756 PolarHBondContact O-N 2.86Å; T1756-C1759 WeakPolarHBondContact O-CB 3.35Å; T1756-C1759 PolarHBondContact O-N 3.17Å; T1756-V1760 PolarHBondContact O-N 2.77Å; T1756-V1760 VanDerWaalsContact O-N 3.08Å; T1756-E1939 HydrophobicContact CG2-CB 4.31Å; T1756-E1939 HydrophobicContact CG2-CG 4.05Å |
| 1757 | A | 87.8 | Confident | 82 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62 | -44.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1619 M1622 V1630 S1753 I1754 V1760 F1761 | L1619-A1757 HydrophobicContact CD2-CB 3.57Å; M1622-A1757 HydrophobicContact CB-CB 3.81Å; M1622-A1757 HydrophobicContact CG-CB 3.65Å; V1630-A1757 HydrophobicContact CG1-CB 3.61Å; S1753-A1757 PolarHBondContact O-N 3.4Å; I1754-A1757 WeakPolarHBondContact O-CB 3.45Å; I1754-A1757 PolarHBondContact O-N 3.17Å; A1757-V1760 PolarHBondContact O-N 3.18Å; A1757-F1761 WeakPolarHBondContact O-CB 3.31Å; A1757-F1761 PolarHBondContact O-N 3.4Å |
| 1758 | A | 91.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.1 | -43.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1619 I1754 A1755 V1760 F1761 I1762 | L1619-A1758 HydrophobicContact CD1-CB 4.11Å; L1619-A1758 HydrophobicContact CD2-CB 4.46Å; I1754-A1758 PolarHBondContact O-N 2.84Å; A1755-A1758 PolarHBondContact O-N 2.83Å; A1758-V1760 PolarHBondContact O-N 2.66Å; A1758-F1761 PolarHBondContact O-N 3.42Å; A1758-I1762 WeakPolarHBondContact O-CB 3.5Å; A1758-I1762 WeakPolarHBondContact O-CD1 3.49Å; A1758-I1762 VanDerWaalsContact O-CG1 3.25Å; A1758-I1762 WeakPolarHBondContact O-CG1 3.05Å; A1758-I1762 PolarHBondContact O-N 3.09Å |
| 1759 | C | 92.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -53.3 | -51.5 | 173 | -83.3 | 0 | 0 | 0 | 0 | 112.4 | L1723 A1755 T1756 I1762 I1763 E1939 T1943 | L1723-C1759 VanDerWaalsContact CD2-SG 3.57Å; A1755-C1759 WeakPolarHBondContact O-CB 3.28Å; A1755-C1759 PolarHBondContact O-N 3.24Å; A1755-C1759 PolarHBondContact O-SG 2.9Å; A1755-C1759 VanDerWaalsContact O-SG 3.4Å; T1756-C1759 WeakPolarHBondContact O-CB 3.35Å; T1756-C1759 PolarHBondContact O-N 3.17Å; C1759-I1762 PolarHBondContact O-N 3.25Å; C1759-I1763 WeakPolarHBondContact O-CG1 3.45Å; C1759-I1763 PolarHBondContact O-N 2.89Å; C1759-E1939 HydrophobicContact CB-CB 4.22Å; C1759-T1943 VanDerWaalsContact C-OG1 3.31Å; C1759-T1943 VanDerWaalsContact CA-OG1 3.24Å; C1759-T1943 WeakPolarHBondContact CA-OG1 3.42Å; C1759-T1943 WeakPolarHBondContact CB-OG1 3.41Å; C1759-T1943 PolarHBondContact O-OG1 2.92Å |
| 1760 | V | 91.1 | Very high | 85 | Confident | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -72.4 | -33 | -178.7 | -177.8 | 0 | 0 | 0 | 0 | 112.1 | M1634 R1635 T1756 A1757 A1758 I1763 H1764 | M1634-V1760 HydrophobicContact CB-CB 4.01Å; M1634-V1760 HydrophobicContact CB-CG1 3.51Å; R1635-V1760 HydrophobicContact CG-CG1 4.04Å; T1756-V1760 PolarHBondContact O-N 2.77Å; T1756-V1760 VanDerWaalsContact O-N 3.08Å; A1757-V1760 PolarHBondContact O-N 3.18Å; A1758-V1760 PolarHBondContact O-N 2.66Å; V1760-I1763 PolarHBondContact O-N 2.94Å; V1760-H1764 PolarHBondContact O-N 3.24Å; V1760-H1764 PolarHBondContact O-ND1 3.44Å |
| 1761 | F | 92.2 | Very high | 84.5 | Confident | 1 Ų | 1 | 19.2 Ų | 19.2 | 0% | 0.004 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61 | -46.2 | 171.5 | -173.3 | -84.8 | 0 | 0 | 0 | 111.7 | V1615 L1619 M1634 L1700 V1704 L1707 F1719 A1757 A1758 I1763 H1764 L1765 | V1615-F1761 HydrophobicContact CB-CZ 4.45Å; V1615-F1761 HydrophobicContact CG1-CE1 4.1Å; V1615-F1761 HydrophobicContact CG1-CE2 3.98Å; V1615-F1761 HydrophobicContact CG1-CZ 3.72Å; V1615-F1761 HydrophobicContact CG2-CE2 4.06Å; V1615-F1761 HydrophobicContact CG2-CZ 3.76Å; L1619-F1761 HydrophobicContact CD2-CB 4.36Å; M1634-F1761 HydrophobicContact CE-CB 3.99Å; M1634-F1761 HydrophobicContact CE-CD2 4.23Å; L1700-F1761 HydrophobicContact CB-CD2 4.08Å; L1700-F1761 HydrophobicContact CB-CE2 4.18Å; L1700-F1761 HydrophobicContact CD2-CD2 3.87Å; L1700-F1761 HydrophobicContact CD2-CE2 3.78Å; L1700-F1761 HydrophobicContact CG-CD2 4.48Å; L1700-F1761 WeakPolarHBondContact O-CE2 3.05Å; V1704-F1761 HydrophobicContact CG2-CD1 4.49Å; V1704-F1761 HydrophobicContact CG2-CD2 3.91Å; V1704-F1761 HydrophobicContact CG2-CE1 4.15Å; V1704-F1761 HydrophobicContact CG2-CE2 3.55Å; V1704-F1761 HydrophobicContact CG2-CG 4.37Å; V1704-F1761 HydrophobicContact CG2-CZ 3.68Å; L1707-F1761 HydrophobicContact CD1-CE1 3.94Å; L1707-F1761 HydrophobicContact CD1-CZ 3.85Å; F1719-F1761 HydrophobicContact CE2-CD1 4.37Å; F1719-F1761 HydrophobicContact CE2-CE1 4.35Å; F1719-F1761 AromaticContact CZ-CD1 3.82Å; F1719-F1761 HydrophobicContact CZ-CD1 3.82Å; F1719-F1761 AromaticContact CZ-CE1 3.77Å; F1719-F1761 HydrophobicContact CZ-CE1 3.77Å; A1757-F1761 WeakPolarHBondContact O-CB 3.31Å; A1757-F1761 PolarHBondContact O-N 3.4Å; A1758-F1761 PolarHBondContact O-N 3.42Å; F1761-I1763 VanDerWaalsContact C-N 3.35Å; F1761-I1763 PolarHBondContact O-N 3.45Å; F1761-H1764 PolarHBondContact O-N 3.4Å; F1761-H1764 VanDerWaalsContact O-N 3.14Å; F1761-L1765 PolarHBondContact O-N 3.34Å |
| 1762 | I | 91.3 | Very high | 83.4 | Confident | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.2 | -37.4 | 177.6 | -67 | 164.3 | 0 | 0 | 0 | 111 | F1719 L1723 A1758 C1759 H1764 L1765 A1766 L1914 T1943 L1947 | F1719-I1762 HydrophobicContact CB-CD1 4.41Å; F1719-I1762 HydrophobicContact CD2-CD1 4.18Å; F1719-I1762 HydrophobicContact CD2-CG1 4.23Å; F1719-I1762 HydrophobicContact CE2-CG1 4.35Å; F1719-I1762 HydrophobicContact CG-CD1 4.36Å; L1723-I1762 HydrophobicContact CD1-CD1 4.11Å; A1758-I1762 WeakPolarHBondContact O-CB 3.5Å; A1758-I1762 WeakPolarHBondContact O-CD1 3.49Å; A1758-I1762 VanDerWaalsContact O-CG1 3.25Å; A1758-I1762 WeakPolarHBondContact O-CG1 3.05Å; A1758-I1762 PolarHBondContact O-N 3.09Å; C1759-I1762 PolarHBondContact O-N 3.25Å; I1762-H1764 VanDerWaalsContact C-N 3.33Å; I1762-H1764 PolarHBondContact O-N 3.22Å; I1762-L1765 PolarHBondContact O-N 2.98Å; I1762-A1766 VanDerWaalsContact O-CB 3.28Å; I1762-A1766 WeakPolarHBondContact O-CB 3.28Å; I1762-A1766 PolarHBondContact O-N 3.36Å; I1762-L1914 HydrophobicContact CD1-CD2 4.29Å; I1762-L1914 HydrophobicContact CG2-CD1 4.46Å; I1762-T1943 HydrophobicContact CB-CG2 3.89Å; I1762-T1943 HydrophobicContact CG2-CG2 3.63Å; I1762-L1947 HydrophobicContact CG2-CD1 4.09Å; I1762-L1947 HydrophobicContact CG2-CD2 3.87Å; I1762-L1947 HydrophobicContact CG2-CG 4.05Å |
| 1763 | I | 90 | Very high | 82.1 | Confident | 26 Ų | 26 | 25.8 Ų | 25.8 | 13% | 0.133 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60 | -42.1 | 171.8 | -69.1 | 164.9 | 0 | 0 | 0 | 111.1 | C1759 V1760 F1761 A1766 A1767 K1942 T1943 | C1759-I1763 WeakPolarHBondContact O-CG1 3.45Å; C1759-I1763 PolarHBondContact O-N 2.89Å; V1760-I1763 PolarHBondContact O-N 2.94Å; F1761-I1763 VanDerWaalsContact C-N 3.35Å; F1761-I1763 PolarHBondContact O-N 3.45Å; I1763-A1766 PolarHBondContact O-N 3.19Å; I1763-A1767 WeakPolarHBondContact O-CB 3.42Å; I1763-A1767 PolarHBondContact O-N 3.2Å; I1763-K1942 HydrophobicContact CD1-CB 3.88Å; I1763-T1943 WeakPolarHBondContact CD1-OG1 3.35Å; I1763-T1943 HydrophobicContact CG1-CG2 4.43Å |
| 1764 | H | 87.3 | Confident | 80.2 | Confident | 57 Ų | 57 | 29.4 Ų | 29.4 | 26% | 0.264 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -68.4 | -36.9 | 177.2 | -76.2 | 76.4 | 0 | 0 | 0 | 112.7 | M1634 V1704 V1760 F1761 I1762 A1767 A1768 | M1634-H1764 PolarHBondContact O-CE1 3.43Å; M1634-H1764 PolarHBondContact O-NE2 2.82Å; V1704-H1764 HydrophobicContact CG1-CB 4.28Å; V1704-H1764 HydrophobicContact CG2-CB 4.18Å; V1760-H1764 PolarHBondContact O-N 3.24Å; V1760-H1764 PolarHBondContact O-ND1 3.44Å; F1761-H1764 PolarHBondContact O-N 3.4Å; F1761-H1764 VanDerWaalsContact O-N 3.14Å; I1762-H1764 VanDerWaalsContact C-N 3.33Å; I1762-H1764 PolarHBondContact O-N 3.22Å; H1764-A1767 PolarHBondContact O-N 3.47Å; H1764-A1768 WeakPolarHBondContact O-CB 3.28Å; H1764-A1768 PolarHBondContact O-N 3.14Å |
| 1765 | L | 87.7 | Confident | 77.6 | Confident | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.6 | -38.6 | 175.3 | -176.2 | 63.7 | 0 | 0 | 0 | 112.4 | V1704 L1707 L1712 F1761 I1762 A1768 N1769 L1907 | V1704-L1765 HydrophobicContact CG1-CB 4.39Å; V1704-L1765 HydrophobicContact CG1-CD1 4.37Å; L1707-L1765 HydrophobicContact CD1-CD1 4.12Å; L1707-L1765 HydrophobicContact CD1-CD2 4.41Å; L1712-L1765 HydrophobicContact CD1-CD2 3.6Å; L1712-L1765 HydrophobicContact CD2-CD2 4.27Å; F1761-L1765 PolarHBondContact O-N 3.34Å; I1762-L1765 PolarHBondContact O-N 2.98Å; L1765-A1768 PolarHBondContact O-N 2.83Å; L1765-N1769 PolarHBondContact O-N 2.6Å; L1765-N1769 PolarHBondContact O-ND2 3.39Å; L1765-N1769 VanDerWaalsContact O-ND2 3.13Å; L1765-L1907 HydrophobicContact CD2-CD1 3.97Å |
| 1766 | A | 85.9 | Confident | 74.6 | Confident | 3 Ų | 3 | 38.7 Ų | 38.7 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.5 | -46 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I1762 I1763 A1768 N1769 T1770 L1907 F1950 | I1762-A1766 VanDerWaalsContact O-CB 3.28Å; I1762-A1766 WeakPolarHBondContact O-CB 3.28Å; I1762-A1766 PolarHBondContact O-N 3.36Å; I1763-A1766 PolarHBondContact O-N 3.19Å; A1766-A1768 PolarHBondContact O-N 3.12Å; A1766-N1769 WeakPolarHBondContact O-CB 3.19Å; A1766-N1769 PolarHBondContact O-N 3.12Å; A1766-T1770 PolarHBondContact O-N 3.3Å; A1766-T1770 PolarHBondContact O-OG1 3.18Å; A1766-L1907 HydrophobicContact CB-CD2 3.96Å; A1766-F1950 HydrophobicContact CB-CE2 3.95Å |
| 1767 | A | 83.1 | Confident | 71.7 | Confident | 42 Ų | 42 | 44.2 Ų | 44.2 | 35% | 0.347 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1763 H1764 T1770 N1771 | I1763-A1767 WeakPolarHBondContact O-CB 3.42Å; I1763-A1767 PolarHBondContact O-N 3.2Å; H1764-A1767 PolarHBondContact O-N 3.47Å; A1767-T1770 WeakPolarHBondContact CA-OG1 3.43Å; A1767-T1770 PolarHBondContact O-N 3.11Å; A1767-T1770 PolarHBondContact O-OG1 3.09Å; A1767-N1771 WeakPolarHBondContact O-CB 3.48Å; A1767-N1771 PolarHBondContact O-N 3.13Å; A1767-N1771 PolarHBondContact O-ND2 2.97Å |
| 1768 | A | 79 | Confident | 68.6 | Low | 35 Ų | 35 | 53.2 Ų | 53.2 | 29% | 0.289 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1704 H1764 L1765 A1766 N1771 A1772 | V1704-A1768 HydrophobicContact CG1-CB 4Å; H1764-A1768 WeakPolarHBondContact O-CB 3.28Å; H1764-A1768 PolarHBondContact O-N 3.14Å; L1765-A1768 PolarHBondContact O-N 2.83Å; A1766-A1768 PolarHBondContact O-N 3.12Å; A1768-N1771 PolarHBondContact O-N 3.36Å; A1768-A1772 WeakPolarHBondContact O-CB 3.46Å; A1768-A1772 PolarHBondContact O-N 2.65Å |
| 1769 | N | 79.9 | Confident | 65.3 | Low | 19 Ų | 19 | 59 Ų | 59 | 10% | 0.102 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 174.1 | -93.1 | -111.2 | 0 | 0 | 0 | 112 | L1765 A1766 N1771 A1772 L1773 A1905 L1907 F1950 | L1765-N1769 PolarHBondContact O-N 2.6Å; L1765-N1769 PolarHBondContact O-ND2 3.39Å; L1765-N1769 VanDerWaalsContact O-ND2 3.13Å; A1766-N1769 WeakPolarHBondContact O-CB 3.19Å; A1766-N1769 PolarHBondContact O-N 3.12Å; N1769-N1771 VanDerWaalsContact C-N 3.28Å; N1769-N1771 PolarHBondContact O-N 3.17Å; N1769-A1772 PolarHBondContact O-N 2.93Å; N1769-L1773 PolarHBondContact O-N 2.89Å; N1769-L1773 VanDerWaalsContact O-N 3.1Å; N1769-A1905 PolarHBondContact ND2-O 2.84Å; N1769-A1905 PolarHBondContact OD1-O 2.89Å; N1769-L1907 PolarHBondContact OD1-N 2.8Å; N1769-F1950 HydrophobicContact CB-CE1 3.76Å; N1769-F1950 HydrophobicContact CB-CZ 3.56Å |
| 1770 | T | 73.9 | Confident | 62 | Low | 40 Ų | 40 | 65.1 Ų | 65.1 | 25% | 0.245 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.6 | -31.9 | 175.4 | 44.5 | 0 | 0 | 0 | 0 | 113.2 | A1766 A1767 F1950 | A1766-T1770 PolarHBondContact O-N 3.3Å; A1766-T1770 PolarHBondContact O-OG1 3.18Å; A1767-T1770 WeakPolarHBondContact CA-OG1 3.43Å; A1767-T1770 PolarHBondContact O-N 3.11Å; A1767-T1770 PolarHBondContact O-OG1 3.09Å; T1770-F1950 HydrophobicContact CG2-CE2 4.3Å; T1770-F1950 HydrophobicContact CG2-CZ 3.73Å |
| 1771 | N | 63.2 | Low | 58.7 | Low | 106 Ų | 106 | 70.7 Ų | 70.7 | 57% | 0.567 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -77.2 | -36.2 | 177.3 | -70.1 | -10.7 | 0 | 0 | 0 | 111.9 | A1767 A1768 N1769 L1773 A1774 V1775 | A1767-N1771 WeakPolarHBondContact O-CB 3.48Å; A1767-N1771 PolarHBondContact O-N 3.13Å; A1767-N1771 PolarHBondContact O-ND2 2.97Å; A1768-N1771 PolarHBondContact O-N 3.36Å; N1769-N1771 VanDerWaalsContact C-N 3.28Å; N1769-N1771 PolarHBondContact O-N 3.17Å; N1771-L1773 VanDerWaalsContact C-N 3.29Å; N1771-L1773 PolarHBondContact O-N 3.27Å; N1771-A1774 PolarHBondContact O-N 2.8Å; N1771-V1775 WeakPolarHBondContact O-CG2 3.47Å; N1771-V1775 PolarHBondContact O-N 3.39Å |
| 1772 | A | 54.7 | Low | 55.3 | Low | 44 Ų | 44 | 76 Ų | 76 | 36% | 0.364 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.3 | -38.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1768 N1769 A1774 F1904 | A1768-A1772 WeakPolarHBondContact O-CB 3.46Å; A1768-A1772 PolarHBondContact O-N 2.65Å; N1769-A1772 PolarHBondContact O-N 2.93Å; A1772-A1774 PolarHBondContact O-N 2.94Å; A1772-F1904 HydrophobicContact CB-CD2 4.5Å |
| 1773 | L | 52.1 | Low | 52 | Low | 138 Ų | 138 | 83.6 Ų | 83.6 | 72% | 0.723 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -18.1 | 171.6 | -76.5 | 162.9 | 0 | 0 | 0 | 114.1 | N1769 N1771 F1950 | N1769-L1773 PolarHBondContact O-N 2.89Å; N1769-L1773 VanDerWaalsContact O-N 3.1Å; N1771-L1773 VanDerWaalsContact C-N 3.29Å; N1771-L1773 PolarHBondContact O-N 3.27Å; L1773-F1950 HydrophobicContact CD1-CE1 4.2Å |
| 1774 | A | 42.4 | Very low | 48.7 | Very low | 77 Ų | 77 | 91.7 Ų | 91.7 | 64% | 0.636 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | -16.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | N1771 A1772 | N1771-A1774 PolarHBondContact O-N 2.8Å; A1772-A1774 PolarHBondContact O-N 2.94Å |
| 1775 | V | 30.9 | Very low | 45.5 | Very low | 119 Ų | 119 | 95.2 Ų | 95.2 | 72% | 0.721 | 57% | 0.566 | S | S | * | * | trans | -115.5 | 45.3 | -171.6 | -167.9 | 0 | 0 | 0 | 0 | 111.6 | N1771 P1777 | N1771-V1775 WeakPolarHBondContact O-CG2 3.47Å; N1771-V1775 PolarHBondContact O-N 3.39Å; V1775-P1777 WeakPolarHBondContact O-CD 3.42Å | ||
| 1776 | S | 24.1 | Very low | 42.3 | Very low | 100 Ų | 100 | 99.2 Ų | 99.2 | 70% | 0.699 | 60% | 0.6 | S | S | * | * | trans | -109.2 | 101.2 | 169.4 | -176 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1777 | P | 26.1 | Very low | 39.1 | Very low | 116 Ų | 116 | 104 Ų | 104 | 75% | 0.753 | 64% | 0.639 | S | S | * | * | trans | -104.2 | 71.4 | -174.6 | 38.2 | -33 | 0 | 0 | 0 | 112.9 | V1775 | V1775-P1777 WeakPolarHBondContact O-CD 3.42Š| ||
| 1778 | K | 22.7 | Very low | 36.1 | Very low | 189 Ų | 189 | 107.6 Ų | 107.6 | 82% | 0.822 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -169.7 | 163.3 | 155.6 | -108.2 | 151.2 | -169.7 | 178.9 | 0 | 113 | ||
| 1779 | T | 22.4 | Very low | 33.3 | Very low | 123 Ų | 123 | 117.5 Ų | 117.5 | 76% | 0.755 | 69% | 0.691 | S | S | * | * | trans | 54.9 | 103.5 | -179.8 | 49.4 | 0 | 0 | 0 | 0 | 116 | T1781 | T1779-T1781 PolarHBondContact O-N 3.49Å; T1779-T1781 VanDerWaalsContact O-N 3.08Å | ||
| 1780 | S | 21.6 | Very low | 30.5 | Very low | 128 Ų | 128 | 121.2 Ų | 121.2 | 90% | 0.895 | 72% | 0.719 | S | S | * | * | trans | -70.1 | 92.7 | 162.9 | 51.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1781 | T | 21.7 | Very low | 27.9 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 71% | 0.712 | 75% | 0.745 | S | S | * | * | trans | -148.2 | 122.6 | 170 | -21.5 | 0 | 0 | 0 | 0 | 109.5 | T1779 I1783 | T1779-T1781 PolarHBondContact O-N 3.49Å; T1779-T1781 VanDerWaalsContact O-N 3.08Å; T1781-I1783 PolarHBondContact O-N 2.99Å | ||
| 1782 | C | 22 | Very low | 26.1 | Very low | 113 Ų | 113 | 129 Ų | 129 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | trans | -74.6 | 114.7 | -173 | -175 | 0 | 0 | 0 | 0 | 111.1 | R1784 | C1782-R1784 PolarHBondContact O-N 3.06Š| ||
| 1783 | I | 21.4 | Very low | 24.4 | Very low | 160 Ų | 160 | 132.7 Ų | 132.7 | 82% | 0.821 | 78% | 0.777 | S | S | * | * | trans | -81.7 | 68.4 | 166.7 | -51.6 | -176.9 | 0 | 0 | 0 | 109.2 | T1781 | T1781-I1783 PolarHBondContact O-N 2.99Š| ||
| 1784 | R | 20.5 | Very low | 23.1 | Very low | 197 Ų | 197 | 130.2 Ų | 130.2 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -132.8 | 51.3 | 157.5 | -166.1 | -166.1 | -84.8 | -161 | -5.4 | 109.4 | C1782 | C1782-R1784 PolarHBondContact O-N 3.06Š|
| 1785 | C | 20.4 | Very low | 22 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -173 | 83.6 | 162 | -104.2 | 0 | 0 | 0 | 0 | 109.8 | ||
| 1786 | A | 19.5 | Very low | 21.5 | Very low | 89 Ų | 89 | 129.7 Ų | 129.7 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | -158 | 45.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1787 | A | 20.7 | Very low | 21.5 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | -149 | 50.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1788 | S | 19.2 | Very low | 21.2 | Very low | 117 Ų | 117 | 134 Ų | 134 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -158.4 | 75.7 | 174 | 58.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1789 | R | 19.8 | Very low | 21.1 | Very low | 243 Ų | 243 | 131.7 Ų | 131.7 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | trans | -152.6 | 134.6 | 156.5 | -135.8 | 173.2 | -169.2 | 178.4 | 3.6 | 114.6 | ||||
| 1790 | S | 21.6 | Very low | 21 | Very low | 98 Ų | 98 | 130.5 Ų | 130.5 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | trans | 47.3 | 100.9 | 162.1 | 56.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1791 | Q | 19.6 | Very low | 21.1 | Very low | 168 Ų | 168 | 132.5 Ų | 132.5 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -55.8 | 149.6 | 137.4 | -57.7 | 171 | 3.1 | 0 | 0 | 109.6 | ||||
| 1792 | V | 24 | Very low | 21 | Very low | 140 Ų | 140 | 131.8 Ų | 131.8 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | -135.5 | 139.4 | 153.9 | 178.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1793 | V | 20.3 | Very low | 21.1 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 75% | 0.745 | 78% | 0.784 | S | S | * | * | trans | -104.3 | 172.4 | -169.8 | 176.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1794 | A | 23.4 | Very low | 21.6 | Very low | 85 Ų | 85 | 129.1 Ų | 129.1 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | trans | 79.4 | 122.7 | 179 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1795 | S | 20.1 | Very low | 21.6 | Very low | 113 Ų | 113 | 124.5 Ų | 124.5 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | cis | 104.4 | 119.1 | 20.9 | 75.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 1796 | G | 21.2 | Very low | 21.8 | Very low | 72 Ų | 72 | 124.9 Ų | 124.9 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | 80.2 | 125.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1797 | L | 23.6 | Very low | 22 | Very low | 172 Ų | 172 | 128.2 Ų | 128.2 | 90% | 0.901 | 77% | 0.765 | S | S | * | * | -151.7 | 171.1 | 65.4 | -132.8 | 72.3 | 0 | 0 | 0 | 113.8 | |||||
| 1798 | D | 20.5 | Very low | 22.1 | Very low | 135 Ų | 135 | 128.2 Ų | 128.2 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | trans | -82.5 | 172 | -168.2 | -54.7 | -81.4 | 0 | 0 | 0 | 117 | ||||
| 1799 | N | 20.6 | Very low | 22.2 | Very low | 140 Ų | 140 | 132.1 Ų | 132.1 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | trans | 63 | 97 | 145.8 | -69.3 | -25.1 | 0 | 0 | 0 | 119.6 | ||||
| 1800 | S | 20.2 | Very low | 22.6 | Very low | 99 Ų | 99 | 128.1 Ų | 128.1 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | 29.2 | 118.8 | 114.5 | 64.3 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 1801 | N | 23.5 | Very low | 22.6 | Very low | 169 Ų | 169 | 128.7 Ų | 128.7 | 90% | 0.904 | 75% | 0.753 | S | S | * | * | trans | -147.3 | 155.8 | 135.6 | -114.4 | -42.4 | 0 | 0 | 0 | 111.7 | ||||
| 1802 | S | 19.6 | Very low | 23.4 | Very low | 102 Ų | 102 | 126.9 Ų | 126.9 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | trans | -89.1 | 157.5 | -169.2 | 57.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1803 | S | 24.5 | Very low | 23.3 | Very low | 104 Ų | 104 | 126.2 Ų | 126.2 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | -23.9 | 168.2 | 142.9 | 25 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1804 | P | 30.5 | Very low | 23.4 | Very low | 113 Ų | 113 | 123.3 Ų | 123.3 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | cis | -137.9 | -161.4 | 0.8 | 36.3 | -15.2 | 0 | 0 | 0 | 114.5 | ||||
| 1805 | S | 20.9 | Very low | 23.4 | Very low | 100 Ų | 100 | 125.4 Ų | 125.4 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | trans | 79.4 | 162.2 | 162.6 | 87.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1806 | H | 24.1 | Very low | 23.5 | Very low | 137 Ų | 137 | 123.9 Ų | 123.9 | 63% | 0.634 | 75% | 0.751 | S | S | * | * | cis | -161.6 | 147.4 | 10.5 | -139.4 | -8 | 0 | 0 | 0 | 110.9 | ||||
| 1807 | K | 24.1 | Very low | 23.6 | Very low | 160 Ų | 160 | 129 Ų | 129 | 70% | 0.696 | 76% | 0.755 | S | S | * | * | trans | 59.9 | -174.2 | 153.2 | -67.2 | 158.1 | 173.9 | 152.1 | 0 | 114.2 | ||||
| 1808 | T | 22.2 | Very low | 23.5 | Very low | 102 Ų | 102 | 125.2 Ų | 125.2 | 63% | 0.626 | 74% | 0.743 | S | S | * | * | cis | -153.6 | 146.5 | -8 | -4.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1809 | Y | 22.6 | Very low | 23.6 | Very low | 199 Ų | 199 | 124.4 Ų | 124.4 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | trans | 43.3 | 132.2 | 138.4 | -69.2 | -148.2 | 0 | 0 | 0 | 120.5 | ||||
| 1810 | N | 26.6 | Very low | 24.2 | Very low | 159 Ų | 159 | 123.8 Ų | 123.8 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | -167.9 | 159.7 | 96.9 | -101.6 | -39.6 | 0 | 0 | 0 | 114.4 | |||||
| 1811 | S | 22.5 | Very low | 24.4 | Very low | 110 Ų | 110 | 124.2 Ų | 124.2 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | -100.8 | 165.9 | -173.5 | -60.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1812 | P | 36.5 | Very low | 24.5 | Very low | 131 Ų | 131 | 121.2 Ų | 121.2 | 85% | 0.851 | 75% | 0.747 | S | S | * | * | trans | -98.2 | 157.2 | -165.6 | 37.6 | -36 | 0 | 0 | 0 | 115.8 | ||||
| 1813 | S | 20.8 | Very low | 24.7 | Very low | 126 Ų | 126 | 124 Ų | 124 | 88% | 0.881 | 75% | 0.753 | S | S | * | * | trans | -161.7 | 146.5 | 164.6 | 57.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1814 | G | 22.8 | Very low | 24.5 | Very low | 61 Ų | 61 | 130.2 Ų | 130.2 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | cis | 159.1 | 161.1 | -2.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1815 | S | 24.2 | Very low | 24.2 | Very low | 129 Ų | 129 | 128 Ų | 128 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | trans | 67.9 | 162.4 | -177.5 | 84 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1816 | S | 22.3 | Very low | 24.2 | Very low | 82 Ų | 82 | 131.1 Ų | 131.1 | 57% | 0.573 | 77% | 0.767 | S | S | * | * | cis | -156.4 | 154.1 | 14.3 | 58.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1817 | H | 22.7 | Very low | 24.4 | Very low | 179 Ų | 179 | 129.7 Ų | 129.7 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | trans | 66.1 | 149.5 | 165.3 | -54.4 | -67.3 | 0 | 0 | 0 | 118.1 | ||||
| 1818 | S | 21 | Very low | 25 | Very low | 93 Ų | 93 | 127.6 Ų | 127.6 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | cis | -171.3 | 130.6 | -24.8 | 51.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 1819 | S | 24.2 | Very low | 25.4 | Very low | 118 Ų | 118 | 128.6 Ų | 128.6 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | 58.9 | 166.2 | 142.3 | -59.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1820 | P | 31.8 | Very low | 25.8 | Very low | 127 Ų | 127 | 125.3 Ų | 125.3 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | cis | -129.7 | -162.3 | -17.8 | 34 | -12.7 | 0 | 0 | 0 | 113.3 | ||||
| 1821 | S | 24.7 | Very low | 25.8 | Very low | 108 Ų | 108 | 123.5 Ų | 123.5 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -98.2 | 178.3 | 177.5 | -46.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1822 | S | 25.8 | Very low | 26.8 | Very low | 106 Ų | 106 | 122.7 Ų | 122.7 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | 88.4 | 113.6 | 149.9 | 72.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1823 | L | 23.2 | Very low | 26.1 | Very low | 161 Ų | 161 | 123.2 Ų | 123.2 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | 60.7 | 140.8 | 128.5 | -68.2 | 162.8 | 0 | 0 | 0 | 123.4 | |||||
| 1824 | Y | 20.1 | Very low | 26.4 | Very low | 234 Ų | 234 | 120.2 Ų | 120.2 | 92% | 0.918 | 77% | 0.768 | S | S | * | * | trans | 75.1 | 142.4 | 174.8 | -76.7 | -83.7 | 0 | 0 | 0 | 118.9 | ||||
| 1825 | G | 25.1 | Very low | 26.2 | Very low | 65 Ų | 65 | 121.7 Ų | 121.7 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | trans | 86.4 | 127.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1826 | L | 21.1 | Very low | 26.2 | Very low | 166 Ų | 166 | 120.2 Ų | 120.2 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | cis | 56.6 | 115.4 | 7.7 | -61.7 | 174.6 | 0 | 0 | 0 | 115.4 | ||||
| 1827 | S | 27.3 | Very low | 26.4 | Very low | 108 Ų | 108 | 126.1 Ų | 126.1 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | cis | -161 | 1.3 | -12.4 | -128 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1828 | P | 37.3 | Very low | 26.4 | Very low | 115 Ų | 115 | 125.9 Ų | 125.9 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | trans | -122.4 | 140.4 | 160.3 | 35.9 | -24.3 | 0 | 0 | 0 | 111.6 | ||||
| 1829 | P | 30.2 | Very low | 26.8 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | -136.4 | 137.8 | 63.1 | 32.3 | -13.8 | 0 | 0 | 0 | 116.8 | |||||
| 1830 | T | 32.2 | Very low | 26.7 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | trans | -4.2 | 154.5 | 157.5 | 45.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1831 | P | 26.6 | Very low | 26.4 | Very low | 121 Ų | 121 | 125.5 Ų | 125.5 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | -105 | -63.1 | -142.1 | 9.1 | 12.6 | 0 | 0 | 0 | 119.6 | ||||
| 1832 | P | 43 | Very low | 26.3 | Very low | 93 Ų | 93 | 128.7 Ų | 128.7 | 60% | 0.604 | 78% | 0.777 | S | S | * | * | -117.7 | 164.1 | -88 | 38 | -28.9 | 0 | 0 | 0 | 115.8 | G1834 | P1832-G1834 VanDerWaalsContact C-N 3.26Å; P1832-G1834 PolarHBondContact O-N 3.19Å | |||
| 1833 | C | 21.6 | Very low | 26.1 | Very low | 142 Ų | 142 | 128.1 Ų | 128.1 | 96% | 0.959 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -64.6 | 96.5 | 140.6 | -96.1 | 0 | 0 | 0 | 0 | 107.5 | S1835 | C1833-S1835 PolarHBondContact O-N 3.1Š|
| 1834 | G | 27.3 | Very low | 26 | Very low | 64 Ų | 64 | 129.4 Ų | 129.4 | 66% | 0.66 | 78% | 0.78 | S | S | * | * | trans | -65.3 | 99.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P1832 | P1832-G1834 VanDerWaalsContact C-N 3.26Å; P1832-G1834 PolarHBondContact O-N 3.19Å | ||
| 1835 | S | 19.5 | Very low | 26.2 | Very low | 91 Ų | 91 | 123 Ų | 123 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | trans | -35.5 | 130.9 | 160.7 | 47.5 | 0 | 0 | 0 | 0 | 115.1 | C1833 Y1837 | C1833-S1835 PolarHBondContact O-N 3.1Å; S1835-Y1837 VanDerWaalsContact C-N 3.26Å; S1835-Y1837 PolarHBondContact O-N 2.99Å; S1835-Y1837 PolarHBondContact OG-O 3.27Å | ||
| 1836 | A | 24.1 | Very low | 26.3 | Very low | 98 Ų | 98 | 126 Ų | 126 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -85 | 76.8 | 141.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1837 | Y | 26.3 | Very low | 26.5 | Very low | 206 Ų | 206 | 121.1 Ų | 121.1 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | trans | -167.7 | 131.2 | 159.1 | -90.1 | -69.2 | 0 | 0 | 0 | 105 | S1835 | S1835-Y1837 VanDerWaalsContact C-N 3.26Å; S1835-Y1837 PolarHBondContact O-N 2.99Å; S1835-Y1837 PolarHBondContact OG-O 3.27Å | ||
| 1838 | E | 21.8 | Very low | 26.4 | Very low | 175 Ų | 175 | 120.2 Ų | 120.2 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | cis | -118.3 | 164 | 10.1 | -66.9 | 178.3 | 107.9 | 0 | 0 | 113.6 | S1840 | E1838-S1840 PolarHBondContact O-N 3.44Š| ||
| 1839 | V | 28.8 | Very low | 25.9 | Very low | 131 Ų | 131 | 121.9 Ų | 121.9 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | -68.7 | 110.4 | 164.5 | 173 | 0 | 0 | 0 | 0 | 108.5 | A1841 | V1839-A1841 VanDerWaalsContact C-N 3.27Å; V1839-A1841 HydrophobicContact CG1-CB 4.12Å; V1839-A1841 PolarHBondContact O-N 3.1Å | ||
| 1840 | S | 22.8 | Very low | 25.7 | Very low | 119 Ų | 119 | 122.3 Ų | 122.3 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | -66.9 | 91.2 | 158.9 | -61 | 0 | 0 | 0 | 0 | 108.7 | E1838 H1842 | E1838-S1840 PolarHBondContact O-N 3.44Å; S1840-H1842 PolarHBondContact O-N 3.3Å | ||
| 1841 | A | 25 | Very low | 25.3 | Very low | 80 Ų | 80 | 121 Ų | 121 | 66% | 0.661 | 76% | 0.762 | S | S | * | * | trans | -74.8 | 84.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112 | V1839 | V1839-A1841 VanDerWaalsContact C-N 3.27Å; V1839-A1841 HydrophobicContact CG1-CB 4.12Å; V1839-A1841 PolarHBondContact O-N 3.1Å | ||
| 1842 | H | 23.8 | Very low | 25.3 | Very low | 174 Ų | 174 | 120.6 Ų | 120.6 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | trans | -129.9 | 114.1 | 163.4 | -82.2 | -63.5 | 0 | 0 | 0 | 112.8 | S1840 | S1840-H1842 PolarHBondContact O-N 3.3Š| ||
| 1843 | S | 21.9 | Very low | 24.2 | Very low | 95 Ų | 95 | 123 Ų | 123 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | trans | 44.6 | 87.9 | 156.5 | 56.6 | 0 | 0 | 0 | 0 | 117.2 | S1845 | S1843-S1845 PolarHBondContact O-N 2.99Š| ||
| 1844 | L | 20.5 | Very low | 24.2 | Very low | 188 Ų | 188 | 123.8 Ų | 123.8 | 98% | 0.984 | 77% | 0.766 | S | S | * | * | trans | -54.3 | 114.7 | 130.1 | -79.2 | 166.8 | 0 | 0 | 0 | 107.9 | ||||
| 1845 | S | 24.5 | Very low | 24 | Very low | 98 Ų | 98 | 124.4 Ų | 124.4 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | trans | -145.2 | 133.5 | 164.2 | 73.3 | 0 | 0 | 0 | 0 | 111.2 | S1843 | S1843-S1845 PolarHBondContact O-N 2.99Š| ||
| 1846 | S | 26.2 | Very low | 24.2 | Very low | 130 Ų | 130 | 126.4 Ų | 126.4 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | trans | 61.4 | 149.8 | 161.6 | -150.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1847 | G | 26.7 | Very low | 24.1 | Very low | 62 Ų | 62 | 131.9 Ų | 131.9 | 64% | 0.639 | 78% | 0.775 | S | S | * | * | trans | 86.2 | 102.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1848 | A | 25 | Very low | 23.8 | Very low | 90 Ų | 90 | 126.8 Ų | 126.8 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | cis | 60.6 | 124.9 | 21.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1849 | I | 25.2 | Very low | 23.6 | Very low | 150 Ų | 150 | 129.8 Ų | 129.8 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | cis | -156.5 | -176.7 | 26.9 | -115.7 | 143.4 | 0 | 0 | 0 | 109.8 | ||||
| 1850 | D | 25.8 | Very low | 23.2 | Very low | 132 Ų | 132 | 130 Ų | 130 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | 84.4 | 91.8 | 160.8 | -85.5 | -41.1 | 0 | 0 | 0 | 121.6 | ||||
| 1851 | S | 24.2 | Very low | 23.3 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | 92.4 | 147.9 | 104.6 | -76.3 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 1852 | P | 26.3 | Very low | 23 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | trans | -128 | 163.2 | -135.8 | 39.4 | -23.8 | 0 | 0 | 0 | 116.2 | ||||
| 1853 | T | 21.5 | Very low | 22.8 | Very low | 144 Ų | 144 | 136 Ų | 136 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -70.5 | 123.1 | 170.4 | 49.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1854 | L | 21.1 | Very low | 22.7 | Very low | 158 Ų | 158 | 137.4 Ų | 137.4 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | -146.9 | 95.3 | 168.7 | -134.1 | 155.4 | 0 | 0 | 0 | 110.5 | ||||
| 1855 | G | 23.3 | Very low | 22.8 | Very low | 77 Ų | 77 | 135.4 Ų | 135.4 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | -120.5 | 6.4 | -150.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1856 | N | 23.9 | Very low | 22.6 | Very low | 133 Ų | 133 | 138.6 Ų | 138.6 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | 63.4 | 151.1 | 156.5 | -99.7 | -49.1 | 0 | 0 | 0 | 122.8 | ||||
| 1857 | R | 20.8 | Very low | 22.5 | Very low | 213 Ų | 213 | 139.8 Ų | 139.8 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 65.5 | 90.3 | 144 | -70.4 | 175.7 | -178 | -158.6 | -0.7 | 122.5 | ||||
| 1858 | S | 19.8 | Very low | 22.3 | Very low | 99 Ų | 99 | 143.3 Ų | 143.3 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | 54.5 | 130.9 | 106.8 | 69.4 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 1859 | R | 18.7 | Very low | 22.3 | Very low | 239 Ų | 239 | 144.2 Ų | 144.2 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | trans | 72.5 | 123.6 | 150.5 | -71.3 | -176.1 | 177.3 | 178.5 | -0.3 | 119.5 | ||||
| 1860 | T | 21.1 | Very low | 22.2 | Very low | 135 Ų | 135 | 143.9 Ų | 143.9 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | trans | -64.2 | 140.2 | 157.1 | 43.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1861 | M | 23.1 | Very low | 22.1 | Very low | 171 Ų | 171 | 141.5 Ų | 141.5 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | trans | -147.3 | 150.7 | 161.9 | -99.5 | -60.4 | 157.9 | 0 | 0 | 112.3 | ||||
| 1862 | L | 20.6 | Very low | 22.1 | Very low | 142 Ų | 142 | 144.7 Ų | 144.7 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -45.2 | 137.5 | 178.5 | -56.8 | 159.2 | 0 | 0 | 0 | 112.8 | ||||
| 1863 | Q | 18.7 | Very low | 21.9 | Very low | 186 Ų | 186 | 142.7 Ų | 142.7 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | 42.2 | 91 | 79.1 | -89.2 | -166.7 | -10 | 0 | 0 | 114.7 | |||||
| 1864 | S | 20.1 | Very low | 22 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | trans | -160.3 | 145.9 | 149.1 | -174.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1865 | Q | 21.4 | Very low | 22.2 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | trans | -67.7 | 163.5 | -177.1 | -57.5 | 177.5 | -10 | 0 | 0 | 116.1 | ||||
| 1866 | K | 20.3 | Very low | 22.2 | Very low | 166 Ų | 166 | 141.9 Ų | 141.9 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | 83.9 | 147.5 | 140.8 | -81.2 | 157.6 | 179.7 | 159.4 | 0 | 121.7 | ||||
| 1867 | H | 25.8 | Very low | 22.1 | Very low | 154 Ų | 154 | 143.8 Ų | 143.8 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | 81.6 | 112.8 | 158 | -71 | -58.3 | 0 | 0 | 0 | 122.2 | ||||
| 1868 | N | 22.8 | Very low | 22.3 | Very low | 137 Ų | 137 | 138 Ų | 138 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | 64.6 | 140.8 | 125 | -59.5 | 12.4 | 0 | 0 | 0 | 122.8 | |||||
| 1869 | S | 23.7 | Very low | 22.4 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | 89.8 | 112.7 | 142.9 | 69.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1870 | V | 24.1 | Very low | 22.5 | Very low | 143 Ų | 143 | 133 Ų | 133 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | 73.4 | 134 | 127 | 177.3 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1871 | A | 24.1 | Very low | 22.5 | Very low | 82 Ų | 82 | 132.2 Ų | 132.2 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | 80.4 | 104.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1872 | N | 24.2 | Very low | 22.2 | Very low | 171 Ų | 171 | 129 Ų | 129 | 91% | 0.914 | 77% | 0.769 | S | S | * | * | trans | 56.5 | 123.4 | 141 | -59.3 | -5.7 | 0 | 0 | 0 | 120.9 | ||||
| 1873 | G | 20.9 | Very low | 22.2 | Very low | 69 Ų | 69 | 133 Ų | 133 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | 109.6 | 58.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1874 | S | 24.1 | Very low | 22.2 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | 69.2 | 127.6 | 72.2 | 81.5 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1875 | S | 24.5 | Very low | 22.2 | Very low | 101 Ų | 101 | 129.7 Ų | 129.7 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | 60.5 | 94.4 | 167 | 58.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1876 | N | 24.6 | Very low | 22.2 | Very low | 150 Ų | 150 | 128 Ų | 128 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | 62.8 | 100.5 | 122.1 | -54.7 | -0.2 | 0 | 0 | 0 | 119.7 | |||||
| 1877 | I | 20.9 | Very low | 22.1 | Very low | 173 Ų | 173 | 125.6 Ų | 125.6 | 89% | 0.887 | 77% | 0.767 | S | S | * | * | trans | -95.9 | 119.1 | 136.9 | -61.2 | 173.1 | 0 | 0 | 0 | 107.6 | ||||
| 1878 | P | 24.6 | Very low | 21.8 | Very low | 91 Ų | 91 | 124.5 Ų | 124.5 | 59% | 0.591 | 78% | 0.777 | S | S | * | * | trans | -110.7 | 149.8 | 150.3 | 35.4 | -25.9 | 0 | 0 | 0 | 110.8 | ||||
| 1879 | D | 22.3 | Very low | 21.7 | Very low | 149 Ų | 149 | 121.1 Ų | 121.1 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | 36.8 | 116.4 | 152.8 | -52.5 | -37.8 | 0 | 0 | 0 | 120.4 | T1881 | D1879-T1881 PolarHBondContact O-N 3.33Å; D1879-T1881 VanDerWaalsContact O-N 3.13Å | ||
| 1880 | G | 21.3 | Very low | 21.5 | Very low | 85 Ų | 85 | 123.6 Ų | 123.6 | 88% | 0.876 | 78% | 0.78 | S | S | * | * | trans | -72.7 | 101.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1881 | T | 19.8 | Very low | 21.3 | Very low | 118 Ų | 118 | 125.7 Ų | 125.7 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | trans | -143.6 | 124.4 | 148 | 14.4 | 0 | 0 | 0 | 0 | 111.8 | D1879 | D1879-T1881 PolarHBondContact O-N 3.33Å; D1879-T1881 VanDerWaalsContact O-N 3.13Å | ||
| 1882 | S | 18.3 | Very low | 21.1 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | 45.3 | 83.1 | 155.1 | 57.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 1883 | Y | 19.3 | Very low | 21 | Very low | 226 Ų | 226 | 127.8 Ų | 127.8 | 89% | 0.886 | 78% | 0.778 | S | S | * | * | -97.8 | 108.5 | 129.7 | -73 | -85.4 | 0 | 0 | 0 | 106.4 | |||||
| 1884 | S | 19.8 | Very low | 20.9 | Very low | 84 Ų | 84 | 129.9 Ų | 129.9 | 59% | 0.587 | 78% | 0.782 | S | S | * | * | 63.3 | 43.7 | 58.7 | 92.8 | 0 | 0 | 0 | 0 | 113.1 | S1886 | S1884-S1886 PolarHBondContact O-N 3.11Š| |||
| 1885 | N | 20.5 | Very low | 20.8 | Very low | 155 Ų | 155 | 129.8 Ų | 129.8 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | trans | -72.3 | 95.9 | 168.9 | -161.8 | 20.1 | 0 | 0 | 0 | 109.7 | C1887 | N1885-C1887 PolarHBondContact O-N 3.42Š| ||
| 1886 | S | 19.9 | Very low | 20.5 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -71.9 | 103.5 | -174.7 | -63.5 | 0 | 0 | 0 | 0 | 112.1 | S1884 | S1884-S1886 PolarHBondContact O-N 3.11Š| ||
| 1887 | C | 18.7 | Very low | 20.4 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | trans | -119.3 | 109.1 | 159.4 | -71.7 | 0 | 0 | 0 | 0 | 109.6 | N1885 G1889 | N1885-C1887 PolarHBondContact O-N 3.42Å; C1887-G1889 PolarHBondContact O-N 3.3Å | ||
| 1888 | S | 19.6 | Very low | 20.4 | Very low | 131 Ų | 131 | 127.8 Ų | 127.8 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | trans | -65.1 | 119.4 | 175.3 | 38.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 1889 | G | 20.6 | Very low | 20.2 | Very low | 66 Ų | 66 | 127.7 Ų | 127.7 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | trans | -147.8 | 102.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | C1887 Q1891 | C1887-G1889 PolarHBondContact O-N 3.3Å; G1889-Q1891 PolarHBondContact O-N 3.41Å | ||
| 1890 | N | 19.3 | Very low | 20.3 | Very low | 161 Ų | 161 | 126.6 Ų | 126.6 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | trans | -42 | 114.4 | -171.3 | -67.4 | -19.4 | 0 | 0 | 0 | 114.8 | ||||
| 1891 | Q | 21.1 | Very low | 20.6 | Very low | 186 Ų | 186 | 126.3 Ų | 126.3 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | trans | -97.1 | 109.5 | 152 | -73 | -165.5 | 1.5 | 0 | 0 | 109.1 | G1889 N1893 | G1889-Q1891 PolarHBondContact O-N 3.41Å; Q1891-N1893 PolarHBondContact O-N 3.01Å | ||
| 1892 | I | 19.5 | Very low | 21.4 | Very low | 158 Ų | 158 | 126.1 Ų | 126.1 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | trans | -86.3 | 99.2 | 162.8 | -63.7 | 178.5 | 0 | 0 | 0 | 107.2 | S1894 | I1892-S1894 PolarHBondContact O-N 3.27Š| ||
| 1893 | N | 21.1 | Very low | 22.7 | Very low | 140 Ų | 140 | 125.2 Ų | 125.2 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | trans | 13.9 | 75.5 | 161.2 | -65.1 | -14.1 | 0 | 0 | 0 | 117.5 | Q1891 V1895 | Q1891-N1893 PolarHBondContact O-N 3.01Å; N1893-V1895 HydrophobicContact CB-CG2 4.18Å; N1893-V1895 PolarHBondContact O-N 2.95Å | ||
| 1894 | S | 20 | Very low | 24.6 | Very low | 113 Ų | 113 | 120.9 Ų | 120.9 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | trans | -73 | 99.7 | 147.2 | -175.7 | 0 | 0 | 0 | 0 | 107.2 | I1892 C1896 | I1892-S1894 PolarHBondContact O-N 3.27Å; S1894-C1896 VanDerWaalsContact C-N 3.32Å; S1894-C1896 PolarHBondContact O-N 3.17Å | ||
| 1895 | V | 20.5 | Very low | 27 | Very low | 108 Ų | 108 | 117 Ų | 117 | 66% | 0.655 | 72% | 0.718 | S | S | * | * | trans | -73.5 | 86.9 | -175.4 | -177.5 | 0 | 0 | 0 | 0 | 109.8 | N1893 C1897 | N1893-V1895 HydrophobicContact CB-CG2 4.18Å; N1893-V1895 PolarHBondContact O-N 2.95Å; V1895-C1897 VanDerWaalsContact C-N 3.35Å; V1895-C1897 PolarHBondContact O-N 2.82Å; V1895-C1897 PolarHBondContact O-SG 3.16Å; V1895-C1897 VanDerWaalsContact O-SG 3.35Å | ||
| 1896 | C | 19.7 | Very low | 29.8 | Very low | 111 Ų | 111 | 112 Ų | 112 | 75% | 0.75 | 70% | 0.695 | S | S | * | * | trans | -59.1 | 102.2 | 155.1 | -81.7 | 0 | 0 | 0 | 0 | 107.9 | S1894 N1898 | S1894-C1896 VanDerWaalsContact C-N 3.32Å; S1894-C1896 PolarHBondContact O-N 3.17Å; C1896-N1898 VanDerWaalsContact C-N 3.26Å; C1896-N1898 PolarHBondContact O-N 2.89Å | ||
| 1897 | C | 21.3 | Very low | 32.8 | Very low | 108 Ų | 108 | 106.7 Ų | 106.7 | 73% | 0.73 | 66% | 0.658 | S | S | * | * | trans | -74.6 | 83.2 | 178.4 | -5 | 0 | 0 | 0 | 0 | 108.7 | V1895 S1899 | V1895-C1897 VanDerWaalsContact C-N 3.35Å; V1895-C1897 PolarHBondContact O-N 2.82Å; V1895-C1897 PolarHBondContact O-SG 3.16Å; V1895-C1897 VanDerWaalsContact O-SG 3.35Å; C1897-S1899 PolarHBondContact O-N 3.48Å | ||
| 1898 | N | 20.2 | Very low | 35.8 | Very low | 163 Ų | 163 | 103.7 Ų | 103.7 | 87% | 0.872 | 64% | 0.641 | S | S | * | * | trans | -64.4 | 76.2 | 160.8 | -87.3 | -2.6 | 0 | 0 | 0 | 109 | C1896 | C1896-N1898 VanDerWaalsContact C-N 3.26Å; C1896-N1898 PolarHBondContact O-N 2.89Å | ||
| 1899 | S | 21.8 | Very low | 38.7 | Very low | 88 Ų | 88 | 101.7 Ų | 101.7 | 62% | 0.615 | 63% | 0.625 | S | S | * | * | trans | -107.6 | 87.8 | 175.6 | -161.9 | 0 | 0 | 0 | 0 | 109.5 | C1897 G1901 | C1897-S1899 PolarHBondContact O-N 3.48Å; S1899-G1901 PolarHBondContact O-N 3.29Å | ||
| 1900 | T | 23.1 | Very low | 41.8 | Very low | 126 Ų | 126 | 100.1 Ų | 100.1 | 77% | 0.773 | 60% | 0.6 | S | S | * | * | trans | 39.8 | 77 | 140 | 60.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1901 | G | 29.2 | Very low | 45 | Very low | 79 Ų | 79 | 92.5 Ų | 92.5 | 81% | 0.814 | 56% | 0.559 | S | S | * | * | trans | 54.2 | 63.2 | 147 | 0 | 0 | 0 | 0 | 0 | 118.6 | S1899 | S1899-G1901 PolarHBondContact O-N 3.29Š| ||
| 1902 | D | 35.6 | Very low | 47.9 | Very low | 114 Ų | 114 | 85.7 Ų | 85.7 | 61% | 0.61 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -71.5 | 125.3 | 157 | -90.3 | 0 | 0 | 0 | 0 | 109.3 | R1608 | R1608-D1902 IonicContact CZ-OD1 3.74Å; R1608-D1902 IonicContact CZ-OD2 2.69Å; R1608-D1902 IonicContact NH1-OD1 3.14Å; R1608-D1902 IonicContact NH2-OD1 3.03Å; R1608-D1902 PolarHBondContact NH2-OD1 2.94Å; R1608-D1902 IonicContact NH2-OD2 3.92Å; R1608-D1902 PolarHBondContact NH2-OD2 3Å |
| 1903 | C | 46.3 | Very low | 51.1 | Low | 87 Ų | 87 | 84.5 Ų | 84.5 | 59% | 0.588 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -89.1 | 122.3 | -174.5 | -164.5 | 0 | 0 | 0 | 0 | 111.8 | ||
| 1904 | F | 59 | Low | 54.3 | Low | 135 Ų | 135 | 77.9 Ų | 77.9 | 59% | 0.592 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -76 | 135.1 | 173.5 | -70.4 | -70.1 | 0 | 0 | 0 | 111.4 | A1772 S1906 | A1772-F1904 HydrophobicContact CB-CD2 4.5Å; F1904-S1906 PolarHBondContact O-N 3.1Å |
| 1905 | A | 70.7 | Confident | 57.5 | Low | 3 Ų | 3 | 72.8 Ų | 72.8 | 3% | 0.025 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 122.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1707 D1708 D1709 L1712 N1769 | L1707-A1905 HydrophobicContact CB-CB 4.11Å; L1707-A1905 WeakPolarHBondContact O-CB 3.44Å; L1707-A1905 PolarHBondContact O-N 2.87Å; D1708-A1905 VanDerWaalsContact C-CB 3.46Å; D1708-A1905 WeakPolarHBondContact O-CB 3.47Å; D1709-A1905 WeakPolarHBondContact OD1-CA 3.06Å; L1712-A1905 HydrophobicContact CB-CB 3.71Å; L1712-A1905 HydrophobicContact CD2-CB 3.66Å; L1712-A1905 HydrophobicContact CG-CB 4.3Å; N1769-A1905 PolarHBondContact ND2-O 2.84Å; N1769-A1905 PolarHBondContact OD1-O 2.89Å |
| 1906 | S | 77.7 | Confident | 60.5 | Low | 48 Ų | 48 | 70.4 Ų | 70.4 | 34% | 0.336 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -80 | 119.9 | 176.8 | -176.6 | 0 | 0 | 0 | 0 | 111.2 | D1709 F1904 P1909 | D1709-S1906 PolarHBondContact OD1-N 3.37Å; F1904-S1906 PolarHBondContact O-N 3.1Å; S1906-P1909 WeakPolarHBondContact O-CD 3.47Å |
| 1907 | L | 83.5 | Confident | 63.8 | Low | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.005 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -80.2 | -24.6 | -177.7 | -165.4 | 56.7 | 0 | 0 | 0 | 113.3 | L1712 L1765 A1766 N1769 H1910 T1911 L1914 L1947 | L1712-L1907 HydrophobicContact CD2-CD1 4.16Å; L1765-L1907 HydrophobicContact CD2-CD1 3.97Å; A1766-L1907 HydrophobicContact CB-CD2 3.96Å; N1769-L1907 PolarHBondContact OD1-N 2.8Å; L1907-H1910 PolarHBondContact O-N 3.18Å; L1907-T1911 PolarHBondContact O-N 3.31Å; L1907-T1911 VanDerWaalsContact O-N 3.14Å; L1907-T1911 PolarHBondContact O-OG1 3.14Å; L1907-L1914 HydrophobicContact CD1-CD1 4.2Å; L1907-L1947 HydrophobicContact CD2-CD2 3.72Å; L1907-L1947 HydrophobicContact CG-CD2 4.19Å |
| 1908 | A | 81.2 | Confident | 67 | Low | 52 Ų | 52 | 60.1 Ų | 60.1 | 43% | 0.43 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -45.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | H1910 T1911 | A1908-H1910 PolarHBondContact O-N 2.87Å; A1908-H1910 VanDerWaalsContact O-N 3.09Å; A1908-T1911 PolarHBondContact O-OG1 3.48Å |
| 1909 | P | 82.1 | Confident | 70 | Confident | 88 Ų | 88 | 53.9 Ų | 53.9 | 57% | 0.571 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -5.5 | 178.1 | 28.1 | -37.1 | 0 | 0 | 0 | 114.1 | S1906 | S1906-P1909 WeakPolarHBondContact O-CD 3.47Š|
| 1910 | H | 84.4 | Confident | 72.9 | Confident | 33 Ų | 33 | 53 Ų | 53 | 15% | 0.153 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | -17.4 | -173.2 | -61 | -26.4 | 0 | 0 | 0 | 113.8 | I1716 L1907 A1908 G1912 K1913 L1914 | I1716-H1910 HydrophobicContact CD1-CB 3.65Å; I1716-H1910 HydrophobicContact CG1-CB 3.86Å; I1716-H1910 VanDerWaalsContact CG1-CD2 3.45Å; I1716-H1910 WeakPolarHBondContact CG1-CD2 3.39Å; I1716-H1910 HydrophobicContact CG2-CB 4.46Å; L1907-H1910 PolarHBondContact O-N 3.18Å; A1908-H1910 PolarHBondContact O-N 2.87Å; A1908-H1910 VanDerWaalsContact O-N 3.09Å; H1910-G1912 VanDerWaalsContact C-N 3.27Å; H1910-G1912 PolarHBondContact O-N 3.12Å; H1910-G1912 VanDerWaalsContact O-N 3.12Å; H1910-K1913 PolarHBondContact O-N 2.8Å; H1910-K1913 VanDerWaalsContact O-N 3.08Å; H1910-L1914 PolarHBondContact O-N 3.3Å |
| 1911 | T | 86.8 | Confident | 75.7 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.012 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -43.1 | -48 | 178.7 | -46.2 | 0 | 0 | 0 | 0 | 113.6 | L1907 A1908 K1913 L1914 L1915 L1947 F1950 A1951 | L1907-T1911 PolarHBondContact O-N 3.31Å; L1907-T1911 VanDerWaalsContact O-N 3.14Å; L1907-T1911 PolarHBondContact O-OG1 3.14Å; A1908-T1911 PolarHBondContact O-OG1 3.48Å; T1911-K1913 VanDerWaalsContact C-N 3.34Å; T1911-K1913 PolarHBondContact O-N 3.46Å; T1911-L1914 PolarHBondContact O-N 2.9Å; T1911-L1915 HydrophobicContact CG2-CD1 3.87Å; T1911-L1915 HydrophobicContact CG2-CG 4.21Å; T1911-L1915 WeakPolarHBondContact O-CG 3.38Å; T1911-L1915 PolarHBondContact O-N 2.63Å; T1911-L1947 HydrophobicContact CG2-CB 4.12Å; T1911-L1947 HydrophobicContact CG2-CD2 4.34Å; T1911-L1947 WeakPolarHBondContact CG2-O 3.06Å; T1911-F1950 WeakPolarHBondContact CB-O 3.28Å; T1911-F1950 HydrophobicContact CG2-CB 4.19Å; T1911-F1950 WeakPolarHBondContact OG1-CB 3.43Å; T1911-F1950 PolarHBondContact OG1-O 2.84Å; T1911-A1951 HydrophobicContact CG2-CB 4.08Å |
| 1912 | G | 82.8 | Confident | 78.4 | Confident | 42 Ų | 42 | 43.4 Ų | 43.4 | 43% | 0.433 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.2 | -35.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | H1910 A1916 | H1910-G1912 VanDerWaalsContact C-N 3.27Å; H1910-G1912 PolarHBondContact O-N 3.12Å; H1910-G1912 VanDerWaalsContact O-N 3.12Å; G1912-A1916 WeakPolarHBondContact O-CB 3.26Å; G1912-A1916 PolarHBondContact O-N 3.1Å; G1912-A1916 VanDerWaalsContact O-N 3.11Å |
| 1913 | K | 85.3 | Confident | 80.2 | Confident | 133 Ų | 133 | 39.6 Ų | 39.6 | 58% | 0.578 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -70.4 | -39.7 | 177.1 | -66.4 | -176.1 | 178.4 | -178.7 | 0 | 111.3 | I1716 T1720 H1910 T1911 A1917 | I1716-K1913 HydrophobicContact CG2-CB 4.24Å; I1716-K1913 HydrophobicContact CG2-CD 4.17Å; T1720-K1913 HydrophobicContact CG2-CB 4.22Å; T1720-K1913 WeakPolarHBondContact CG2-O 3.19Å; H1910-K1913 PolarHBondContact O-N 2.8Å; H1910-K1913 VanDerWaalsContact O-N 3.08Å; T1911-K1913 VanDerWaalsContact C-N 3.34Å; T1911-K1913 PolarHBondContact O-N 3.46Å; K1913-A1917 PolarHBondContact O-N 3.39Å; K1913-A1917 VanDerWaalsContact O-N 3.17Å |
| 1914 | L | 89.8 | Confident | 81.3 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.1 | -42.2 | 177.9 | -62.5 | 174.3 | 0 | 0 | 0 | 111.9 | F1719 T1720 L1723 I1762 L1907 H1910 T1911 A1917 L1918 L1947 | F1719-L1914 HydrophobicContact CB-CD2 3.89Å; T1720-L1914 HydrophobicContact CG2-CD2 4.1Å; L1723-L1914 HydrophobicContact CD1-CD2 4.32Å; I1762-L1914 HydrophobicContact CD1-CD2 4.29Å; I1762-L1914 HydrophobicContact CG2-CD1 4.46Å; L1907-L1914 HydrophobicContact CD1-CD1 4.2Å; H1910-L1914 PolarHBondContact O-N 3.3Å; T1911-L1914 PolarHBondContact O-N 2.9Å; L1914-A1917 PolarHBondContact O-N 2.89Å; L1914-L1918 WeakPolarHBondContact O-CG 3.49Å; L1914-L1918 PolarHBondContact O-N 3.49Å; L1914-L1947 HydrophobicContact CB-CD1 3.73Å; L1914-L1947 HydrophobicContact CD1-CD1 4.36Å; L1914-L1947 HydrophobicContact CD1-CD2 4.17Å |
| 1915 | L | 87.5 | Confident | 81.6 | Confident | 6 Ų | 6 | 30.7 Ų | 30.7 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.1 | -42 | 174.6 | -74 | 176 | 0 | 0 | 0 | 112.1 | T1911 A1917 L1918 L1919 L1944 L1947 L1948 A1951 L1959 | T1911-L1915 HydrophobicContact CG2-CD1 3.87Å; T1911-L1915 HydrophobicContact CG2-CG 4.21Å; T1911-L1915 WeakPolarHBondContact O-CG 3.38Å; T1911-L1915 PolarHBondContact O-N 2.63Å; L1915-A1917 VanDerWaalsContact C-N 3.35Å; L1915-A1917 PolarHBondContact O-N 3.35Å; L1915-L1918 PolarHBondContact O-N 3.35Å; L1915-L1919 WeakPolarHBondContact O-CB 3.38Å; L1915-L1919 WeakPolarHBondContact O-CG 3.39Å; L1915-L1919 PolarHBondContact O-N 3.27Å; L1915-L1944 HydrophobicContact CD2-CG 4.14Å; L1915-L1947 HydrophobicContact CD2-CB 3.93Å; L1915-L1947 HydrophobicContact CD2-CD1 4.44Å; L1915-L1947 HydrophobicContact CG-CB 4.33Å; L1915-L1948 HydrophobicContact CD1-CD2 4.23Å; L1915-L1948 HydrophobicContact CD2-CD2 4.5Å; L1915-A1951 HydrophobicContact CD1-CB 3.78Å; L1915-L1959 HydrophobicContact CD2-CD1 4.36Å |
| 1916 | A | 83.6 | Confident | 81 | Confident | 59 Ų | 59 | 31.1 Ų | 31.1 | 49% | 0.488 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61 | -41.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G1912 S1920 | G1912-A1916 WeakPolarHBondContact O-CB 3.26Å; G1912-A1916 PolarHBondContact O-N 3.1Å; G1912-A1916 VanDerWaalsContact O-N 3.11Å; A1916-S1920 PolarHBondContact O-N 2.84Å; A1916-S1920 VanDerWaalsContact O-N 3.11Å |
| 1917 | A | 87.4 | Confident | 79.7 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 3% | 0.025 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.8 | -47.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | T1720 L1723 K1913 L1914 L1915 L1919 S1920 A1921 | T1720-A1917 HydrophobicContact CG2-CB 3.96Å; L1723-A1917 HydrophobicContact CB-CB 4.22Å; K1913-A1917 PolarHBondContact O-N 3.39Å; K1913-A1917 VanDerWaalsContact O-N 3.17Å; L1914-A1917 PolarHBondContact O-N 2.89Å; L1915-A1917 VanDerWaalsContact C-N 3.35Å; L1915-A1917 PolarHBondContact O-N 3.35Å; A1917-L1919 PolarHBondContact O-N 3.47Å; A1917-S1920 PolarHBondContact O-N 2.83Å; A1917-S1920 VanDerWaalsContact O-N 3.13Å; A1917-S1920 PolarHBondContact O-OG 3.23Å; A1917-A1921 PolarHBondContact O-N 3.37Å; A1917-A1921 VanDerWaalsContact O-N 3.14Å |
| 1918 | L | 89 | Confident | 77.9 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60 | -44.4 | 177.5 | -71.8 | 165.2 | 0 | 0 | 0 | 112.3 | L1723 L1914 L1915 S1920 A1921 L1922 M1940 T1943 L1944 L1947 | L1723-L1918 HydrophobicContact CD1-CD2 4.22Å; L1723-L1918 HydrophobicContact CD1-CG 4.2Å; L1723-L1918 HydrophobicContact CD2-CD2 3.88Å; L1914-L1918 WeakPolarHBondContact O-CG 3.49Å; L1914-L1918 PolarHBondContact O-N 3.49Å; L1915-L1918 PolarHBondContact O-N 3.35Å; L1918-S1920 VanDerWaalsContact C-N 3.27Å; L1918-S1920 PolarHBondContact O-N 3.27Å; L1918-A1921 PolarHBondContact O-N 3.38Å; L1918-A1921 VanDerWaalsContact O-N 3.15Å; L1918-L1922 WeakPolarHBondContact O-CG 3.31Å; L1918-L1922 PolarHBondContact O-N 2.99Å; L1918-M1940 HydrophobicContact CD2-CB 3.93Å; L1918-M1940 HydrophobicContact CD2-CG 3.83Å; L1918-T1943 HydrophobicContact CD1-CG2 4.05Å; L1918-L1944 HydrophobicContact CD1-CB 4.13Å; L1918-L1947 HydrophobicContact CD1-CD1 3.69Å |
| 1919 | L | 83.7 | Confident | 76.1 | Confident | 31 Ų | 31 | 46.9 Ų | 46.9 | 16% | 0.162 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.2 | -30.5 | 175.6 | -74.5 | 177.6 | 0 | 0 | 0 | 113.1 | L1915 A1917 L1944 L1959 R1962 W1966 | L1915-L1919 WeakPolarHBondContact O-CB 3.38Å; L1915-L1919 WeakPolarHBondContact O-CG 3.39Å; L1915-L1919 PolarHBondContact O-N 3.27Å; A1917-L1919 PolarHBondContact O-N 3.47Å; L1919-L1944 HydrophobicContact CD2-CD1 4.27Å; L1919-L1959 HydrophobicContact CD1-CB 4.32Å; L1919-L1959 HydrophobicContact CD1-CD1 4.18Å; L1919-L1959 HydrophobicContact CD1-CG 4.43Å; L1919-L1959 HydrophobicContact CD2-CD1 3.96Å; L1919-L1959 HydrophobicContact CD2-CG 4.07Å; L1919-L1959 HydrophobicContact CG-CD1 4.23Å; L1919-R1962 HydrophobicContact CD2-CB 4.49Å; L1919-R1962 HydrophobicContact CD2-CG 4.41Å; L1919-W1966 HydrophobicContact CD2-CH2 3.7Å; L1919-W1966 HydrophobicContact CD2-CZ2 4.12Å; L1919-W1966 WeakPolarHBondContact O-CZ2 3.32Å |
| 1920 | S | 81.8 | Confident | 74.4 | Confident | 71 Ų | 71 | 48.7 Ų | 48.7 | 50% | 0.497 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -74.4 | -28.4 | 174.3 | 73.2 | 0 | 0 | 0 | 0 | 113.3 | A1916 A1917 L1918 | A1916-S1920 PolarHBondContact O-N 2.84Å; A1916-S1920 VanDerWaalsContact O-N 3.11Å; A1917-S1920 PolarHBondContact O-N 2.83Å; A1917-S1920 VanDerWaalsContact O-N 3.13Å; A1917-S1920 PolarHBondContact O-OG 3.23Å; L1918-S1920 VanDerWaalsContact C-N 3.27Å; L1918-S1920 PolarHBondContact O-N 3.27Å |
| 1921 | A | 82.8 | Confident | 73.2 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 2% | 0.017 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -93.4 | -35.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1723 A1917 L1918 G1924 A1925 M1940 | L1723-A1921 VanDerWaalsContact O-CB 3.3Å; L1723-A1921 WeakPolarHBondContact O-CB 3.32Å; A1917-A1921 PolarHBondContact O-N 3.37Å; A1917-A1921 VanDerWaalsContact O-N 3.14Å; L1918-A1921 PolarHBondContact O-N 3.38Å; L1918-A1921 VanDerWaalsContact O-N 3.15Å; A1921-G1924 PolarHBondContact O-N 3.26Å; A1921-A1925 PolarHBondContact O-N 3.18Å; A1921-A1925 VanDerWaalsContact O-N 3.11Å; A1921-M1940 HydrophobicContact CB-CE 3.66Å; A1921-M1940 HydrophobicContact CB-SD 3.94Å |
| 1922 | L | 84.9 | Confident | 72 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -40.9 | -170.8 | -90.6 | 162.4 | 0 | 0 | 0 | 115.9 | L1918 Q1937 M1940 L1944 W1966 V1997 | L1918-L1922 WeakPolarHBondContact O-CG 3.31Å; L1918-L1922 PolarHBondContact O-N 2.99Å; L1922-Q1937 HydrophobicContact CD2-CG 3.99Å; L1922-Q1937 PolarHBondContact O-NE2 3.04Å; L1922-M1940 HydrophobicContact CD2-CB 3.57Å; L1922-M1940 HydrophobicContact CG-CB 3.98Å; L1922-M1940 HydrophobicContact CG-SD 4.45Å; L1922-L1944 HydrophobicContact CD1-CD1 3.47Å; L1922-L1944 VanDerWaalsContact CD1-CD1 3.47Å; L1922-W1966 HydrophobicContact CB-CH2 3.81Å; L1922-W1966 HydrophobicContact CB-CZ3 4.16Å; L1922-W1966 HydrophobicContact CD1-CH2 4.1Å; L1922-W1966 HydrophobicContact CD1-CZ3 4.35Å; L1922-V1997 HydrophobicContact CD1-CG2 3.8Å; L1922-V1997 HydrophobicContact CD2-CG2 4.42Å |
| 1923 | P | 74.1 | Confident | 71.4 | Confident | 35 Ų | 35 | 49.8 Ų | 49.8 | 23% | 0.227 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -26.5 | 176.1 | -20.2 | 34.7 | 0 | 0 | 0 | 114 | W1966 I1989 | P1923-W1966 HydrophobicContact CG-CD2 4.02Å; P1923-W1966 VanDerWaalsContact CG-CE2 3.47Å; P1923-W1966 HydrophobicContact CG-CG 4.46Å; P1923-W1966 HydrophobicContact CG-CH2 4.26Å; P1923-W1966 HydrophobicContact CG-CZ2 3.62Å; P1923-I1989 WeakPolarHBondContact O-CG2 3.18Å |
| 1924 | G | 70.2 | Confident | 71 | Confident | 25 Ų | 25 | 46.7 Ų | 46.7 | 26% | 0.258 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -22.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | G1727 A1921 C1926 | G1727-G1924 CarbonylContact O-C 3.58Å; G1727-G1924 VanDerWaalsContact O-CA 3.25Å; G1727-G1924 WeakPolarHBondContact O-CA 3.38Å; A1921-G1924 PolarHBondContact O-N 3.26Å; G1924-C1926 PolarHBondContact O-N 2.86Å |
| 1925 | A | 64.2 | Low | 70.6 | Confident | 10 Ų | 10 | 47.7 Ų | 47.7 | 8% | 0.083 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -62 | -9.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116 | A1921 G1933 I1936 Q1937 M1940 | A1921-A1925 PolarHBondContact O-N 3.18Å; A1921-A1925 VanDerWaalsContact O-N 3.11Å; A1925-G1933 VanDerWaalsContact O-CA 3.31Å; A1925-G1933 WeakPolarHBondContact O-CA 3.13Å; A1925-I1936 HydrophobicContact CB-CG2 4.17Å; A1925-Q1937 HydrophobicContact CB-CB 4.39Å; A1925-M1940 HydrophobicContact CB-SD 4.19Å |
| 1926 | C | 58.5 | Low | 70.5 | Confident | 12 Ų | 12 | 47.5 Ų | 47.5 | 8% | 0.081 | 27% | 0.274 | C | S | . | . | trans | -133.5 | 65.2 | -173.1 | -141.7 | 0 | 0 | 0 | 0 | 113 | G1924 H1928 G1933 I1989 | G1924-C1926 PolarHBondContact O-N 2.86Å; C1926-H1928 VanDerWaalsContact C-N 3.32Å; C1926-H1928 PolarHBondContact O-N 3.32Å; C1926-G1933 PolarHBondContact SG-O 3.22Å; C1926-G1933 VanDerWaalsContact SG-O 3.38Å; C1926-I1989 HydrophobicContact CB-CG2 3.85Å; C1926-I1989 WeakPolarHBondContact O-CD1 3.44Å; C1926-I1989 VanDerWaalsContact O-CG1 3.23Å; C1926-I1989 WeakPolarHBondContact O-CG1 3.34Å; C1926-I1989 WeakPolarHBondContact O-CG2 3.45Å | ||
| 1927 | R | 49.8 | Very low | 70.6 | Confident | 186 Ų | 186 | 44.7 Ų | 44.7 | 70% | 0.702 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -75.5 | -11.3 | 178 | -66.2 | -164.1 | -172.1 | -147.8 | 5.7 | 115.6 | ||
| 1928 | H | 46.1 | Very low | 70.6 | Confident | 143 Ų | 143 | 47.2 Ų | 47.2 | 66% | 0.662 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -143.4 | 146.3 | 170.7 | -101.8 | -77.4 | 0 | 0 | 0 | 109 | C1926 N1930 | C1926-H1928 VanDerWaalsContact C-N 3.32Å; C1926-H1928 PolarHBondContact O-N 3.32Å; H1928-N1930 PolarHBondContact O-N 2.87Å |
| 1929 | P | 43.2 | Very low | 70.6 | Confident | 102 Ų | 102 | 47.5 Ų | 47.5 | 66% | 0.662 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -70.6 | -9.3 | 179.4 | 28 | -35.1 | 0 | 0 | 0 | 114.5 | S1931 | P1929-S1931 PolarHBondContact O-N 3.47Š|
| 1930 | N | 46.8 | Very low | 70.9 | Confident | 127 Ų | 127 | 46 Ų | 46 | 68% | 0.679 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -70.6 | 98.5 | -176.8 | -69.1 | -1.1 | 0 | 0 | 0 | 112.3 | H1928 A1932 | H1928-N1930 PolarHBondContact O-N 2.87Å; N1930-A1932 VanDerWaalsContact C-N 3.34Å; N1930-A1932 PolarHBondContact O-N 3.16Å |
| 1931 | S | 59.8 | Low | 71.3 | Confident | 64 Ų | 64 | 42.7 Ų | 42.7 | 45% | 0.448 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | -65 | 166.5 | 71.5 | 0 | 0 | 0 | 0 | 118.9 | H1626 P1929 G1933 K1934 V1935 | H1626-S1931 PolarHBondContact NE2-OG 3.49Å; P1929-S1931 PolarHBondContact O-N 3.47Å; S1931-G1933 PolarHBondContact O-N 3.32Å; S1931-K1934 PolarHBondContact O-N 3.23Å; S1931-V1935 PolarHBondContact O-N 3.04Å |
| 1932 | A | 61.2 | Low | 71.7 | Confident | 22 Ų | 22 | 45 Ų | 45 | 18% | 0.182 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.8 | -49.4 | -166.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P1627 N1930 K1934 V1935 I1936 | P1627-A1932 HydrophobicContact CG-CB 4.41Å; N1930-A1932 VanDerWaalsContact C-N 3.34Å; N1930-A1932 PolarHBondContact O-N 3.16Å; A1932-K1934 VanDerWaalsContact C-N 3.27Å; A1932-K1934 PolarHBondContact O-N 2.9Å; A1932-V1935 PolarHBondContact O-N 3.14Å; A1932-I1936 PolarHBondContact O-N 2.85Å |
| 1933 | G | 70.1 | Confident | 72.1 | Confident | 13 Ų | 13 | 45 Ų | 45 | 13% | 0.134 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.6 | -29.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1925 C1926 S1931 I1936 Q1937 | A1925-G1933 VanDerWaalsContact O-CA 3.31Å; A1925-G1933 WeakPolarHBondContact O-CA 3.13Å; C1926-G1933 PolarHBondContact SG-O 3.22Å; C1926-G1933 VanDerWaalsContact SG-O 3.38Å; S1931-G1933 PolarHBondContact O-N 3.32Å; G1933-I1936 WeakPolarHBondContact O-CG2 3.22Å; G1933-Q1937 WeakPolarHBondContact O-CB 3.31Å; G1933-Q1937 PolarHBondContact O-N 2.78Å |
| 1934 | K | 75.8 | Confident | 73 | Confident | 68 Ų | 68 | 43.3 Ų | 43.3 | 30% | 0.296 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.1 | -49 | 177.7 | 173.5 | 165.8 | 179.8 | 173.6 | 0 | 110.8 | S1931 A1932 Q1937 E1938 R1996 | S1931-K1934 PolarHBondContact O-N 3.23Å; A1932-K1934 VanDerWaalsContact C-N 3.27Å; A1932-K1934 PolarHBondContact O-N 2.9Å; K1934-Q1937 PolarHBondContact O-N 3.02Å; K1934-E1938 WeakPolarHBondContact CE-OE1 3.29Å; K1934-E1938 VanDerWaalsContact CG-OE1 3.28Å; K1934-E1938 WeakPolarHBondContact CG-OE1 3.02Å; K1934-E1938 WeakPolarHBondContact O-CG 3.18Å; K1934-E1938 PolarHBondContact O-N 2.79Å; K1934-R1996 PolarHBondContact O-NH1 3.33Å; K1934-R1996 VanDerWaalsContact O-NH1 3.16Å |
| 1935 | V | 82.1 | Confident | 73.9 | Confident | 23 Ų | 23 | 42.2 Ų | 42.2 | 14% | 0.139 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.3 | -51 | -176.5 | -179.6 | 0 | 0 | 0 | 0 | 111.7 | P1627 A1631 S1931 A1932 Q1937 E1938 E1939 | P1627-V1935 HydrophobicContact CB-CB 4.02Å; P1627-V1935 HydrophobicContact CB-CG1 3.96Å; A1631-V1935 HydrophobicContact CB-CG1 4.46Å; S1931-V1935 PolarHBondContact O-N 3.04Å; A1932-V1935 PolarHBondContact O-N 3.14Å; V1935-Q1937 VanDerWaalsContact C-N 3.27Å; V1935-Q1937 PolarHBondContact O-N 3.25Å; V1935-E1938 WeakPolarHBondContact O-CB 3.42Å; V1935-E1938 PolarHBondContact O-N 3.41Å; V1935-E1938 VanDerWaalsContact O-N 3.13Å; V1935-E1939 HydrophobicContact CG1-CG 4.15Å; V1935-E1939 WeakPolarHBondContact O-CG 3.48Å; V1935-E1939 PolarHBondContact O-N 3.16Å |
| 1936 | I | 86.1 | Confident | 75 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.3 | -39.8 | -179.2 | 176.1 | 163.9 | 0 | 0 | 0 | 111.7 | A1752 A1755 A1925 A1932 G1933 E1939 M1940 | A1752-I1936 HydrophobicContact CB-CD1 3.95Å; A1752-I1936 HydrophobicContact CB-CG2 4.44Å; A1755-I1936 HydrophobicContact CB-CD1 3.7Å; A1925-I1936 HydrophobicContact CB-CG2 4.17Å; A1932-I1936 PolarHBondContact O-N 2.85Å; G1933-I1936 WeakPolarHBondContact O-CG2 3.22Å; I1936-E1939 PolarHBondContact O-N 3.46Å; I1936-M1940 HydrophobicContact CD1-CE 3.8Å; I1936-M1940 HydrophobicContact CD1-SD 4.49Å; I1936-M1940 HydrophobicContact CG1-CE 3.89Å; I1936-M1940 HydrophobicContact CG1-CG 4.18Å; I1936-M1940 HydrophobicContact CG1-SD 3.99Å; I1936-M1940 WeakPolarHBondContact O-CB 3.48Å; I1936-M1940 VanDerWaalsContact O-CG 3.31Å; I1936-M1940 WeakPolarHBondContact O-CG 3.43Å; I1936-M1940 PolarHBondContact O-N 2.89Å |
| 1937 | Q | 85.8 | Confident | 76.5 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.7 | -34.9 | 178.2 | -169.3 | 179.5 | 59.6 | 0 | 0 | 112.3 | L1922 A1925 G1933 K1934 V1935 A1941 | L1922-Q1937 HydrophobicContact CD2-CG 3.99Å; L1922-Q1937 PolarHBondContact O-NE2 3.04Å; A1925-Q1937 HydrophobicContact CB-CB 4.39Å; G1933-Q1937 WeakPolarHBondContact O-CB 3.31Å; G1933-Q1937 PolarHBondContact O-N 2.78Å; K1934-Q1937 PolarHBondContact O-N 3.02Å; V1935-Q1937 VanDerWaalsContact C-N 3.27Å; V1935-Q1937 PolarHBondContact O-N 3.25Å; Q1937-A1941 WeakPolarHBondContact O-CB 3.41Å; Q1937-A1941 PolarHBondContact O-N 3.03Å |
| 1938 | E | 86.1 | Confident | 78.3 | Confident | 57 Ų | 57 | 33.6 Ų | 33.6 | 27% | 0.266 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -67 | -40.5 | 170.6 | -72.4 | 176.1 | -157.7 | 0 | 0 | 112.5 | K1934 V1935 A1941 K1942 R1996 | K1934-E1938 WeakPolarHBondContact CE-OE1 3.29Å; K1934-E1938 VanDerWaalsContact CG-OE1 3.28Å; K1934-E1938 WeakPolarHBondContact CG-OE1 3.02Å; K1934-E1938 WeakPolarHBondContact O-CG 3.18Å; K1934-E1938 PolarHBondContact O-N 2.79Å; V1935-E1938 WeakPolarHBondContact O-CB 3.42Å; V1935-E1938 PolarHBondContact O-N 3.41Å; V1935-E1938 VanDerWaalsContact O-N 3.13Å; E1938-A1941 PolarHBondContact O-N 2.94Å; E1938-K1942 WeakPolarHBondContact O-CD 3.41Å; E1938-K1942 WeakPolarHBondContact O-CE 3.48Å; E1938-K1942 VanDerWaalsContact O-CG 3.26Å; E1938-K1942 WeakPolarHBondContact O-CG 3.5Å; E1938-K1942 PolarHBondContact O-N 3.21Å; E1938-K1942 IonicContact OE2-NZ 3.95Å; E1938-R1996 HydrophobicContact CG-CG 4.34Å |
| 1939 | E | 89.5 | Confident | 80.1 | Confident | 5 Ų | 5 | 34.6 Ų | 34.6 | 2% | 0.023 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -73.4 | -39.7 | -179.2 | -67.9 | -57.4 | 143.3 | 0 | 0 | 112.3 | A1631 R1635 T1756 C1759 V1935 I1936 A1941 K1942 T1943 | A1631-E1939 HydrophobicContact CB-CG 4.22Å; R1635-E1939 IonicContact CZ-OE1 3.39Å; R1635-E1939 IonicContact CZ-OE2 3.83Å; R1635-E1939 VanDerWaalsContact CZ-OE2 3.3Å; R1635-E1939 IonicContact NH1-OE1 2.72Å; R1635-E1939 PolarHBondContact NH1-OE1 3.21Å; R1635-E1939 IonicContact NH1-OE2 3.17Å; R1635-E1939 PolarHBondContact NH1-OE2 2.87Å; R1635-E1939 VanDerWaalsContact NH1-OE2 3.11Å; R1635-E1939 IonicContact NH2-OE1 2.83Å; R1635-E1939 PolarHBondContact NH2-OE1 3.14Å; R1635-E1939 IonicContact NH2-OE2 3.48Å; R1635-E1939 PolarHBondContact NH2-OE2 2.83Å; T1756-E1939 HydrophobicContact CG2-CB 4.31Å; T1756-E1939 HydrophobicContact CG2-CG 4.05Å; C1759-E1939 HydrophobicContact CB-CB 4.22Å; V1935-E1939 HydrophobicContact CG1-CG 4.15Å; V1935-E1939 WeakPolarHBondContact O-CG 3.48Å; V1935-E1939 PolarHBondContact O-N 3.16Å; I1936-E1939 PolarHBondContact O-N 3.46Å; E1939-A1941 VanDerWaalsContact C-N 3.28Å; E1939-A1941 PolarHBondContact O-N 3.4Å; E1939-K1942 PolarHBondContact O-N 3.23Å; E1939-K1942 WeakPolarHBondContact OE1-CD 3.37Å; E1939-K1942 IonicContact OE1-NZ 3.19Å; E1939-K1942 PolarHBondContact OE1-NZ 3.37Å; E1939-T1943 PolarHBondContact O-N 3.03Å; E1939-T1943 PolarHBondContact O-OG1 3.41Å |
| 1940 | M | 90.9 | Very high | 82.2 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.2 | -41.2 | 168.9 | -76.9 | 179.1 | 166.8 | 0 | 0 | 111.8 | L1723 A1755 L1918 A1921 L1922 A1925 I1936 T1943 L1944 | L1723-M1940 VanDerWaalsContact O-CE 3.3Å; L1723-M1940 WeakPolarHBondContact O-CE 3.26Å; A1755-M1940 HydrophobicContact CB-CE 4.49Å; L1918-M1940 HydrophobicContact CD2-CB 3.93Å; L1918-M1940 HydrophobicContact CD2-CG 3.83Å; A1921-M1940 HydrophobicContact CB-CE 3.66Å; A1921-M1940 HydrophobicContact CB-SD 3.94Å; L1922-M1940 HydrophobicContact CD2-CB 3.57Å; L1922-M1940 HydrophobicContact CG-CB 3.98Å; L1922-M1940 HydrophobicContact CG-SD 4.45Å; A1925-M1940 HydrophobicContact CB-SD 4.19Å; I1936-M1940 HydrophobicContact CD1-CE 3.8Å; I1936-M1940 HydrophobicContact CD1-SD 4.49Å; I1936-M1940 HydrophobicContact CG1-CE 3.89Å; I1936-M1940 HydrophobicContact CG1-CG 4.18Å; I1936-M1940 HydrophobicContact CG1-SD 3.99Å; I1936-M1940 WeakPolarHBondContact O-CB 3.48Å; I1936-M1940 VanDerWaalsContact O-CG 3.31Å; I1936-M1940 WeakPolarHBondContact O-CG 3.43Å; I1936-M1940 PolarHBondContact O-N 2.89Å; M1940-T1943 PolarHBondContact O-N 2.8Å; M1940-L1944 VanDerWaalsContact O-CB 3.22Å; M1940-L1944 WeakPolarHBondContact O-CB 3.36Å; M1940-L1944 PolarHBondContact O-N 3Å |
| 1941 | A | 90.1 | Very high | 84.1 | Confident | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66 | -41.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1937 E1938 E1939 L1944 A1945 R1996 V1997 A2000 | Q1937-A1941 WeakPolarHBondContact O-CB 3.41Å; Q1937-A1941 PolarHBondContact O-N 3.03Å; E1938-A1941 PolarHBondContact O-N 2.94Å; E1939-A1941 VanDerWaalsContact C-N 3.28Å; E1939-A1941 PolarHBondContact O-N 3.4Å; A1941-L1944 PolarHBondContact O-N 2.92Å; A1941-A1945 WeakPolarHBondContact O-CB 3.47Å; A1941-A1945 PolarHBondContact O-N 3.16Å; A1941-R1996 HydrophobicContact CB-CB 4.2Å; A1941-R1996 WeakPolarHBondContact CB-O 3.2Å; A1941-V1997 HydrophobicContact CB-CG2 4.17Å; A1941-A2000 HydrophobicContact CB-CB 3.84Å; A1941-A2000 WeakPolarHBondContact O-CB 3.46Å |
| 1942 | K | 91.3 | Very high | 85.2 | Confident | 51 Ų | 51 | 31.2 Ų | 31.2 | 22% | 0.222 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.2 | -40 | 174.4 | -65.9 | 161.9 | -155.1 | 170.3 | 0 | 111.9 | I1763 E1938 E1939 S1946 | I1763-K1942 HydrophobicContact CD1-CB 3.88Å; E1938-K1942 WeakPolarHBondContact O-CD 3.41Å; E1938-K1942 WeakPolarHBondContact O-CE 3.48Å; E1938-K1942 VanDerWaalsContact O-CG 3.26Å; E1938-K1942 WeakPolarHBondContact O-CG 3.5Å; E1938-K1942 PolarHBondContact O-N 3.21Å; E1938-K1942 IonicContact OE2-NZ 3.95Å; E1939-K1942 PolarHBondContact O-N 3.23Å; E1939-K1942 WeakPolarHBondContact OE1-CD 3.37Å; E1939-K1942 IonicContact OE1-NZ 3.19Å; E1939-K1942 PolarHBondContact OE1-NZ 3.37Å; K1942-S1946 WeakPolarHBondContact O-CB 3.29Å; K1942-S1946 PolarHBondContact O-N 3.21Å; K1942-S1946 PolarHBondContact O-OG 2.88Å |
| 1943 | T | 92.7 | Very high | 86 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.2 | -44.8 | 175.7 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | C1759 I1762 I1763 L1918 E1939 M1940 S1946 L1947 | C1759-T1943 VanDerWaalsContact C-OG1 3.31Å; C1759-T1943 VanDerWaalsContact CA-OG1 3.24Å; C1759-T1943 WeakPolarHBondContact CA-OG1 3.42Å; C1759-T1943 WeakPolarHBondContact CB-OG1 3.41Å; C1759-T1943 PolarHBondContact O-OG1 2.92Å; I1762-T1943 HydrophobicContact CB-CG2 3.89Å; I1762-T1943 HydrophobicContact CG2-CG2 3.63Å; I1763-T1943 WeakPolarHBondContact CD1-OG1 3.35Å; I1763-T1943 HydrophobicContact CG1-CG2 4.43Å; L1918-T1943 HydrophobicContact CD1-CG2 4.05Å; E1939-T1943 PolarHBondContact O-N 3.03Å; E1939-T1943 PolarHBondContact O-OG1 3.41Å; M1940-T1943 PolarHBondContact O-N 2.8Å; T1943-S1946 PolarHBondContact O-N 3.48Å; T1943-L1947 HydrophobicContact CG2-CD1 4.06Å; T1943-L1947 HydrophobicContact CG2-CG 4.45Å; T1943-L1947 WeakPolarHBondContact O-CB 3.4Å; T1943-L1947 WeakPolarHBondContact O-CG 3.44Å; T1943-L1947 PolarHBondContact O-N 2.82Å |
| 1944 | L | 92.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.4 | -51.6 | 174.5 | 175.3 | 163.6 | 0 | 0 | 0 | 110.8 | L1915 L1918 L1919 L1922 M1940 A1941 S1946 L1947 L1948 L1959 V1997 V2001 | L1915-L1944 HydrophobicContact CD2-CG 4.14Å; L1918-L1944 HydrophobicContact CD1-CB 4.13Å; L1919-L1944 HydrophobicContact CD2-CD1 4.27Å; L1922-L1944 HydrophobicContact CD1-CD1 3.47Å; L1922-L1944 VanDerWaalsContact CD1-CD1 3.47Å; M1940-L1944 VanDerWaalsContact O-CB 3.22Å; M1940-L1944 WeakPolarHBondContact O-CB 3.36Å; M1940-L1944 PolarHBondContact O-N 3Å; A1941-L1944 PolarHBondContact O-N 2.92Å; L1944-S1946 VanDerWaalsContact C-N 3.32Å; L1944-S1946 PolarHBondContact O-N 3.21Å; L1944-L1947 PolarHBondContact O-N 3.34Å; L1944-L1948 HydrophobicContact CD2-CD1 3.95Å; L1944-L1948 HydrophobicContact CD2-CG 4.29Å; L1944-L1948 WeakPolarHBondContact O-CG 3.42Å; L1944-L1948 PolarHBondContact O-N 2.81Å; L1944-L1959 HydrophobicContact CD1-CD1 3.89Å; L1944-L1959 HydrophobicContact CD2-CD1 3.88Å; L1944-L1959 HydrophobicContact CD2-CD2 4.36Å; L1944-L1959 HydrophobicContact CG-CD1 3.85Å; L1944-V1997 HydrophobicContact CD1-CG1 4.29Å; L1944-V1997 HydrophobicContact CD1-CG2 4.16Å; L1944-V1997 HydrophobicContact CD2-CG1 3.96Å; L1944-V2001 HydrophobicContact CD2-CG2 4.25Å |
| 1945 | A | 88.9 | Confident | 86.9 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.4 | -37.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1941 A2000 V2001 H2004 C2005 | A1941-A1945 WeakPolarHBondContact O-CB 3.47Å; A1941-A1945 PolarHBondContact O-N 3.16Å; A1945-A2000 HydrophobicContact CB-CB 4.08Å; A1945-A2000 WeakPolarHBondContact CB-O 3.41Å; A1945-V2001 HydrophobicContact CB-CG2 4.01Å; A1945-H2004 HydrophobicContact CB-CB 4.06Å; A1945-C2005 PolarHBondContact O-SG 3.35Å |
| 1946 | S | 87.7 | Confident | 87.1 | Confident | 23 Ų | 23 | 38.2 Ų | 38.2 | 16% | 0.161 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68 | -35.8 | 175.1 | -57.6 | 0 | 0 | 0 | 0 | 112.9 | K1942 T1943 L1944 | K1942-S1946 WeakPolarHBondContact O-CB 3.29Å; K1942-S1946 PolarHBondContact O-N 3.21Å; K1942-S1946 PolarHBondContact O-OG 2.88Å; T1943-S1946 PolarHBondContact O-N 3.48Å; L1944-S1946 VanDerWaalsContact C-N 3.32Å; L1944-S1946 PolarHBondContact O-N 3.21Å |
| 1947 | L | 90 | Very high | 86.9 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -74 | -31.3 | 177.6 | -78.8 | 173.4 | 0 | 0 | 0 | 113.3 | I1762 L1907 T1911 L1914 L1915 L1918 T1943 L1944 R1949 F1950 | I1762-L1947 HydrophobicContact CG2-CD1 4.09Å; I1762-L1947 HydrophobicContact CG2-CD2 3.87Å; I1762-L1947 HydrophobicContact CG2-CG 4.05Å; L1907-L1947 HydrophobicContact CD2-CD2 3.72Å; L1907-L1947 HydrophobicContact CG-CD2 4.19Å; T1911-L1947 HydrophobicContact CG2-CB 4.12Å; T1911-L1947 HydrophobicContact CG2-CD2 4.34Å; T1911-L1947 WeakPolarHBondContact CG2-O 3.06Å; L1914-L1947 HydrophobicContact CB-CD1 3.73Å; L1914-L1947 HydrophobicContact CD1-CD1 4.36Å; L1914-L1947 HydrophobicContact CD1-CD2 4.17Å; L1915-L1947 HydrophobicContact CD2-CB 3.93Å; L1915-L1947 HydrophobicContact CD2-CD1 4.44Å; L1915-L1947 HydrophobicContact CG-CB 4.33Å; L1918-L1947 HydrophobicContact CD1-CD1 3.69Å; T1943-L1947 HydrophobicContact CG2-CD1 4.06Å; T1943-L1947 HydrophobicContact CG2-CG 4.45Å; T1943-L1947 WeakPolarHBondContact O-CB 3.4Å; T1943-L1947 WeakPolarHBondContact O-CG 3.44Å; T1943-L1947 PolarHBondContact O-N 2.82Å; L1944-L1947 PolarHBondContact O-N 3.34Å; L1947-R1949 PolarHBondContact O-N 2.99Å; L1947-R1949 VanDerWaalsContact O-N 3.09Å; L1947-F1950 PolarHBondContact O-N 3.21Å |
| 1948 | L | 86.7 | Confident | 86.8 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -54.3 | -30.4 | -179.9 | -81.3 | 178.1 | 0 | 0 | 0 | 113.4 | L1915 L1944 F1950 A1951 V1956 L1959 V2001 L2008 | L1915-L1948 HydrophobicContact CD1-CD2 4.23Å; L1915-L1948 HydrophobicContact CD2-CD2 4.5Å; L1944-L1948 HydrophobicContact CD2-CD1 3.95Å; L1944-L1948 HydrophobicContact CD2-CG 4.29Å; L1944-L1948 WeakPolarHBondContact O-CG 3.42Å; L1944-L1948 PolarHBondContact O-N 2.81Å; L1948-F1950 PolarHBondContact O-N 2.8Å; L1948-F1950 VanDerWaalsContact O-N 3.14Å; L1948-A1951 HydrophobicContact CD2-CB 4.47Å; L1948-A1951 WeakPolarHBondContact O-CB 3.33Å; L1948-A1951 PolarHBondContact O-N 2.83Å; L1948-A1951 VanDerWaalsContact O-N 3.08Å; L1948-V1956 HydrophobicContact CD2-CB 4.4Å; L1948-V1956 HydrophobicContact CD2-CG1 4.09Å; L1948-V1956 HydrophobicContact CD2-CG2 3.99Å; L1948-L1959 HydrophobicContact CD1-CD2 4.24Å; L1948-L1959 HydrophobicContact CD2-CD1 4.06Å; L1948-L1959 HydrophobicContact CD2-CD2 4.42Å; L1948-V2001 HydrophobicContact CD1-CG1 4.46Å; L1948-V2001 HydrophobicContact CD1-CG2 3.8Å; L1948-L2008 HydrophobicContact CB-CD1 3.65Å; L1948-L2008 HydrophobicContact CD1-CD1 4.35Å |
| 1949 | R | 84.5 | Confident | 87 | Confident | 164 Ų | 164 | 44.8 Ų | 44.8 | 62% | 0.619 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -13 | 176.8 | -151.2 | 176.4 | -162.4 | 168.6 | 8.7 | 114.3 | L1947 | L1947-R1949 PolarHBondContact O-N 2.99Å; L1947-R1949 VanDerWaalsContact O-N 3.09Å |
| 1950 | F | 87.6 | Confident | 86.9 | Confident | 28 Ų | 28 | 44.7 Ų | 44.7 | 12% | 0.123 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117 | 15 | 176.4 | -54.8 | -84.3 | 0 | 0 | 0 | 112.4 | A1766 N1769 T1770 L1773 T1911 L1947 L1948 | A1766-F1950 HydrophobicContact CB-CE2 3.95Å; N1769-F1950 HydrophobicContact CB-CE1 3.76Å; N1769-F1950 HydrophobicContact CB-CZ 3.56Å; T1770-F1950 HydrophobicContact CG2-CE2 4.3Å; T1770-F1950 HydrophobicContact CG2-CZ 3.73Å; L1773-F1950 HydrophobicContact CD1-CE1 4.2Å; T1911-F1950 WeakPolarHBondContact CB-O 3.28Å; T1911-F1950 HydrophobicContact CG2-CB 4.19Å; T1911-F1950 WeakPolarHBondContact OG1-CB 3.43Å; T1911-F1950 PolarHBondContact OG1-O 2.84Å; L1947-F1950 PolarHBondContact O-N 3.21Å; L1948-F1950 PolarHBondContact O-N 2.8Å; L1948-F1950 VanDerWaalsContact O-N 3.14Å |
| 1951 | A | 86.8 | Confident | 86.6 | Confident | 28 Ų | 28 | 48.7 Ų | 48.7 | 23% | 0.231 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -93.4 | 156.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T1911 L1915 L1948 V1956 | T1911-A1951 HydrophobicContact CG2-CB 4.08Å; L1915-A1951 HydrophobicContact CD1-CB 3.78Å; L1948-A1951 HydrophobicContact CD2-CB 4.47Å; L1948-A1951 WeakPolarHBondContact O-CB 3.33Å; L1948-A1951 PolarHBondContact O-N 2.83Å; L1948-A1951 VanDerWaalsContact O-N 3.08Å; A1951-V1956 HydrophobicContact CB-CG2 4.17Å |
| 1952 | K | 83.8 | Confident | 86.3 | Confident | 165 Ų | 165 | 54.1 Ų | 54.1 | 72% | 0.717 | 26% | 0.26 | S | S | * | . | trans | -75 | 142.3 | 162.6 | -64.6 | -170.6 | 177.9 | -170.3 | 0 | 108.9 | T1954 S1955 V1956 | K1952-T1954 PolarHBondContact O-N 3.45Å; K1952-S1955 WeakPolarHBondContact O-CA 3.48Å; K1952-S1955 VanDerWaalsContact O-CB 3.24Å; K1952-S1955 WeakPolarHBondContact O-CB 3.28Å; K1952-S1955 PolarHBondContact O-N 3.2Å; K1952-V1956 PolarHBondContact O-N 2.78Å | ||
| 1953 | E | 76.8 | Confident | 86.1 | Confident | 135 Ų | 135 | 51.8 Ų | 51.8 | 63% | 0.631 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -52.5 | -39.6 | 179.9 | -170.7 | 169.2 | -169.1 | 0 | 0 | 113.2 | S1955 V1956 T1957 | E1953-S1955 PolarHBondContact O-N 3.01Å; E1953-V1956 WeakPolarHBondContact O-CA 3.32Å; E1953-V1956 WeakPolarHBondContact O-CB 3.41Å; E1953-V1956 PolarHBondContact O-N 3.22Å; E1953-T1957 PolarHBondContact O-N 2.99Å; E1953-T1957 VanDerWaalsContact O-N 3.08Å |
| 1954 | T | 82.1 | Confident | 85.7 | Confident | 93 Ų | 93 | 53.9 Ų | 53.9 | 57% | 0.571 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -64.1 | -9.3 | 173.9 | 56.5 | 0 | 0 | 0 | 0 | 115.2 | K1952 K1958 | K1952-T1954 PolarHBondContact O-N 3.45Å; T1954-K1958 WeakPolarHBondContact O-CD 3.43Å; T1954-K1958 VanDerWaalsContact O-CG 3.32Å; T1954-K1958 WeakPolarHBondContact O-CG 3.33Å |
| 1955 | S | 83.9 | Confident | 85.3 | Confident | 41 Ų | 41 | 55.7 Ų | 55.7 | 29% | 0.287 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -94.5 | -27.6 | 168.4 | -52.7 | 0 | 0 | 0 | 0 | 112.2 | K1952 E1953 L1959 | K1952-S1955 WeakPolarHBondContact O-CA 3.48Å; K1952-S1955 VanDerWaalsContact O-CB 3.24Å; K1952-S1955 WeakPolarHBondContact O-CB 3.28Å; K1952-S1955 PolarHBondContact O-N 3.2Å; E1953-S1955 PolarHBondContact O-N 3.01Å; S1955-L1959 WeakPolarHBondContact O-CB 3.43Å; S1955-L1959 PolarHBondContact O-N 3.27Å; S1955-L1959 VanDerWaalsContact O-N 3.11Å |
| 1956 | V | 85.7 | Confident | 85 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.024 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -73.9 | -42.8 | 178.7 | -167 | 0 | 0 | 0 | 0 | 110.5 | L1948 A1951 K1952 E1953 L1959 F1960 | L1948-V1956 HydrophobicContact CD2-CB 4.4Å; L1948-V1956 HydrophobicContact CD2-CG1 4.09Å; L1948-V1956 HydrophobicContact CD2-CG2 3.99Å; A1951-V1956 HydrophobicContact CB-CG2 4.17Å; K1952-V1956 PolarHBondContact O-N 2.78Å; E1953-V1956 WeakPolarHBondContact O-CA 3.32Å; E1953-V1956 WeakPolarHBondContact O-CB 3.41Å; E1953-V1956 PolarHBondContact O-N 3.22Å; V1956-L1959 WeakPolarHBondContact O-CB 3.35Å; V1956-L1959 PolarHBondContact O-N 2.96Å; V1956-F1960 HydrophobicContact CG1-CD2 4.01Å; V1956-F1960 HydrophobicContact CG1-CE2 3.59Å; V1956-F1960 WeakPolarHBondContact O-CD2 3.5Å; V1956-F1960 PolarHBondContact O-N 2.96Å |
| 1957 | T | 81.7 | Confident | 84.7 | Confident | 45 Ų | 45 | 54.6 Ų | 54.6 | 28% | 0.276 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.1 | -48.3 | 173.2 | 54.8 | 0 | 0 | 0 | 0 | 112 | E1953 L1959 F1960 N1961 H2012 | E1953-T1957 PolarHBondContact O-N 2.99Å; E1953-T1957 VanDerWaalsContact O-N 3.08Å; T1957-L1959 PolarHBondContact O-N 2.93Å; T1957-F1960 PolarHBondContact O-N 3.31Å; T1957-N1961 PolarHBondContact O-N 3.1Å; T1957-H2012 VanDerWaalsContact CG2-CE1 3.45Å; T1957-H2012 WeakPolarHBondContact CG2-CE1 3.25Å |
| 1958 | K | 84.5 | Confident | 84.1 | Confident | 151 Ų | 151 | 56 Ų | 56 | 66% | 0.657 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -60.2 | -33.8 | 176.1 | -69.3 | -178.3 | -175.8 | -173.3 | 0 | 112.5 | T1954 R1962 | T1954-K1958 WeakPolarHBondContact O-CD 3.43Å; T1954-K1958 VanDerWaalsContact O-CG 3.32Å; T1954-K1958 WeakPolarHBondContact O-CG 3.33Å; K1958-R1962 WeakPolarHBondContact O-CB 3.29Å; K1958-R1962 PolarHBondContact O-N 3.34Å |
| 1959 | L | 88.3 | Confident | 83.4 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.3 | -47.1 | 176 | 177 | 137.8 | 0 | 0 | 0 | 112.1 | L1915 L1919 L1944 L1948 S1955 V1956 T1957 R1962 V1963 | L1915-L1959 HydrophobicContact CD2-CD1 4.36Å; L1919-L1959 HydrophobicContact CD1-CB 4.32Å; L1919-L1959 HydrophobicContact CD1-CD1 4.18Å; L1919-L1959 HydrophobicContact CD1-CG 4.43Å; L1919-L1959 HydrophobicContact CD2-CD1 3.96Å; L1919-L1959 HydrophobicContact CD2-CG 4.07Å; L1919-L1959 HydrophobicContact CG-CD1 4.23Å; L1944-L1959 HydrophobicContact CD1-CD1 3.89Å; L1944-L1959 HydrophobicContact CD2-CD1 3.88Å; L1944-L1959 HydrophobicContact CD2-CD2 4.36Å; L1944-L1959 HydrophobicContact CG-CD1 3.85Å; L1948-L1959 HydrophobicContact CD1-CD2 4.24Å; L1948-L1959 HydrophobicContact CD2-CD1 4.06Å; L1948-L1959 HydrophobicContact CD2-CD2 4.42Å; S1955-L1959 WeakPolarHBondContact O-CB 3.43Å; S1955-L1959 PolarHBondContact O-N 3.27Å; S1955-L1959 VanDerWaalsContact O-N 3.11Å; V1956-L1959 WeakPolarHBondContact O-CB 3.35Å; V1956-L1959 PolarHBondContact O-N 2.96Å; T1957-L1959 PolarHBondContact O-N 2.93Å; L1959-R1962 WeakPolarHBondContact O-CB 3.29Å; L1959-R1962 PolarHBondContact O-N 3.22Å; L1959-R1962 VanDerWaalsContact O-N 3.14Å; L1959-V1963 WeakPolarHBondContact O-CG2 3.25Å; L1959-V1963 PolarHBondContact O-N 2.91Å |
| 1960 | F | 88.2 | Confident | 82.1 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 1% | 0.013 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.6 | -36.3 | 178 | -71.1 | -55.9 | 0 | 0 | 0 | 112.9 | V1956 T1957 R1962 V1963 R1964 L1998 V2001 L2009 H2012 I2015 T2016 | V1956-F1960 HydrophobicContact CG1-CD2 4.01Å; V1956-F1960 HydrophobicContact CG1-CE2 3.59Å; V1956-F1960 WeakPolarHBondContact O-CD2 3.5Å; V1956-F1960 PolarHBondContact O-N 2.96Å; T1957-F1960 PolarHBondContact O-N 3.31Å; F1960-R1962 VanDerWaalsContact C-N 3.29Å; F1960-R1962 PolarHBondContact O-N 2.84Å; F1960-V1963 PolarHBondContact O-N 3.38Å; F1960-R1964 PolarHBondContact O-N 2.84Å; F1960-L1998 HydrophobicContact CD1-CD2 4.25Å; F1960-L1998 HydrophobicContact CE1-CD2 4.05Å; F1960-V2001 HydrophobicContact CZ-CG1 4.17Å; F1960-L2009 HydrophobicContact CE1-CD2 3.73Å; F1960-L2009 HydrophobicContact CZ-CD2 3.73Å; F1960-H2012 HydrophobicContact CD2-CB 3.86Å; F1960-H2012 AromaticContact CD2-CD2 3.69Å; F1960-H2012 HydrophobicContact CE2-CB 4.2Å; F1960-H2012 AromaticContact CE2-CD2 3.73Å; F1960-I2015 HydrophobicContact CB-CG2 3.97Å; F1960-T2016 HydrophobicContact CD1-CG2 3.66Å; F1960-T2016 HydrophobicContact CD2-CG2 4.09Å; F1960-T2016 HydrophobicContact CE1-CG2 3.8Å; F1960-T2016 HydrophobicContact CE2-CG2 4.18Å; F1960-T2016 HydrophobicContact CG-CG2 3.83Å; F1960-T2016 HydrophobicContact CZ-CG2 4.07Å |
| 1961 | N | 84.6 | Confident | 80.2 | Confident | 84 Ų | 84 | 58.9 Ų | 58.9 | 45% | 0.449 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.9 | -37.1 | 170.5 | -72.5 | -9.7 | 0 | 0 | 0 | 112 | T1957 R1964 S1965 | T1957-N1961 PolarHBondContact O-N 3.1Å; N1961-R1964 PolarHBondContact O-N 3.22Å; N1961-S1965 PolarHBondContact O-N 2.79Å; N1961-S1965 VanDerWaalsContact O-N 3.14Å |
| 1962 | R | 84.7 | Confident | 78 | Confident | 115 Ų | 115 | 65.7 Ų | 65.7 | 43% | 0.434 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 173.4 | -162.4 | 70.9 | 178.8 | 116.8 | -10.6 | 112 | L1919 K1958 L1959 F1960 S1965 W1966 | L1919-R1962 HydrophobicContact CD2-CB 4.49Å; L1919-R1962 HydrophobicContact CD2-CG 4.41Å; K1958-R1962 WeakPolarHBondContact O-CB 3.29Å; K1958-R1962 PolarHBondContact O-N 3.34Å; L1959-R1962 WeakPolarHBondContact O-CB 3.29Å; L1959-R1962 PolarHBondContact O-N 3.22Å; L1959-R1962 VanDerWaalsContact O-N 3.14Å; F1960-R1962 VanDerWaalsContact C-N 3.29Å; F1960-R1962 PolarHBondContact O-N 2.84Å; R1962-S1965 PolarHBondContact NH1-OG 3.22Å; R1962-S1965 PolarHBondContact O-N 3.13Å; R1962-S1965 PolarHBondContact O-OG 2.79Å; R1962-W1966 HydrophobicContact CG-CZ2 3.86Å; R1962-W1966 PolarHBondContact O-N 3.28Å |
| 1963 | V | 85.9 | Confident | 75.3 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 176.7 | 173 | 0 | 0 | 0 | 0 | 111.6 | L1959 F1960 S1965 W1966 Y1967 C1994 V1997 L1998 L2019 | L1959-V1963 WeakPolarHBondContact O-CG2 3.25Å; L1959-V1963 PolarHBondContact O-N 2.91Å; F1960-V1963 PolarHBondContact O-N 3.38Å; V1963-S1965 VanDerWaalsContact C-N 3.3Å; V1963-S1965 PolarHBondContact O-N 3.03Å; V1963-W1966 HydrophobicContact CG2-CE3 4.24Å; V1963-W1966 HydrophobicContact CG2-CZ3 4.17Å; V1963-W1966 WeakPolarHBondContact O-CB 3.43Å; V1963-W1966 PolarHBondContact O-N 2.67Å; V1963-W1966 VanDerWaalsContact O-N 3.08Å; V1963-Y1967 PolarHBondContact O-N 3.19Å; V1963-C1994 HydrophobicContact CG1-CB 4.26Å; V1963-C1994 VanDerWaalsContact CG1-SG 3.52Å; V1963-V1997 HydrophobicContact CG2-CB 4.47Å; V1963-V1997 HydrophobicContact CG2-CG1 3.92Å; V1963-L1998 HydrophobicContact CG1-CD1 4.24Å; V1963-L1998 HydrophobicContact CG1-CD2 4.39Å; V1963-L1998 HydrophobicContact CG1-CG 4.17Å; V1963-L2019 HydrophobicContact CG1-CD2 4.14Å |
| 1964 | R | 84.4 | Confident | 73.1 | Confident | 45 Ų | 45 | 62.5 Ų | 62.5 | 17% | 0.17 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -54.6 | -44.7 | 170.9 | 179.1 | 176.6 | 174.6 | 166 | -2.1 | 111.6 | F1960 N1961 W1966 Y1967 L1968 L2148 D2151 | F1960-R1964 PolarHBondContact O-N 2.84Å; N1961-R1964 PolarHBondContact O-N 3.22Å; R1964-W1966 PolarHBondContact O-N 3.28Å; R1964-Y1967 PolarHBondContact O-N 3.3Å; R1964-L1968 HydrophobicContact CG-CD1 4Å; R1964-L1968 PolarHBondContact O-N 3.17Å; R1964-L2148 HydrophobicContact CG-CD1 3.96Å; R1964-D2151 IonicContact CZ-OD2 2.69Å; R1964-D2151 IonicContact NE-OD2 3.7Å; R1964-D2151 PolarHBondContact NE-OD2 2.98Å; R1964-D2151 IonicContact NH2-OD1 3.23Å; R1964-D2151 IonicContact NH2-OD2 3.25Å; R1964-D2151 PolarHBondContact NH2-OD2 2.99Å |
| 1965 | S | 83.5 | Confident | 70.2 | Confident | 38 Ų | 38 | 63.6 Ų | 63.6 | 27% | 0.266 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.8 | -21.1 | 178.2 | 78.7 | 0 | 0 | 0 | 0 | 114.8 | N1961 R1962 V1963 Q1969 | N1961-S1965 PolarHBondContact O-N 2.79Å; N1961-S1965 VanDerWaalsContact O-N 3.14Å; R1962-S1965 PolarHBondContact NH1-OG 3.22Å; R1962-S1965 PolarHBondContact O-N 3.13Å; R1962-S1965 PolarHBondContact O-OG 2.79Å; V1963-S1965 VanDerWaalsContact C-N 3.3Å; V1963-S1965 PolarHBondContact O-N 3.03Å; S1965-Q1969 WeakPolarHBondContact O-CB 3.31Å; S1965-Q1969 WeakPolarHBondContact O-CG 3.37Å |
| 1966 | W | 83.9 | Confident | 67.4 | Low | 1 Ų | 1 | 65 Ų | 65 | 0% | 0.004 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -83.9 | -30.5 | 177.3 | -65.5 | -18.6 | 0 | 0 | 0 | 113.2 | L1919 L1922 P1923 R1962 V1963 R1964 S1990 A1993 V1997 | L1919-W1966 HydrophobicContact CD2-CH2 3.7Å; L1919-W1966 HydrophobicContact CD2-CZ2 4.12Å; L1919-W1966 WeakPolarHBondContact O-CZ2 3.32Å; L1922-W1966 HydrophobicContact CB-CH2 3.81Å; L1922-W1966 HydrophobicContact CB-CZ3 4.16Å; L1922-W1966 HydrophobicContact CD1-CH2 4.1Å; L1922-W1966 HydrophobicContact CD1-CZ3 4.35Å; P1923-W1966 HydrophobicContact CG-CD2 4.02Å; P1923-W1966 VanDerWaalsContact CG-CE2 3.47Å; P1923-W1966 HydrophobicContact CG-CG 4.46Å; P1923-W1966 HydrophobicContact CG-CH2 4.26Å; P1923-W1966 HydrophobicContact CG-CZ2 3.62Å; R1962-W1966 HydrophobicContact CG-CZ2 3.86Å; R1962-W1966 PolarHBondContact O-N 3.28Å; V1963-W1966 HydrophobicContact CG2-CE3 4.24Å; V1963-W1966 HydrophobicContact CG2-CZ3 4.17Å; V1963-W1966 WeakPolarHBondContact O-CB 3.43Å; V1963-W1966 PolarHBondContact O-N 2.67Å; V1963-W1966 VanDerWaalsContact O-N 3.08Å; R1964-W1966 PolarHBondContact O-N 3.28Å; W1966-S1990 WeakPolarHBondContact O-CB 3.42Å; W1966-S1990 PolarHBondContact O-OG 2.97Å; W1966-A1993 HydrophobicContact CE3-CB 4.1Å; W1966-A1993 HydrophobicContact CZ3-CB 4.33Å; W1966-V1997 HydrophobicContact CZ3-CG2 4.32Å |
| 1967 | Y | 81.8 | Confident | 64.4 | Low | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -73.1 | -43.1 | 176 | 178.2 | -94.1 | 0 | 0 | 0 | 111.3 | V1963 R1964 Q1969 H1991 L2019 L2022 V2161 Q2164 | V1963-Y1967 PolarHBondContact O-N 3.19Å; R1964-Y1967 PolarHBondContact O-N 3.3Å; Y1967-Q1969 PolarHBondContact O-N 3.02Å; Y1967-H1991 AromaticContact CD2-CD2 3.72Å; Y1967-H1991 AromaticContact CD2-NE2 3.84Å; Y1967-H1991 AromaticContact CE2-CD2 3.76Å; Y1967-H1991 AromaticContact CE2-NE2 3.84Å; Y1967-H1991 PolarHBondContact O-CE1 3.14Å; Y1967-H1991 PolarHBondContact O-NE2 3.29Å; Y1967-L2019 HydrophobicContact CD1-CD1 3.67Å; Y1967-L2019 HydrophobicContact CD2-CD1 4.18Å; Y1967-L2019 HydrophobicContact CE1-CD1 4.27Å; Y1967-L2019 HydrophobicContact CG-CD1 3.62Å; Y1967-L2022 HydrophobicContact CE1-CD2 3.56Å; Y1967-L2022 HydrophobicContact CE1-CG 4.25Å; Y1967-V2161 HydrophobicContact CE1-CG1 3.83Å; Y1967-V2161 HydrophobicContact CE1-CG2 4.24Å; Y1967-Q2164 PolarHBondContact OH-OE1 2.85Å |
| 1968 | L | 77.2 | Confident | 61.6 | Low | 29 Ų | 29 | 75.5 Ų | 75.5 | 15% | 0.152 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -74.5 | -6.3 | 178.6 | -63.4 | 168.3 | 0 | 0 | 0 | 114.1 | R1964 D2151 A2152 | R1964-L1968 HydrophobicContact CG-CD1 4Å; R1964-L1968 PolarHBondContact O-N 3.17Å; L1968-D2151 HydrophobicContact CD1-CB 3.66Å; L1968-D2151 WeakPolarHBondContact CD1-OD2 3.3Å; L1968-D2151 HydrophobicContact CD2-CB 3.86Å; L1968-D2151 HydrophobicContact CG-CB 4.4Å; L1968-A2152 HydrophobicContact CD2-CB 4.13Å |
| 1969 | Q | 71.4 | Confident | 58.6 | Low | 72 Ų | 72 | 72.7 Ų | 72.7 | 34% | 0.336 | 45% | 0.454 | S | S | . | . | trans | -71.4 | 140.8 | -168.3 | -126.5 | 179.5 | -14.7 | 0 | 0 | 113.4 | S1965 Y1967 N2158 | S1965-Q1969 WeakPolarHBondContact O-CB 3.31Å; S1965-Q1969 WeakPolarHBondContact O-CG 3.37Å; Y1967-Q1969 PolarHBondContact O-N 3.02Å; Q1969-N2158 PolarHBondContact O-ND2 3.06Å | ||
| 1970 | P | 57 | Low | 55.5 | Low | 78 Ų | 78 | 75.2 Ų | 75.2 | 51% | 0.506 | 48% | 0.481 | S | S | . | . | trans | -57.5 | 143.3 | 177.3 | -28.1 | 35.8 | 0 | 0 | 0 | 114.8 | Q1972 P2157 | P1970-Q1972 PolarHBondContact O-N 3.24Å; P1970-Q1972 VanDerWaalsContact O-N 3.17Å; P1970-P2157 HydrophobicContact CB-CG 3.62Å; P1970-P2157 HydrophobicContact CG-CG 3.8Å | ||
| 1971 | E | 48.1 | Very low | 52.3 | Low | 108 Ų | 108 | 82.6 Ų | 82.6 | 51% | 0.505 | 53% | 0.526 | S | S | . | . | trans | -62.2 | 111.9 | 163.8 | -173.6 | 166.4 | -150.9 | 0 | 0 | 110.1 | A1973 N2158 | E1971-A1973 PolarHBondContact O-N 3.5Å; E1971-N2158 PolarHBondContact N-OD1 3.18Å; E1971-N2158 VanDerWaalsContact N-OD1 3.07Å | ||
| 1972 | Q | 39.5 | Very low | 49.4 | Very low | 170 Ų | 170 | 86.7 Ų | 86.7 | 79% | 0.794 | 54% | 0.542 | S | S | * | . | trans | -71.8 | 101.1 | 177.6 | -72.5 | -171 | -10.6 | 0 | 0 | 110.1 | P1970 T1974 | P1970-Q1972 PolarHBondContact O-N 3.24Å; P1970-Q1972 VanDerWaalsContact O-N 3.17Å; Q1972-T1974 PolarHBondContact O-N 3.26Å | ||
| 1973 | A | 28 | Very low | 46.5 | Very low | 98 Ų | 98 | 85 Ų | 85 | 81% | 0.81 | 56% | 0.561 | S | S | * | * | trans | -54.7 | 108.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | E1971 A1975 | E1971-A1973 PolarHBondContact O-N 3.5Å; A1973-A1975 PolarHBondContact O-N 2.75Å | ||
| 1974 | T | 30.5 | Very low | 43.9 | Very low | 136 Ų | 136 | 87 Ų | 87 | 83% | 0.834 | 58% | 0.581 | S | S | * | * | trans | -69.3 | 116.2 | 177.2 | 40 | 0 | 0 | 0 | 0 | 109.3 | Q1972 G1976 | Q1972-T1974 PolarHBondContact O-N 3.26Å; T1974-G1976 PolarHBondContact O-N 2.95Å | ||
| 1975 | A | 22 | Very low | 41.7 | Very low | 115 Ų | 115 | 88.6 Ų | 88.6 | 95% | 0.95 | 60% | 0.599 | S | S | * | * | trans | -57.6 | 110.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1973 | A1973-A1975 PolarHBondContact O-N 2.75Š| ||
| 1976 | G | 24.9 | Very low | 40 | Very low | 70 Ų | 70 | 91.8 Ų | 91.8 | 72% | 0.722 | 61% | 0.613 | S | S | * | * | trans | -160 | 131.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | T1974 D1978 | T1974-G1976 PolarHBondContact O-N 2.95Å; G1976-D1978 PolarHBondContact O-N 3.24Å | ||
| 1977 | S | 22 | Very low | 39.1 | Very low | 113 Ų | 113 | 94 Ų | 94 | 79% | 0.79 | 63% | 0.625 | S | S | * | * | trans | -76.1 | 111.8 | -176.1 | 52.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1978 | D | 24.1 | Very low | 38.7 | Very low | 158 Ų | 158 | 95.1 Ų | 95.1 | 85% | 0.845 | 63% | 0.632 | S | S | * | * | -167.6 | 137.6 | 125.7 | -95.8 | -24.5 | 0 | 0 | 0 | 111.2 | G1976 G1980 | G1976-D1978 PolarHBondContact O-N 3.24Å; D1978-G1980 PolarHBondContact O-N 3.36Å; D1978-G1980 VanDerWaalsContact O-N 3.11Å | |||
| 1979 | G | 21 | Very low | 38.5 | Very low | 92 Ų | 92 | 97 Ų | 97 | 95% | 0.948 | 64% | 0.642 | S | S | * | * | trans | -80 | 89.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1980 | G | 21.9 | Very low | 38.8 | Very low | 54 Ų | 54 | 94.2 Ų | 94.2 | 56% | 0.557 | 63% | 0.63 | S | S | * | * | trans | -151.9 | 124 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1978 Q1982 | D1978-G1980 PolarHBondContact O-N 3.36Å; D1978-G1980 VanDerWaalsContact O-N 3.11Å; G1980-Q1982 VanDerWaalsContact C-N 3.34Å; G1980-Q1982 PolarHBondContact O-N 3.47Å | ||
| 1981 | V | 22.7 | Very low | 39.9 | Very low | 158 Ų | 158 | 90.9 Ų | 90.9 | 96% | 0.958 | 61% | 0.608 | S | S | * | * | trans | -74.4 | 84.5 | 178.3 | -176 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1982 | Q | 22.9 | Very low | 41.5 | Very low | 170 Ų | 170 | 87.3 Ų | 87.3 | 79% | 0.794 | 59% | 0.59 | S | S | * | * | trans | -104.9 | 93.1 | 172 | -63.8 | -168.2 | 16.9 | 0 | 0 | 109.8 | G1980 G1984 | G1980-Q1982 VanDerWaalsContact C-N 3.34Å; G1980-Q1982 PolarHBondContact O-N 3.47Å; Q1982-G1984 PolarHBondContact O-N 3.23Å | ||
| 1983 | G | 24.3 | Very low | 43.6 | Very low | 80 Ų | 80 | 79.2 Ų | 79.2 | 83% | 0.825 | 55% | 0.552 | S | S | * | * | trans | -72.4 | 58.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S1985 | G1983-S1985 PolarHBondContact O-N 3.38Š| ||
| 1984 | G | 30 | Very low | 46.4 | Very low | 42 Ų | 42 | 74.5 Ų | 74.5 | 43% | 0.433 | 51% | 0.513 | S | S | . | . | trans | -81.5 | 99.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q1982 N1986 | Q1982-G1984 PolarHBondContact O-N 3.23Å; G1984-N1986 PolarHBondContact O-N 3.3Å | ||
| 1985 | S | 39.2 | Very low | 49.1 | Very low | 78 Ų | 78 | 68.1 Ų | 68.1 | 55% | 0.545 | 47% | 0.474 | S | S | . | . | trans | -69.8 | 85 | -172.4 | 59.7 | 0 | 0 | 0 | 0 | 113.8 | G1983 | G1983-S1985 PolarHBondContact O-N 3.38Š| ||
| 1986 | N | 47.9 | Very low | 52.2 | Low | 106 Ų | 106 | 63.5 Ų | 63.5 | 57% | 0.567 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -78.4 | 134.1 | 168.5 | -73.8 | -47.8 | 0 | 0 | 0 | 110.4 | G1984 S1988 | G1984-N1986 PolarHBondContact O-N 3.3Å; N1986-S1988 PolarHBondContact O-N 3.48Å |
| 1987 | I | 64.8 | Low | 55.3 | Low | 48 Ų | 48 | 60.2 Ų | 60.2 | 25% | 0.246 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 119.5 | 173.9 | -63.4 | 158.1 | 0 | 0 | 0 | 108.3 | H1991 L2083 Y2086 | I1987-H1991 HydrophobicContact CG2-CB 3.72Å; I1987-L2083 HydrophobicContact CD1-CD1 3.95Å; I1987-Y2086 HydrophobicContact CD1-CD1 3.88Å; I1987-Y2086 HydrophobicContact CD1-CD2 4.13Å; I1987-Y2086 HydrophobicContact CD1-CG 3.64Å; I1987-Y2086 HydrophobicContact CG2-CD2 3.78Å; I1987-Y2086 HydrophobicContact CG2-CE2 3.61Å; I1987-Y2086 HydrophobicContact CG2-CG 4.36Å |
| 1988 | S | 72.5 | Confident | 58.5 | Low | 23 Ų | 23 | 54.9 Ų | 54.9 | 16% | 0.161 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 156.6 | -175.1 | 89.2 | 0 | 0 | 0 | 0 | 113 | N1986 S1990 H1991 W1992 | N1986-S1988 PolarHBondContact O-N 3.48Å; S1988-S1990 PolarHBondContact O-N 3.33Å; S1988-S1990 PolarHBondContact OG-OG 3Å; S1988-H1991 WeakPolarHBondContact O-CB 3.3Å; S1988-H1991 PolarHBondContact O-N 2.97Å; S1988-H1991 VanDerWaalsContact O-N 3.1Å; S1988-H1991 PolarHBondContact OG-N 3.14Å; S1988-H1991 PolarHBondContact OG-ND1 2.87Å; S1988-W1992 PolarHBondContact O-N 2.88Å |
| 1989 | I | 73.3 | Confident | 61.6 | Low | 69 Ų | 69 | 49.4 Ų | 49.4 | 35% | 0.354 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62 | -31.5 | -178.2 | -61.3 | 158.2 | 0 | 0 | 0 | 111.6 | P1923 C1926 W1992 A1993 | P1923-I1989 WeakPolarHBondContact O-CG2 3.18Å; C1926-I1989 HydrophobicContact CB-CG2 3.85Å; C1926-I1989 WeakPolarHBondContact O-CD1 3.44Å; C1926-I1989 VanDerWaalsContact O-CG1 3.23Å; C1926-I1989 WeakPolarHBondContact O-CG1 3.34Å; C1926-I1989 WeakPolarHBondContact O-CG2 3.45Å; I1989-W1992 PolarHBondContact O-N 2.71Å; I1989-A1993 PolarHBondContact O-N 2.99Å |
| 1990 | S | 77.7 | Confident | 64.8 | Low | 12 Ų | 12 | 45.3 Ų | 45.3 | 8% | 0.084 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.5 | -32.8 | 177.5 | 68.1 | 0 | 0 | 0 | 0 | 112.3 | W1966 S1988 A1993 C1994 | W1966-S1990 WeakPolarHBondContact O-CB 3.42Å; W1966-S1990 PolarHBondContact O-OG 2.97Å; S1988-S1990 PolarHBondContact O-N 3.33Å; S1988-S1990 PolarHBondContact OG-OG 3Å; S1990-A1993 PolarHBondContact O-N 3.38Å; S1990-C1994 WeakPolarHBondContact O-CB 3.46Å; S1990-C1994 PolarHBondContact O-N 3.38Å |
| 1991 | H | 80.6 | Confident | 67.9 | Low | 8 Ų | 8 | 42.8 Ų | 42.8 | 4% | 0.037 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 171.6 | -74.3 | 61.9 | 0 | 0 | 0 | 111.4 | Y1967 I1987 S1988 C1994 V1995 Y2086 V2161 | Y1967-H1991 AromaticContact CD2-CD2 3.72Å; Y1967-H1991 AromaticContact CD2-NE2 3.84Å; Y1967-H1991 AromaticContact CE2-CD2 3.76Å; Y1967-H1991 AromaticContact CE2-NE2 3.84Å; Y1967-H1991 PolarHBondContact O-CE1 3.14Å; Y1967-H1991 PolarHBondContact O-NE2 3.29Å; I1987-H1991 HydrophobicContact CG2-CB 3.72Å; S1988-H1991 WeakPolarHBondContact O-CB 3.3Å; S1988-H1991 PolarHBondContact O-N 2.97Å; S1988-H1991 VanDerWaalsContact O-N 3.1Å; S1988-H1991 PolarHBondContact OG-N 3.14Å; S1988-H1991 PolarHBondContact OG-ND1 2.87Å; H1991-C1994 WeakPolarHBondContact O-CB 3.05Å; H1991-C1994 PolarHBondContact O-N 3.08Å; H1991-V1995 WeakPolarHBondContact O-CG2 3.22Å; H1991-V1995 PolarHBondContact O-N 3.47Å; H1991-Y2086 HydrophobicContact CB-CE2 4.04Å; H1991-V2161 WeakPolarHBondContact NE2-CG2 3.15Å |
| 1992 | W | 82.6 | Confident | 70.8 | Confident | 33 Ų | 33 | 35.2 Ų | 35.2 | 13% | 0.125 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.1 | -36.1 | 174 | -78.8 | 105.7 | 0 | 0 | 0 | 113.1 | S1988 I1989 R1996 I2085 Y2086 L2089 | S1988-W1992 PolarHBondContact O-N 2.88Å; I1989-W1992 PolarHBondContact O-N 2.71Å; W1992-R1996 WeakPolarHBondContact O-CG 3.31Å; W1992-R1996 PolarHBondContact O-N 3.27Å; W1992-I2085 HydrophobicContact CH2-CB 4.42Å; W1992-I2085 HydrophobicContact CH2-CG2 3.99Å; W1992-I2085 HydrophobicContact CZ3-CG2 4.24Å; W1992-Y2086 HydrophobicContact CD2-CD2 4.17Å; W1992-Y2086 HydrophobicContact CE3-CD2 4.25Å; W1992-Y2086 HydrophobicContact CH2-CD2 4.37Å; W1992-Y2086 HydrophobicContact CZ2-CD2 4.26Å; W1992-Y2086 HydrophobicContact CZ3-CD2 4.36Å; W1992-L2089 HydrophobicContact CZ3-CD1 3.83Å |
| 1993 | A | 83.6 | Confident | 73.7 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.1 | -47.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | W1966 I1989 S1990 R1996 V1997 | W1966-A1993 HydrophobicContact CE3-CB 4.1Å; W1966-A1993 HydrophobicContact CZ3-CB 4.33Å; I1989-A1993 PolarHBondContact O-N 2.99Å; S1990-A1993 PolarHBondContact O-N 3.38Å; A1993-R1996 PolarHBondContact O-N 2.95Å; A1993-V1997 WeakPolarHBondContact O-CG2 3.32Å; A1993-V1997 PolarHBondContact O-N 2.79Å |
| 1994 | C | 86.7 | Confident | 76.3 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55.8 | -52.7 | 178.1 | 180 | 0 | 0 | 0 | 0 | 112.1 | V1963 S1990 H1991 R1996 V1997 L1998 | V1963-C1994 HydrophobicContact CG1-CB 4.26Å; V1963-C1994 VanDerWaalsContact CG1-SG 3.52Å; S1990-C1994 WeakPolarHBondContact O-CB 3.46Å; S1990-C1994 PolarHBondContact O-N 3.38Å; H1991-C1994 WeakPolarHBondContact O-CB 3.05Å; H1991-C1994 PolarHBondContact O-N 3.08Å; C1994-R1996 PolarHBondContact O-N 2.78Å; C1994-V1997 PolarHBondContact O-N 2.69Å; C1994-L1998 WeakPolarHBondContact O-CG 3.43Å; C1994-L1998 PolarHBondContact O-N 3.32Å; C1994-L1998 VanDerWaalsContact O-N 3.08Å |
| 1995 | V | 86.2 | Confident | 78.9 | Confident | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -54.6 | -52.5 | 177.9 | 168.5 | 0 | 0 | 0 | 0 | 111.6 | H1991 V1997 L1998 H1999 Y2086 L2089 W2090 | H1991-V1995 WeakPolarHBondContact O-CG2 3.22Å; H1991-V1995 PolarHBondContact O-N 3.47Å; V1995-V1997 VanDerWaalsContact C-N 3.33Å; V1995-V1997 PolarHBondContact O-N 3.34Å; V1995-L1998 PolarHBondContact O-N 3Å; V1995-H1999 VanDerWaalsContact O-CB 3.3Å; V1995-H1999 WeakPolarHBondContact O-CB 3.43Å; V1995-H1999 PolarHBondContact O-N 3.29Å; V1995-Y2086 HydrophobicContact CG2-CD2 3.98Å; V1995-Y2086 HydrophobicContact CG2-CE2 3.42Å; V1995-Y2086 VanDerWaalsContact CG2-CE2 3.42Å; V1995-L2089 HydrophobicContact CG1-CB 3.42Å; V1995-L2089 VanDerWaalsContact CG1-CB 3.42Å; V1995-L2089 HydrophobicContact CG1-CD1 3.83Å; V1995-L2089 HydrophobicContact CG1-CG 4.2Å; V1995-W2090 HydrophobicContact CG2-CD2 3.9Å; V1995-W2090 HydrophobicContact CG2-CG 4.31Å; V1995-W2090 HydrophobicContact CG2-CH2 4.39Å; V1995-W2090 HydrophobicContact CG2-CZ2 3.59Å; V1995-W2090 VanDerWaalsContact CG2-NE1 3.3Å |
| 1996 | R | 88.2 | Confident | 80.8 | Confident | 18 Ų | 18 | 26.2 Ų | 26.2 | 7% | 0.068 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.4 | -33.3 | -172.9 | -70.2 | 174.6 | -171.1 | 154.5 | 27.2 | 112.2 | K1934 E1938 A1941 W1992 A1993 C1994 A2000 | K1934-R1996 PolarHBondContact O-NH1 3.33Å; K1934-R1996 VanDerWaalsContact O-NH1 3.16Å; E1938-R1996 HydrophobicContact CG-CG 4.34Å; A1941-R1996 HydrophobicContact CB-CB 4.2Å; A1941-R1996 WeakPolarHBondContact CB-O 3.2Å; W1992-R1996 WeakPolarHBondContact O-CG 3.31Å; W1992-R1996 PolarHBondContact O-N 3.27Å; A1993-R1996 PolarHBondContact O-N 2.95Å; C1994-R1996 PolarHBondContact O-N 2.78Å; R1996-A2000 WeakPolarHBondContact O-CB 3.29Å; R1996-A2000 PolarHBondContact O-N 3.19Å |
| 1997 | V | 89.7 | Confident | 82.3 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.9 | -52.4 | 172.5 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | L1922 A1941 L1944 V1963 W1966 A1993 C1994 V1995 H1999 A2000 V2001 | L1922-V1997 HydrophobicContact CD1-CG2 3.8Å; L1922-V1997 HydrophobicContact CD2-CG2 4.42Å; A1941-V1997 HydrophobicContact CB-CG2 4.17Å; L1944-V1997 HydrophobicContact CD1-CG1 4.29Å; L1944-V1997 HydrophobicContact CD1-CG2 4.16Å; L1944-V1997 HydrophobicContact CD2-CG1 3.96Å; V1963-V1997 HydrophobicContact CG2-CB 4.47Å; V1963-V1997 HydrophobicContact CG2-CG1 3.92Å; W1966-V1997 HydrophobicContact CZ3-CG2 4.32Å; A1993-V1997 WeakPolarHBondContact O-CG2 3.32Å; A1993-V1997 PolarHBondContact O-N 2.79Å; C1994-V1997 PolarHBondContact O-N 2.69Å; V1995-V1997 VanDerWaalsContact C-N 3.33Å; V1995-V1997 PolarHBondContact O-N 3.34Å; V1997-H1999 PolarHBondContact O-N 3.46Å; V1997-A2000 PolarHBondContact O-N 3.39Å; V1997-V2001 HydrophobicContact CG1-CG2 4.41Å; V1997-V2001 VanDerWaalsContact O-CG2 3.32Å; V1997-V2001 WeakPolarHBondContact O-CG2 3.33Å; V1997-V2001 PolarHBondContact O-N 2.85Å |
| 1998 | L | 89 | Confident | 83.1 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.3 | -42.8 | -178 | -67.9 | 169.6 | 0 | 0 | 0 | 112.1 | F1960 V1963 C1994 V1995 V2001 A2002 L2009 L2019 I2020 W2090 | F1960-L1998 HydrophobicContact CD1-CD2 4.25Å; F1960-L1998 HydrophobicContact CE1-CD2 4.05Å; V1963-L1998 HydrophobicContact CG1-CD1 4.24Å; V1963-L1998 HydrophobicContact CG1-CD2 4.39Å; V1963-L1998 HydrophobicContact CG1-CG 4.17Å; C1994-L1998 WeakPolarHBondContact O-CG 3.43Å; C1994-L1998 PolarHBondContact O-N 3.32Å; C1994-L1998 VanDerWaalsContact O-N 3.08Å; V1995-L1998 PolarHBondContact O-N 3Å; L1998-V2001 PolarHBondContact O-N 2.69Å; L1998-A2002 WeakPolarHBondContact O-CB 3.43Å; L1998-A2002 PolarHBondContact O-N 3.05Å; L1998-L2009 HydrophobicContact CD2-CD2 4.06Å; L1998-L2019 HydrophobicContact CD1-CD2 4.03Å; L1998-L2019 HydrophobicContact CD1-CG 4.33Å; L1998-I2020 HydrophobicContact CD1-CG1 4.21Å; L1998-W2090 HydrophobicContact CD1-CH2 3.65Å; L1998-W2090 HydrophobicContact CD1-CZ3 3.6Å |
| 1999 | H | 88.7 | Confident | 83.4 | Confident | 44 Ų | 44 | 23.8 Ų | 23.8 | 20% | 0.204 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64 | -41.7 | 173.9 | -174.6 | -68.1 | 0 | 0 | 0 | 112.4 | V1995 V1997 V2001 A2002 H2003 E2092 C2093 | V1995-H1999 VanDerWaalsContact O-CB 3.3Å; V1995-H1999 WeakPolarHBondContact O-CB 3.43Å; V1995-H1999 PolarHBondContact O-N 3.29Å; V1997-H1999 PolarHBondContact O-N 3.46Å; H1999-V2001 VanDerWaalsContact C-N 3.34Å; H1999-V2001 PolarHBondContact O-N 3.36Å; H1999-A2002 PolarHBondContact O-N 3.4Å; H1999-H2003 PolarHBondContact O-N 3.19Å; H1999-H2003 VanDerWaalsContact O-N 3.09Å; H1999-E2092 IonicContact NE2-OE2 3.35Å; H1999-C2093 HydrophobicContact CB-CB 4.37Å |
| 2000 | A | 87.4 | Confident | 83.4 | Confident | 6 Ų | 6 | 22.5 Ų | 22.5 | 5% | 0.05 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.8 | -38.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1941 A1945 R1996 V1997 H2004 | A1941-A2000 HydrophobicContact CB-CB 3.84Å; A1941-A2000 WeakPolarHBondContact O-CB 3.46Å; A1945-A2000 HydrophobicContact CB-CB 4.08Å; A1945-A2000 WeakPolarHBondContact CB-O 3.41Å; R1996-A2000 WeakPolarHBondContact O-CB 3.29Å; R1996-A2000 PolarHBondContact O-N 3.19Å; V1997-A2000 PolarHBondContact O-N 3.39Å; A2000-H2004 WeakPolarHBondContact O-CB 3.13Å; A2000-H2004 PolarHBondContact O-N 3.23Å; A2000-H2004 VanDerWaalsContact O-N 3.15Å; A2000-H2004 PolarHBondContact O-ND1 3.41Å |
| 2001 | V | 88 | Confident | 83.4 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.7 | -44.5 | 175.2 | 178.8 | 0 | 0 | 0 | 0 | 111 | L1944 A1945 L1948 F1960 V1997 L1998 H1999 H2003 H2004 C2005 L2009 | L1944-V2001 HydrophobicContact CD2-CG2 4.25Å; A1945-V2001 HydrophobicContact CB-CG2 4.01Å; L1948-V2001 HydrophobicContact CD1-CG1 4.46Å; L1948-V2001 HydrophobicContact CD1-CG2 3.8Å; F1960-V2001 HydrophobicContact CZ-CG1 4.17Å; V1997-V2001 HydrophobicContact CG1-CG2 4.41Å; V1997-V2001 VanDerWaalsContact O-CG2 3.32Å; V1997-V2001 WeakPolarHBondContact O-CG2 3.33Å; V1997-V2001 PolarHBondContact O-N 2.85Å; L1998-V2001 PolarHBondContact O-N 2.69Å; H1999-V2001 VanDerWaalsContact C-N 3.34Å; H1999-V2001 PolarHBondContact O-N 3.36Å; V2001-H2003 VanDerWaalsContact C-N 3.28Å; V2001-H2003 PolarHBondContact O-N 3.18Å; V2001-H2004 PolarHBondContact O-N 2.87Å; V2001-C2005 CarbonylContact O-C 3Å; V2001-C2005 WeakPolarHBondContact O-CA 3.27Å; V2001-C2005 PolarHBondContact O-N 3.48Å; V2001-L2009 HydrophobicContact CB-CD2 4.27Å; V2001-L2009 HydrophobicContact CB-CG 4.39Å; V2001-L2009 HydrophobicContact CG1-CD1 4.29Å; V2001-L2009 HydrophobicContact CG1-CD2 3.82Å; V2001-L2009 HydrophobicContact CG1-CG 3.69Å |
| 2002 | A | 83.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -55.4 | -43 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1998 H1999 P2006 L2009 E2096 | L1998-A2002 WeakPolarHBondContact O-CB 3.43Å; L1998-A2002 PolarHBondContact O-N 3.05Å; H1999-A2002 PolarHBondContact O-N 3.4Å; A2002-P2006 WeakPolarHBondContact O-CD 3.46Å; A2002-L2009 HydrophobicContact CB-CD1 3.72Å; A2002-E2096 HydrophobicContact CB-CB 4.16Å |
| 2003 | H | 82.6 | Confident | 83 | Confident | 86 Ų | 86 | 24.6 Ų | 24.6 | 40% | 0.398 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -70.9 | -35.3 | -179.9 | -175.7 | -82.9 | 0 | 0 | 0 | 113.9 | H1999 V2001 E2096 R2100 | H1999-H2003 PolarHBondContact O-N 3.19Å; H1999-H2003 VanDerWaalsContact O-N 3.09Å; V2001-H2003 VanDerWaalsContact C-N 3.28Å; V2001-H2003 PolarHBondContact O-N 3.18Å; H2003-E2096 VanDerWaalsContact CA-OE2 3.25Å; H2003-E2096 WeakPolarHBondContact CA-OE2 3.32Å; H2003-E2096 WeakPolarHBondContact CB-OE2 3.41Å; H2003-E2096 IonicContact CD2-OE1 2.69Å; H2003-E2096 PolarHBondContact CD2-OE1 3.14Å; H2003-E2096 VanDerWaalsContact CD2-OE1 3.3Å; H2003-E2096 IonicContact CG-OE1 3.98Å; H2003-E2096 PolarHBondContact N-OE2 3.37Å; H2003-E2096 VanDerWaalsContact N-OE2 3.07Å; H2003-R2100 PolarHBondContact CD2-NH2 2.67Å; H2003-R2100 VanDerWaalsContact CD2-NH2 3.35Å; H2003-R2100 PolarHBondContact O-NH1 3.45Å |
| 2004 | H | 81 | Confident | 82.5 | Confident | 76 Ų | 76 | 25.9 Ų | 25.9 | 35% | 0.352 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -106.4 | -29.7 | -169.5 | -63.1 | 76.1 | 0 | 0 | 0 | 114.9 | A1945 A2000 V2001 | A1945-H2004 HydrophobicContact CB-CB 4.06Å; A2000-H2004 WeakPolarHBondContact O-CB 3.13Å; A2000-H2004 PolarHBondContact O-N 3.23Å; A2000-H2004 VanDerWaalsContact O-N 3.15Å; A2000-H2004 PolarHBondContact O-ND1 3.41Å; V2001-H2004 PolarHBondContact O-N 2.87Å |
| 2005 | C | 82.7 | Confident | 82.1 | Confident | 6 Ų | 6 | 27.3 Ų | 27.3 | 4% | 0.041 | 15% | 0.149 | C | C | . | . | trans | -155.1 | 58.6 | -173.2 | 47.2 | 0 | 0 | 0 | 0 | 112 | A1945 V2001 D2007 L2008 | A1945-C2005 PolarHBondContact O-SG 3.35Å; V2001-C2005 CarbonylContact O-C 3Å; V2001-C2005 WeakPolarHBondContact O-CA 3.27Å; V2001-C2005 PolarHBondContact O-N 3.48Å; C2005-D2007 PolarHBondContact O-N 3.35Å; C2005-D2007 VanDerWaalsContact O-N 3.16Å; C2005-L2008 HydrophobicContact CB-CD1 4.18Å; C2005-L2008 HydrophobicContact CB-CG 4.49Å; C2005-L2008 PolarHBondContact O-N 2.73Å | ||
| 2006 | P | 80.3 | Confident | 81.9 | Confident | 13 Ų | 13 | 27.3 Ų | 27.3 | 8% | 0.084 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -28.8 | -176.7 | 25.7 | -34.4 | 0 | 0 | 0 | 113 | A2002 L2008 L2009 Y2010 R2100 | A2002-P2006 WeakPolarHBondContact O-CD 3.46Å; P2006-L2008 PolarHBondContact O-N 2.95Å; P2006-L2008 VanDerWaalsContact O-N 3.08Å; P2006-L2009 WeakPolarHBondContact O-CB 3.36Å; P2006-L2009 PolarHBondContact O-N 2.94Å; P2006-Y2010 WeakPolarHBondContact O-CD2 3.24Å; P2006-Y2010 PolarHBondContact O-N 3.38Å; P2006-R2100 HydrophobicContact CG-CB 4.48Å |
| 2007 | D | 79 | Confident | 81.7 | Confident | 85 Ų | 85 | 26.6 Ų | 26.6 | 46% | 0.455 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -48.8 | -34.9 | 173.9 | -39 | -33.1 | 0 | 0 | 0 | 112.6 | C2005 Y2010 A2011 | C2005-D2007 PolarHBondContact O-N 3.35Å; C2005-D2007 VanDerWaalsContact O-N 3.16Å; D2007-Y2010 PolarHBondContact O-N 3.43Å; D2007-A2011 PolarHBondContact O-N 2.91Å |
| 2008 | L | 81.1 | Confident | 81.3 | Confident | 40 Ų | 40 | 26.7 Ų | 26.7 | 21% | 0.209 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -81.5 | -21.6 | 179.3 | -62.9 | 178.6 | 0 | 0 | 0 | 113.9 | L1948 C2005 P2006 Y2010 H2012 | L1948-L2008 HydrophobicContact CB-CD1 3.65Å; L1948-L2008 HydrophobicContact CD1-CD1 4.35Å; C2005-L2008 HydrophobicContact CB-CD1 4.18Å; C2005-L2008 HydrophobicContact CB-CG 4.49Å; C2005-L2008 PolarHBondContact O-N 2.73Å; P2006-L2008 PolarHBondContact O-N 2.95Å; P2006-L2008 VanDerWaalsContact O-N 3.08Å; L2008-Y2010 VanDerWaalsContact C-N 3.32Å; L2008-H2012 PolarHBondContact O-N 2.85Å |
| 2009 | L | 78.7 | Confident | 80.9 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -70.7 | -35 | 167.4 | -66.1 | 174.8 | 0 | 0 | 0 | 110.3 | F1960 L1998 V2001 A2002 P2006 H2012 A2013 T2016 L2097 | F1960-L2009 HydrophobicContact CE1-CD2 3.73Å; F1960-L2009 HydrophobicContact CZ-CD2 3.73Å; L1998-L2009 HydrophobicContact CD2-CD2 4.06Å; V2001-L2009 HydrophobicContact CB-CD2 4.27Å; V2001-L2009 HydrophobicContact CB-CG 4.39Å; V2001-L2009 HydrophobicContact CG1-CD1 4.29Å; V2001-L2009 HydrophobicContact CG1-CD2 3.82Å; V2001-L2009 HydrophobicContact CG1-CG 3.69Å; A2002-L2009 HydrophobicContact CB-CD1 3.72Å; P2006-L2009 WeakPolarHBondContact O-CB 3.36Å; P2006-L2009 PolarHBondContact O-N 2.94Å; L2009-H2012 CarbonylContact O-C 3.54Å; L2009-A2013 WeakPolarHBondContact O-CA 3.3Å; L2009-A2013 PolarHBondContact O-N 3.02Å; L2009-T2016 HydrophobicContact CD2-CG2 3.78Å; L2009-T2016 PolarHBondContact O-OG1 3.49Å; L2009-L2097 HydrophobicContact CB-CD2 3.99Å; L2009-L2097 HydrophobicContact CD1-CD1 4.33Å; L2009-L2097 HydrophobicContact CD1-CD2 3.81Å; L2009-L2097 HydrophobicContact CD1-CG 4.18Å |
| 2010 | Y | 75 | Confident | 80.7 | Confident | 42 Ų | 42 | 24.8 Ų | 24.8 | 17% | 0.165 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -73.4 | -43.7 | 176.4 | -68 | -53.9 | 0 | 0 | 0 | 112.8 | P2006 D2007 L2008 H2012 A2013 L2097 P2102 W2114 | P2006-Y2010 WeakPolarHBondContact O-CD2 3.24Å; P2006-Y2010 PolarHBondContact O-N 3.38Å; D2007-Y2010 PolarHBondContact O-N 3.43Å; L2008-Y2010 VanDerWaalsContact C-N 3.32Å; Y2010-H2012 PolarHBondContact O-N 2.96Å; Y2010-A2013 WeakPolarHBondContact O-CB 3.14Å; Y2010-A2013 PolarHBondContact O-N 3Å; Y2010-A2013 VanDerWaalsContact O-N 3.08Å; Y2010-L2097 HydrophobicContact CE1-CD2 3.85Å; Y2010-L2097 HydrophobicContact CE2-CD2 4.04Å; Y2010-L2097 VanDerWaalsContact OH-C 3.32Å; Y2010-L2097 PolarHBondContact OH-O 2.95Å; Y2010-P2102 HydrophobicContact CD2-CG 4.5Å; Y2010-W2114 AromaticContact CD1-CH2 3.9Å; Y2010-W2114 HydrophobicContact CD1-CH2 3.9Å; Y2010-W2114 HydrophobicContact CD1-CZ3 4.32Å; Y2010-W2114 AromaticContact CE1-CH2 3.41Å; Y2010-W2114 HydrophobicContact CE1-CH2 3.41Å; Y2010-W2114 VanDerWaalsContact CE1-CH2 3.41Å; Y2010-W2114 HydrophobicContact CE1-CZ2 4.25Å; Y2010-W2114 HydrophobicContact CE1-CZ3 4.05Å |
| 2011 | A | 76.8 | Confident | 80.4 | Confident | 60 Ų | 60 | 25 Ų | 25 | 50% | 0.496 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -56.4 | -23.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D2007 | D2007-A2011 PolarHBondContact O-N 2.91Å |
| 2012 | H | 78.2 | Confident | 80 | Confident | 19 Ų | 19 | 25 Ų | 25 | 9% | 0.088 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | 32 | 177.4 | -57.6 | -44.8 | 0 | 0 | 0 | 113 | T1957 F1960 L2008 L2009 Y2010 C2014 I2015 T2016 | T1957-H2012 VanDerWaalsContact CG2-CE1 3.45Å; T1957-H2012 WeakPolarHBondContact CG2-CE1 3.25Å; F1960-H2012 HydrophobicContact CD2-CB 3.86Å; F1960-H2012 AromaticContact CD2-CD2 3.69Å; F1960-H2012 HydrophobicContact CE2-CB 4.2Å; F1960-H2012 AromaticContact CE2-CD2 3.73Å; L2008-H2012 PolarHBondContact O-N 2.85Å; L2009-H2012 CarbonylContact O-C 3.54Å; Y2010-H2012 PolarHBondContact O-N 2.96Å; H2012-C2014 PolarHBondContact O-N 3.17Å; H2012-I2015 PolarHBondContact O-N 3.3Å; H2012-T2016 HydrophobicContact CB-CG2 4.45Å; H2012-T2016 PolarHBondContact O-N 3.27Å; H2012-T2016 VanDerWaalsContact O-N 3.16Å; H2012-T2016 PolarHBondContact O-OG1 3.37Å |
| 2013 | A | 76.8 | Confident | 79.5 | Confident | 19 Ų | 19 | 25.1 Ų | 25.1 | 16% | 0.157 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -49.3 | -36.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L2009 Y2010 I2015 T2016 L2017 P2018 | L2009-A2013 WeakPolarHBondContact O-CA 3.3Å; L2009-A2013 PolarHBondContact O-N 3.02Å; Y2010-A2013 WeakPolarHBondContact O-CB 3.14Å; Y2010-A2013 PolarHBondContact O-N 3Å; Y2010-A2013 VanDerWaalsContact O-N 3.08Å; A2013-I2015 PolarHBondContact O-N 2.92Å; A2013-T2016 WeakPolarHBondContact CA-OG1 3.25Å; A2013-T2016 PolarHBondContact O-N 3.12Å; A2013-L2017 HydrophobicContact CB-CD1 3.85Å; A2013-L2017 HydrophobicContact CB-CG 4.12Å; A2013-L2017 WeakPolarHBondContact O-CB 3.32Å; A2013-L2017 PolarHBondContact O-N 3.13Å; A2013-P2018 WeakPolarHBondContact O-CD 3.49Å |
| 2014 | C | 73.7 | Confident | 79.1 | Confident | 27 Ų | 27 | 23.7 Ų | 23.7 | 18% | 0.182 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62 | -25.9 | 179.4 | -56.8 | 0 | 0 | 0 | 0 | 113.8 | H2012 P2018 H2144 | H2012-C2014 PolarHBondContact O-N 3.17Å; C2014-P2018 WeakPolarHBondContact O-CG 3.44Å; C2014-H2144 WeakPolarHBondContact O-CB 3.35Å; C2014-H2144 PolarHBondContact O-CD2 3.45Å |
| 2015 | I | 77.5 | Confident | 78.3 | Confident | 30 Ų | 30 | 21 Ų | 21 | 15% | 0.154 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -99.7 | -37.6 | 179.1 | -56 | 163.1 | 0 | 0 | 0 | 110.4 | F1960 H2012 A2013 | F1960-I2015 HydrophobicContact CB-CG2 3.97Å; H2012-I2015 PolarHBondContact O-N 3.3Å; A2013-I2015 PolarHBondContact O-N 2.92Å |
| 2016 | T | 83 | Confident | 77.3 | Confident | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.012 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -84.2 | -46.8 | -170.4 | 57.6 | 0 | 0 | 0 | 0 | 112.9 | F1960 L2009 H2012 A2013 L2019 I2020 | F1960-T2016 HydrophobicContact CD1-CG2 3.66Å; F1960-T2016 HydrophobicContact CD2-CG2 4.09Å; F1960-T2016 HydrophobicContact CE1-CG2 3.8Å; F1960-T2016 HydrophobicContact CE2-CG2 4.18Å; F1960-T2016 HydrophobicContact CG-CG2 3.83Å; F1960-T2016 HydrophobicContact CZ-CG2 4.07Å; L2009-T2016 HydrophobicContact CD2-CG2 3.78Å; L2009-T2016 PolarHBondContact O-OG1 3.49Å; H2012-T2016 HydrophobicContact CB-CG2 4.45Å; H2012-T2016 PolarHBondContact O-N 3.27Å; H2012-T2016 VanDerWaalsContact O-N 3.16Å; H2012-T2016 PolarHBondContact O-OG1 3.37Å; A2013-T2016 WeakPolarHBondContact CA-OG1 3.25Å; A2013-T2016 PolarHBondContact O-N 3.12Å; T2016-L2019 PolarHBondContact O-N 3.35Å; T2016-I2020 WeakPolarHBondContact O-CD1 3.44Å; T2016-I2020 VanDerWaalsContact O-CG1 3.3Å; T2016-I2020 WeakPolarHBondContact O-CG1 3.33Å; T2016-I2020 PolarHBondContact O-N 2.9Å |
| 2017 | L | 82.5 | Confident | 76 | Confident | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.7 | -42 | -174.5 | -63.4 | -177.6 | 0 | 0 | 0 | 113.4 | A2013 L2019 I2020 F2021 L2097 W2114 L2132 F2136 | A2013-L2017 HydrophobicContact CB-CD1 3.85Å; A2013-L2017 HydrophobicContact CB-CG 4.12Å; A2013-L2017 WeakPolarHBondContact O-CB 3.32Å; A2013-L2017 PolarHBondContact O-N 3.13Å; L2017-L2019 VanDerWaalsContact C-N 3.29Å; L2017-L2019 PolarHBondContact O-N 3.45Å; L2017-I2020 PolarHBondContact O-N 3.25Å; L2017-F2021 WeakPolarHBondContact O-CB 3.13Å; L2017-F2021 PolarHBondContact O-N 3.06Å; L2017-L2097 HydrophobicContact CD2-CD1 4.03Å; L2017-W2114 HydrophobicContact CD1-CZ2 4.49Å; L2017-L2132 HydrophobicContact CD1-CD2 4.21Å; L2017-F2136 HydrophobicContact CB-CE1 4Å; L2017-F2136 HydrophobicContact CB-CZ 3.89Å |
| 2018 | P | 81.3 | Confident | 74.6 | Confident | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.013 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.6 | -37.7 | 176.8 | -25.3 | 36 | 0 | 0 | 0 | 112.8 | A2013 C2014 F2021 L2022 F2136 H2144 C2145 L2148 | A2013-P2018 WeakPolarHBondContact O-CD 3.49Å; C2014-P2018 WeakPolarHBondContact O-CG 3.44Å; P2018-F2021 PolarHBondContact O-N 2.74Å; P2018-L2022 VanDerWaalsContact O-CB 3.3Å; P2018-L2022 WeakPolarHBondContact O-CB 3.23Å; P2018-L2022 PolarHBondContact O-N 3.13Å; P2018-F2136 HydrophobicContact CB-CE1 4.34Å; P2018-F2136 HydrophobicContact CG-CD1 4.49Å; P2018-F2136 HydrophobicContact CG-CE1 4.04Å; P2018-H2144 HydrophobicContact CG-CB 4.42Å; P2018-C2145 HydrophobicContact CB-CB 3.93Å; P2018-C2145 HydrophobicContact CG-CB 4.19Å; P2018-L2148 VanDerWaalsContact C-CD2 3.49Å; P2018-L2148 HydrophobicContact CB-CD2 3.89Å; P2018-L2148 WeakPolarHBondContact O-CD2 3.45Å |
| 2019 | L | 82.1 | Confident | 72.9 | Confident | 4 Ų | 4 | 29.6 Ų | 29.6 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.3 | -36 | 179.9 | -177.1 | 58.7 | 0 | 0 | 0 | 112.4 | V1963 Y1967 L1998 T2016 L2017 S2023 L2148 | V1963-L2019 HydrophobicContact CG1-CD2 4.14Å; Y1967-L2019 HydrophobicContact CD1-CD1 3.67Å; Y1967-L2019 HydrophobicContact CD2-CD1 4.18Å; Y1967-L2019 HydrophobicContact CE1-CD1 4.27Å; Y1967-L2019 HydrophobicContact CG-CD1 3.62Å; L1998-L2019 HydrophobicContact CD1-CD2 4.03Å; L1998-L2019 HydrophobicContact CD1-CG 4.33Å; T2016-L2019 PolarHBondContact O-N 3.35Å; L2017-L2019 VanDerWaalsContact C-N 3.29Å; L2017-L2019 PolarHBondContact O-N 3.45Å; L2019-S2023 WeakPolarHBondContact O-CB 3.48Å; L2019-S2023 PolarHBondContact O-N 3.2Å; L2019-S2023 PolarHBondContact O-OG 2.96Å; L2019-L2148 HydrophobicContact CB-CD2 4.31Å; L2019-L2148 HydrophobicContact CD1-CD1 4.43Å; L2019-L2148 HydrophobicContact CD1-CD2 4.5Å |
| 2020 | I | 82.5 | Confident | 71.3 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -77.7 | -35.8 | 175.8 | -54.4 | 159.8 | 0 | 0 | 0 | 110.8 | L1998 T2016 L2017 S2023 K2024 W2090 W2094 L2097 | L1998-I2020 HydrophobicContact CD1-CG1 4.21Å; T2016-I2020 WeakPolarHBondContact O-CD1 3.44Å; T2016-I2020 VanDerWaalsContact O-CG1 3.3Å; T2016-I2020 WeakPolarHBondContact O-CG1 3.33Å; T2016-I2020 PolarHBondContact O-N 2.9Å; L2017-I2020 PolarHBondContact O-N 3.25Å; I2020-S2023 PolarHBondContact O-OG 3.08Å; I2020-K2024 VanDerWaalsContact O-CB 3.29Å; I2020-K2024 WeakPolarHBondContact O-CB 3.49Å; I2020-K2024 PolarHBondContact O-N 3.28Å; I2020-K2024 VanDerWaalsContact O-N 3.16Å; I2020-W2090 HydrophobicContact CB-CZ3 4.28Å; I2020-W2090 HydrophobicContact CG1-CZ3 3.96Å; I2020-W2090 HydrophobicContact CG2-CE3 4.12Å; I2020-W2090 HydrophobicContact CG2-CZ3 4.33Å; I2020-W2094 HydrophobicContact CB-CE3 4.46Å; I2020-W2094 HydrophobicContact CG2-CB 4.31Å; I2020-W2094 HydrophobicContact CG2-CE3 3.83Å; I2020-L2097 HydrophobicContact CD1-CD1 3.58Å |
| 2021 | F | 81.2 | Confident | 69.9 | Low | 10 Ų | 10 | 32.2 Ų | 32.2 | 4% | 0.044 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.8 | -40.5 | 176.1 | 171.5 | -104.7 | 0 | 0 | 0 | 112.7 | L2017 P2018 Q2025 W2094 F2136 A2168 Q2171 L2172 | L2017-F2021 WeakPolarHBondContact O-CB 3.13Å; L2017-F2021 PolarHBondContact O-N 3.06Å; P2018-F2021 PolarHBondContact O-N 2.74Å; F2021-Q2025 PolarHBondContact O-NE2 3.15Å; F2021-W2094 HydrophobicContact CB-CZ3 4.26Å; F2021-F2136 HydrophobicContact CB-CE1 4.13Å; F2021-F2136 HydrophobicContact CB-CE2 3.86Å; F2021-F2136 HydrophobicContact CB-CZ 3.56Å; F2021-F2136 HydrophobicContact CD2-CD2 4.28Å; F2021-F2136 AromaticContact CD2-CE2 3.97Å; F2021-F2136 HydrophobicContact CD2-CE2 3.97Å; F2021-F2136 HydrophobicContact CG-CD2 4.22Å; F2021-F2136 AromaticContact CG-CE2 3.86Å; F2021-F2136 HydrophobicContact CG-CE2 3.86Å; F2021-F2136 HydrophobicContact CG-CZ 4.02Å; F2021-A2168 HydrophobicContact CE1-CB 4.05Å; F2021-Q2171 HydrophobicContact CZ-CB 4.44Å; F2021-L2172 HydrophobicContact CE1-CD1 4.34Å; F2021-L2172 HydrophobicContact CE1-CD2 4.17Å; F2021-L2172 HydrophobicContact CE1-CG 4.14Å; F2021-L2172 HydrophobicContact CZ-CD2 4.17Å; F2021-L2172 HydrophobicContact CZ-CG 4.26Å |
| 2022 | L | 79.8 | Confident | 68.3 | Low | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.8 | -43.2 | 176.9 | 173.6 | 57.1 | 0 | 0 | 0 | 112.2 | Y1967 P2018 Q2025 L2148 L2149 A2152 Q2164 A2165 A2168 | Y1967-L2022 HydrophobicContact CE1-CD2 3.56Å; Y1967-L2022 HydrophobicContact CE1-CG 4.25Å; P2018-L2022 VanDerWaalsContact O-CB 3.3Å; P2018-L2022 WeakPolarHBondContact O-CB 3.23Å; P2018-L2022 PolarHBondContact O-N 3.13Å; L2022-Q2025 WeakPolarHBondContact O-CG 3.47Å; L2022-L2148 HydrophobicContact CB-CD2 4.16Å; L2022-L2148 HydrophobicContact CD2-CD2 3.68Å; L2022-L2148 HydrophobicContact CD2-CG 4Å; L2022-L2149 HydrophobicContact CD1-CD2 3.87Å; L2022-A2152 HydrophobicContact CD2-CB 4.24Å; L2022-Q2164 HydrophobicContact CD1-CB 4.12Å; L2022-A2165 HydrophobicContact CD1-CB 3.89Å; L2022-A2168 HydrophobicContact CD1-CB 4.06Å |
| 2023 | S | 73.5 | Confident | 66.6 | Low | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -89.9 | -21.1 | -168 | 63.2 | 0 | 0 | 0 | 0 | 114.9 | L2019 I2020 Q2025 W2090 Q2164 | L2019-S2023 WeakPolarHBondContact O-CB 3.48Å; L2019-S2023 PolarHBondContact O-N 3.2Å; L2019-S2023 PolarHBondContact O-OG 2.96Å; I2020-S2023 PolarHBondContact O-OG 3.08Å; S2023-Q2025 PolarHBondContact O-N 3.16Å; S2023-W2090 WeakPolarHBondContact OG-CH2 3.41Å; S2023-W2090 WeakPolarHBondContact OG-CZ2 3.24Å; S2023-W2090 WeakPolarHBondContact OG-CZ3 3.44Å; S2023-Q2164 PolarHBondContact O-NE2 3.32Å |
| 2024 | K | 74.2 | Confident | 65.1 | Low | 56 Ų | 56 | 39.5 Ų | 39.5 | 24% | 0.243 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -20.2 | 174.4 | 177.4 | 178 | 178.3 | -176.1 | 0 | 113.8 | I2020 W2094 | I2020-K2024 VanDerWaalsContact O-CB 3.29Å; I2020-K2024 WeakPolarHBondContact O-CB 3.49Å; I2020-K2024 PolarHBondContact O-N 3.28Å; I2020-K2024 VanDerWaalsContact O-N 3.16Å; K2024-W2094 HydrophobicContact CD-CB 4.12Å; K2024-W2094 HydrophobicContact CD-CD2 3.88Å; K2024-W2094 HydrophobicContact CD-CE3 4.38Å; K2024-W2094 HydrophobicContact CD-CG 3.74Å |
| 2025 | Q | 65.2 | Low | 63.2 | Low | 20 Ų | 20 | 40.7 Ų | 40.7 | 9% | 0.093 | 22% | 0.215 | C | C | . | . | trans | -60.9 | 135 | -161.2 | -64.7 | -60.7 | -18.2 | 0 | 0 | 114.9 | F2021 L2022 S2023 F2167 A2168 Q2171 | F2021-Q2025 PolarHBondContact O-NE2 3.15Å; L2022-Q2025 WeakPolarHBondContact O-CG 3.47Å; S2023-Q2025 PolarHBondContact O-N 3.16Å; Q2025-F2167 HydrophobicContact CB-CD1 3.78Å; Q2025-F2167 HydrophobicContact CB-CE1 4.36Å; Q2025-F2167 HydrophobicContact CG-CD1 4.13Å; Q2025-F2167 VanDerWaalsContact OE1-CD1 3.28Å; Q2025-A2168 HydrophobicContact CG-CB 4.33Å; Q2025-Q2171 VanDerWaalsContact NE2-OE1 3.07Å | ||
| 2026 | V | 60.2 | Low | 61 | Low | 38 Ų | 38 | 43.1 Ų | 43.1 | 23% | 0.23 | 23% | 0.234 | C | C | . | . | trans | -131.9 | 124.8 | -179 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | S2028 F2167 | V2026-S2028 VanDerWaalsContact C-N 3.3Å; V2026-S2028 PolarHBondContact O-N 3.35Å; V2026-F2167 WeakPolarHBondContact O-CE1 3.27Å; V2026-F2167 WeakPolarHBondContact O-CZ 3.43Å | ||
| 2027 | E | 53.4 | Low | 58.7 | Low | 103 Ų | 103 | 49.6 Ų | 49.6 | 48% | 0.481 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.6 | -37.3 | -170.6 | -64.3 | 172.8 | 167.8 | 0 | 0 | 113.8 | E2029 V2030 F2167 | E2027-E2029 PolarHBondContact O-N 3.4Å; E2027-V2030 PolarHBondContact O-N 2.88Å; E2027-F2167 HydrophobicContact CB-CE2 4.42Å |
| 2028 | S | 49.3 | Very low | 56.4 | Low | 72 Ų | 72 | 51.7 Ų | 51.7 | 50% | 0.503 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.4 | -23.6 | -168.6 | 58.2 | 0 | 0 | 0 | 0 | 116.1 | V2026 N2032 | V2026-S2028 VanDerWaalsContact C-N 3.3Å; V2026-S2028 PolarHBondContact O-N 3.35Å; S2028-N2032 PolarHBondContact O-ND2 3.39Å |
| 2029 | E | 46.9 | Very low | 53.8 | Low | 111 Ų | 111 | 55 Ų | 55 | 52% | 0.519 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -73.6 | -36.7 | -178.4 | -67.1 | -166.8 | 160.3 | 0 | 0 | 112.1 | E2027 | E2027-E2029 PolarHBondContact O-N 3.4Å |
| 2030 | V | 45.3 | Very low | 51.3 | Low | 5 Ų | 5 | 59.6 Ų | 59.6 | 3% | 0.03 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -86.5 | -31.4 | -173.6 | 179.3 | 0 | 0 | 0 | 0 | 112.3 | E2027 N2032 L2033 V2034 F2167 L2170 Q2171 | E2027-V2030 PolarHBondContact O-N 2.88Å; V2030-N2032 PolarHBondContact O-N 3.06Å; V2030-L2033 PolarHBondContact O-N 3.04Å; V2030-V2034 HydrophobicContact CG1-CG2 4.03Å; V2030-V2034 PolarHBondContact O-N 3.39Å; V2030-V2034 VanDerWaalsContact O-N 3.13Å; V2030-F2167 HydrophobicContact CB-CE1 4.41Å; V2030-F2167 HydrophobicContact CB-CE2 3.83Å; V2030-F2167 HydrophobicContact CB-CZ 3.52Å; V2030-F2167 HydrophobicContact CG2-CE1 3.73Å; V2030-F2167 HydrophobicContact CG2-CE2 4.06Å; V2030-F2167 HydrophobicContact CG2-CZ 3.31Å; V2030-L2170 HydrophobicContact CG1-CD2 3.8Å; V2030-L2170 HydrophobicContact CG1-CG 4.07Å; V2030-Q2171 HydrophobicContact CG2-CG 3.9Å |
| 2031 | E | 45.2 | Very low | 48.6 | Very low | 92 Ų | 92 | 63 Ų | 63 | 43% | 0.43 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.2 | -19.6 | 175.7 | -64.3 | -140.8 | 122.5 | 0 | 0 | 113.4 | P2035 R2323 | E2031-P2035 WeakPolarHBondContact O-CD 3.32Å; E2031-P2035 VanDerWaalsContact O-CG 3.27Å; E2031-P2035 WeakPolarHBondContact O-CG 3.46Å; E2031-R2323 IonicContact OE1-CZ 3.32Å; E2031-R2323 IonicContact OE1-NH1 3.4Å; E2031-R2323 PolarHBondContact OE1-NH1 3.44Å; E2031-R2323 IonicContact OE1-NH2 2.7Å |
| 2032 | N | 43.6 | Very low | 46.1 | Very low | 127 Ų | 127 | 67.6 Ų | 67.6 | 68% | 0.679 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -82.8 | -26.9 | 170.6 | -74.6 | -75.7 | 0 | 0 | 0 | 113.2 | S2028 V2030 | S2028-N2032 PolarHBondContact O-ND2 3.39Å; V2030-N2032 PolarHBondContact O-N 3.06Å |
| 2033 | L | 41.2 | Very low | 43.5 | Very low | 97 Ų | 97 | 73.5 Ų | 73.5 | 51% | 0.508 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -78.5 | -47.1 | -178.9 | -76.9 | 164.4 | 0 | 0 | 0 | 112 | V2030 S2036 | V2030-L2033 PolarHBondContact O-N 3.04Å; L2033-S2036 WeakPolarHBondContact O-CB 3.12Å; L2033-S2036 PolarHBondContact O-N 3.25Å; L2033-S2036 VanDerWaalsContact O-N 3.13Å; L2033-S2036 PolarHBondContact O-OG 3.48Å |
| 2034 | V | 45.5 | Very low | 41 | Very low | 27 Ų | 27 | 82.8 Ų | 82.8 | 16% | 0.164 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -58.6 | -44.7 | -173.6 | 178.4 | 0 | 0 | 0 | 0 | 113.2 | V2030 S2036 T2038 | V2030-V2034 HydrophobicContact CG1-CG2 4.03Å; V2030-V2034 PolarHBondContact O-N 3.39Å; V2030-V2034 VanDerWaalsContact O-N 3.13Å; V2034-S2036 VanDerWaalsContact C-N 3.28Å; V2034-S2036 PolarHBondContact O-N 3.1Å; V2034-T2038 WeakPolarHBondContact O-CG2 3.26Å |
| 2035 | P | 34.3 | Very low | 38.5 | Very low | 53 Ų | 53 | 85.3 Ų | 85.3 | 34% | 0.344 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.2 | -28.6 | 178.2 | -22.8 | 35.2 | 0 | 0 | 0 | 113.8 | E2031 R2037 T2038 | E2031-P2035 WeakPolarHBondContact O-CD 3.32Å; E2031-P2035 VanDerWaalsContact O-CG 3.27Å; E2031-P2035 WeakPolarHBondContact O-CG 3.46Å; P2035-R2037 PolarHBondContact O-N 3.4Å; P2035-T2038 WeakPolarHBondContact O-CB 3.26Å; P2035-T2038 WeakPolarHBondContact O-CG2 3.46Å; P2035-T2038 PolarHBondContact O-N 3Å; P2035-T2038 PolarHBondContact O-OG1 2.6Å |
| 2036 | S | 31.7 | Very low | 36.3 | Very low | 80 Ų | 80 | 94 Ų | 94 | 56% | 0.559 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.4 | -34.2 | -167.7 | 71.8 | 0 | 0 | 0 | 0 | 114.5 | L2033 V2034 | L2033-S2036 WeakPolarHBondContact O-CB 3.12Å; L2033-S2036 PolarHBondContact O-N 3.25Å; L2033-S2036 VanDerWaalsContact O-N 3.13Å; L2033-S2036 PolarHBondContact O-OG 3.48Å; V2034-S2036 VanDerWaalsContact C-N 3.28Å; V2034-S2036 PolarHBondContact O-N 3.1Å |
| 2037 | R | 34 | Very low | 34.4 | Very low | 138 Ų | 138 | 97.5 Ų | 97.5 | 52% | 0.521 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -12 | 174.9 | -76.4 | -169.8 | 176.2 | -173.5 | 3.4 | 114 | P2035 S2039 S2040 | P2035-R2037 PolarHBondContact O-N 3.4Å; R2037-S2039 PolarHBondContact O-N 3.07Å; R2037-S2040 PolarHBondContact O-N 2.87Å |
| 2038 | T | 33 | Very low | 32.8 | Very low | 47 Ų | 47 | 101.3 Ų | 101.3 | 29% | 0.288 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -10.4 | -174 | 68.1 | 0 | 0 | 0 | 0 | 114.6 | V2034 P2035 R2463 | V2034-T2038 WeakPolarHBondContact O-CG2 3.26Å; P2035-T2038 WeakPolarHBondContact O-CB 3.26Å; P2035-T2038 WeakPolarHBondContact O-CG2 3.46Å; P2035-T2038 PolarHBondContact O-N 3Å; P2035-T2038 PolarHBondContact O-OG1 2.6Å; T2038-R2463 PolarHBondContact O-NH1 3.46Å; T2038-R2463 PolarHBondContact O-NH2 3.36Å |
| 2039 | S | 28.6 | Very low | 31.4 | Very low | 71 Ų | 71 | 105.7 Ų | 105.7 | 50% | 0.497 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.3 | -2.6 | 179.1 | -63 | 0 | 0 | 0 | 0 | 114.5 | R2037 | R2037-S2039 PolarHBondContact O-N 3.07Š|
| 2040 | S | 28.5 | Very low | 30.2 | Very low | 101 Ų | 101 | 106.6 Ų | 106.6 | 71% | 0.706 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.5 | 6.8 | -170.5 | 53 | 0 | 0 | 0 | 0 | 116.2 | R2037 | R2037-S2040 PolarHBondContact O-N 2.87Š|
| 2041 | A | 25.6 | Very low | 29 | Very low | 72 Ų | 72 | 112.6 Ų | 112.6 | 60% | 0.595 | 59% | 0.594 | S | S | * | * | trans | -73.9 | 141.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 2042 | I | 28.2 | Very low | 28 | Very low | 107 Ų | 107 | 115.5 Ų | 115.5 | 55% | 0.549 | 61% | 0.611 | S | S | . | * | S | Bend | trans | 57.8 | 79.1 | 165.3 | -43.6 | 175.7 | 0 | 0 | 0 | 116.2 | L2333 | I2042-L2333 HydrophobicContact CD1-CD1 4.47Š|
| 2043 | F | 25.3 | Very low | 26.8 | Very low | 125 Ų | 125 | 116.6 Ų | 116.6 | 55% | 0.548 | 62% | 0.617 | S | S | . | * | -169.1 | 108 | 119.7 | -112 | -67.8 | 0 | 0 | 0 | 111.3 | S2045 L2508 A2512 | F2043-S2045 VanDerWaalsContact C-N 3.33Å; F2043-S2045 PolarHBondContact O-N 3.27Å; F2043-L2508 HydrophobicContact CD2-CD2 4.14Å; F2043-L2508 HydrophobicContact CE2-CD2 4.42Å; F2043-A2512 HydrophobicContact CE2-CB 3.57Å; F2043-A2512 HydrophobicContact CZ-CB 3.62Å | |||
| 2044 | H | 22.6 | Very low | 25.8 | Very low | 197 Ų | 197 | 116.7 Ų | 116.7 | 91% | 0.912 | 63% | 0.625 | S | S | * | * | trans | -74.9 | 75.2 | -179.3 | -79 | -72.8 | 0 | 0 | 0 | 113.6 | ||||
| 2045 | S | 21 | Very low | 24.5 | Very low | 108 Ų | 108 | 123 Ų | 123 | 76% | 0.755 | 66% | 0.657 | S | S | * | * | trans | -83.1 | 112.5 | 160.4 | -170 | 0 | 0 | 0 | 0 | 109.8 | F2043 N2047 | F2043-S2045 VanDerWaalsContact C-N 3.33Å; F2043-S2045 PolarHBondContact O-N 3.27Å; S2045-N2047 PolarHBondContact O-N 2.74Å | ||
| 2046 | K | 19.2 | Very low | 23.8 | Very low | 203 Ų | 203 | 126 Ų | 126 | 88% | 0.883 | 68% | 0.68 | S | S | * | * | trans | -72.3 | 89.7 | 179.7 | -71.6 | 177.2 | 176.4 | 173.1 | 0 | 111.3 | ||||
| 2047 | N | 19.8 | Very low | 23.2 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 60% | 0.599 | 69% | 0.686 | S | S | * | * | trans | -155.6 | 138 | 163.1 | -130 | -13.7 | 0 | 0 | 0 | 115.9 | S2045 | S2045-N2047 PolarHBondContact O-N 2.74Š| ||
| 2048 | R | 21 | Very low | 22.5 | Very low | 183 Ų | 183 | 124.7 Ų | 124.7 | 69% | 0.691 | 70% | 0.697 | S | S | * | * | trans | 61.3 | 119.2 | 158.8 | -65.3 | 175.7 | -172.1 | 166.5 | 5.8 | 120.2 | ||||
| 2049 | N | 18.8 | Very low | 21.9 | Very low | 163 Ų | 163 | 129.9 Ų | 129.9 | 87% | 0.872 | 72% | 0.717 | S | S | * | * | trans | -55.4 | 131.8 | 151.4 | -53.5 | -20 | 0 | 0 | 0 | 110.1 | ||||
| 2050 | I | 21.7 | Very low | 21.4 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 67% | 0.667 | 74% | 0.739 | S | S | * | * | trans | -134.9 | 131.6 | 154.6 | -61.7 | -177.8 | 0 | 0 | 0 | 105.9 | ||||
| 2051 | D | 20.5 | Very low | 20.9 | Very low | 131 Ų | 131 | 141 Ų | 141 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | trans | -68.3 | 132.6 | -172.4 | -68.1 | -75.6 | 0 | 0 | 0 | 113 | N2053 | D2051-N2053 PolarHBondContact O-N 3.06Å; D2051-N2053 VanDerWaalsContact O-N 3.11Å | ||
| 2052 | I | 23.3 | Very low | 20.7 | Very low | 154 Ų | 154 | 143.8 Ų | 143.8 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -70.3 | -8 | -173.6 | -67.4 | 169.7 | 0 | 0 | 0 | 112.9 | S2054 | I2052-S2054 VanDerWaalsContact C-N 3.28Å; I2052-S2054 PolarHBondContact O-N 3.21Å |
| 2053 | N | 20 | Very low | 20.3 | Very low | 150 Ų | 150 | 146.3 Ų | 146.3 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | 34.2 | -167.8 | -65.8 | -24.5 | 0 | 0 | 0 | 115.4 | D2051 | D2051-N2053 PolarHBondContact O-N 3.06Å; D2051-N2053 VanDerWaalsContact O-N 3.11Å |
| 2054 | S | 18.3 | Very low | 20.1 | Very low | 98 Ų | 98 | 146.2 Ų | 146.2 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.3 | 20.6 | -179.5 | 57.9 | 0 | 0 | 0 | 0 | 115.7 | I2052 | I2052-S2054 VanDerWaalsContact C-N 3.28Å; I2052-S2054 PolarHBondContact O-N 3.21Å |
| 2055 | L | 19.7 | Very low | 19.9 | Very low | 161 Ų | 161 | 142.4 Ų | 142.4 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -114.6 | 49.6 | 173.2 | -80.1 | 168.3 | 0 | 0 | 0 | 112.9 | ||
| 2056 | S | 19.9 | Very low | 19.9 | Very low | 116 Ų | 116 | 144.9 Ų | 144.9 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -145.9 | 29.8 | 176.9 | 62 | 0 | 0 | 0 | 0 | 114.7 | ||
| 2057 | A | 18.9 | Very low | 19.9 | Very low | 85 Ų | 85 | 138.8 Ų | 138.8 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -137.1 | 137.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 2058 | S | 17.8 | Very low | 20 | Very low | 105 Ų | 105 | 139.3 Ų | 139.3 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | 46 | 106.3 | 174.5 | 57.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 2059 | H | 20.2 | Very low | 20 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | -162.3 | 107.7 | 97.2 | -112.8 | -106.4 | 0 | 0 | 0 | 109.7 | E2061 | H2059-E2061 IonicContact CE1-OE1 3.65Å; H2059-E2061 PolarHBondContact CE1-OE1 3.13Å; H2059-E2061 VanDerWaalsContact CE1-OE1 3.29Å; H2059-E2061 IonicContact CG-OE1 2.61Å; H2059-E2061 IonicContact ND1-OE1 2.9Å; H2059-E2061 PolarHBondContact ND1-OE1 3.39Å; H2059-E2061 PolarHBondContact O-N 3.29Å; H2059-E2061 VanDerWaalsContact O-N 3.15Å | |||
| 2060 | R | 18.2 | Very low | 20.2 | Very low | 255 Ų | 255 | 140.4 Ų | 140.4 | 96% | 0.962 | 77% | 0.769 | S | S | * | * | trans | -88.7 | 59.4 | 178.2 | -169.4 | -173.8 | -177.8 | 175 | 1.6 | 109.7 | ||||
| 2061 | E | 20 | Very low | 20.2 | Very low | 150 Ų | 150 | 144 Ų | 144 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | -81.1 | 142.5 | 176.7 | -91 | 174.8 | -130.8 | 0 | 0 | 112 | H2059 N2063 | H2059-E2061 IonicContact CE1-OE1 3.65Å; H2059-E2061 PolarHBondContact CE1-OE1 3.13Å; H2059-E2061 VanDerWaalsContact CE1-OE1 3.29Å; H2059-E2061 IonicContact CG-OE1 2.61Å; H2059-E2061 IonicContact ND1-OE1 2.9Å; H2059-E2061 PolarHBondContact ND1-OE1 3.39Å; H2059-E2061 PolarHBondContact O-N 3.29Å; H2059-E2061 VanDerWaalsContact O-N 3.15Å; E2061-N2063 PolarHBondContact O-N 3.06Å | ||
| 2062 | T | 20.3 | Very low | 20.2 | Very low | 132 Ų | 132 | 146.5 Ų | 146.5 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -77.4 | 92.1 | -171.1 | 41.2 | 0 | 0 | 0 | 0 | 111.3 | T2064 | T2062-T2064 PolarHBondContact O-N 2.86Š| ||
| 2063 | N | 20.5 | Very low | 20 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | trans | -62.2 | 101.7 | 163.3 | -92.4 | -6.1 | 0 | 0 | 0 | 109.5 | E2061 | E2061-N2063 PolarHBondContact O-N 3.06Š| ||
| 2064 | T | 20 | Very low | 20.1 | Very low | 123 Ų | 123 | 145.9 Ų | 145.9 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -57.8 | 156.2 | 163.3 | 31.1 | 0 | 0 | 0 | 0 | 110.1 | T2062 I2066 | T2062-T2064 PolarHBondContact O-N 2.86Å; T2064-I2066 PolarHBondContact O-N 3.03Å | ||
| 2065 | S | 18.6 | Very low | 20.2 | Very low | 117 Ų | 117 | 147 Ų | 147 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -62.5 | 104.1 | -172.2 | 50.5 | 0 | 0 | 0 | 0 | 112.7 | S2067 | S2065-S2067 PolarHBondContact O-N 3.43Š| ||
| 2066 | I | 20.6 | Very low | 20.5 | Very low | 161 Ų | 161 | 144.4 Ų | 144.4 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | -74.9 | 106.5 | 156 | -61.7 | 177.4 | 0 | 0 | 0 | 106.6 | T2064 | T2064-I2066 PolarHBondContact O-N 3.03Š| ||
| 2067 | S | 19 | Very low | 20.7 | Very low | 74 Ų | 74 | 148.7 Ų | 148.7 | 52% | 0.517 | 79% | 0.793 | S | S | . | * | trans | -68.9 | 131.9 | 179 | 50.3 | 0 | 0 | 0 | 0 | 111.2 | S2065 Y2069 | S2065-S2067 PolarHBondContact O-N 3.43Å; S2067-Y2069 VanDerWaalsContact C-N 3.33Å; S2067-Y2069 PolarHBondContact O-N 3.08Å | ||
| 2068 | P | 23.6 | Very low | 21.2 | Very low | 124 Ų | 124 | 148.7 Ų | 148.7 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | trans | -77.2 | 78.2 | -177.5 | 32 | -36 | 0 | 0 | 0 | 111.7 | I2070 | P2068-I2070 PolarHBondContact O-N 2.85Š| ||
| 2069 | Y | 19.7 | Very low | 22.3 | Very low | 203 Ų | 203 | 147.5 Ų | 147.5 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | trans | -80.2 | 38.7 | -173.2 | -127.6 | -75.6 | 0 | 0 | 0 | 114.5 | S2067 | S2067-Y2069 VanDerWaalsContact C-N 3.33Å; S2067-Y2069 PolarHBondContact O-N 3.08Å | ||
| 2070 | I | 23.9 | Very low | 23.3 | Very low | 166 Ų | 166 | 144.4 Ų | 144.4 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | trans | -137.6 | 69.7 | 172.2 | -47.4 | 180 | 0 | 0 | 0 | 109.6 | P2068 | P2068-I2070 PolarHBondContact O-N 2.85Š| ||
| 2071 | K | 22.2 | Very low | 25 | Very low | 204 Ų | 204 | 134.8 Ų | 134.8 | 89% | 0.887 | 73% | 0.732 | S | S | * | * | trans | -143.5 | 20.7 | 167.5 | -103.6 | -167.2 | -179.9 | -174 | 0 | 115.1 | ||||
| 2072 | E | 19.7 | Very low | 27 | Very low | 185 Ų | 185 | 130.9 Ų | 130.9 | 86% | 0.864 | 72% | 0.716 | S | S | * | * | trans | -126.7 | 71.6 | 179.5 | -66.4 | -166.9 | 157.5 | 0 | 0 | 113 | ||||
| 2073 | S | 19.8 | Very low | 29.2 | Very low | 109 Ų | 109 | 128.5 Ų | 128.5 | 76% | 0.762 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -164.8 | 147.8 | 150.8 | 55.4 | 0 | 0 | 0 | 0 | 109.9 | ||
| 2074 | M | 22 | Very low | 31.5 | Very low | 181 Ų | 181 | 126.5 Ų | 126.5 | 89% | 0.892 | 68% | 0.683 | S | S | * | * | trans | 59.6 | 66.3 | -179.5 | -61.9 | -166.7 | 174.7 | 0 | 0 | 116.4 | T2076 | M2074-T2076 VanDerWaalsContact C-N 3.34Å; M2074-T2076 PolarHBondContact O-N 3.47Å; M2074-T2076 VanDerWaalsContact O-N 3.15Å | ||
| 2075 | S | 19.9 | Very low | 34 | Very low | 123 Ų | 123 | 123.4 Ų | 123.4 | 86% | 0.86 | 66% | 0.661 | S | S | * | * | trans | -82.9 | 66.6 | 168.9 | 60.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 2076 | T | 24.8 | Very low | 36.7 | Very low | 106 Ų | 106 | 118.2 Ų | 118.2 | 65% | 0.65 | 62% | 0.624 | S | S | * | * | trans | -98.1 | 121.7 | 169 | 43.7 | 0 | 0 | 0 | 0 | 110.5 | M2074 L2078 | M2074-T2076 VanDerWaalsContact C-N 3.34Å; M2074-T2076 PolarHBondContact O-N 3.47Å; M2074-T2076 VanDerWaalsContact O-N 3.15Å; T2076-L2078 PolarHBondContact O-N 2.77Å | ||
| 2077 | K | 24.8 | Very low | 39.2 | Very low | 205 Ų | 205 | 113.1 Ų | 113.1 | 89% | 0.891 | 60% | 0.596 | S | S | * | * | trans | -78.8 | 89.4 | -166.7 | -62.5 | 177.7 | -176.4 | 175.3 | 0 | 113.1 | ||||
| 2078 | L | 30 | Very low | 42 | Very low | 85 Ų | 85 | 113.9 Ų | 113.9 | 45% | 0.445 | 59% | 0.592 | S | S | . | * | trans | -72 | 138.2 | 143.7 | -89.4 | 160.3 | 0 | 0 | 0 | 108.6 | T2076 P2080 | T2076-L2078 PolarHBondContact O-N 2.77Å; L2078-P2080 WeakPolarHBondContact O-CD 3.47Å | ||
| 2079 | N | 41.1 | Very low | 44.7 | Very low | 80 Ų | 80 | 109.4 Ų | 109.4 | 43% | 0.428 | 56% | 0.561 | S | S | . | * | trans | -74.4 | 119.3 | 165.3 | -71.1 | -25.3 | 0 | 0 | 0 | 107.6 | S2081 D2082 | N2079-S2081 PolarHBondContact O-N 3.06Å; N2079-S2081 VanDerWaalsContact O-N 3.17Å; N2079-D2082 PolarHBondContact O-N 2.91Å | ||
| 2080 | P | 40.8 | Very low | 47.6 | Very low | 90 Ų | 90 | 99.8 Ų | 99.8 | 58% | 0.584 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.9 | -30.9 | -178.1 | 22.5 | -32.4 | 0 | 0 | 0 | 112.3 | L2078 D2082 L2083 E2084 | L2078-P2080 WeakPolarHBondContact O-CD 3.47Å; P2080-D2082 VanDerWaalsContact C-N 3.3Å; P2080-D2082 PolarHBondContact O-N 2.99Å; P2080-L2083 PolarHBondContact O-N 3.48Å; P2080-E2084 WeakPolarHBondContact O-CG 3.45Å; P2080-E2084 PolarHBondContact O-N 3.44Å |
| 2081 | S | 53.7 | Low | 50.1 | Low | 53 Ų | 53 | 96.6 Ų | 96.6 | 37% | 0.371 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -55.6 | -36.4 | 178.2 | 54.1 | 0 | 0 | 0 | 0 | 114.5 | N2079 E2084 I2085 | N2079-S2081 PolarHBondContact O-N 3.06Å; N2079-S2081 VanDerWaalsContact O-N 3.17Å; S2081-E2084 PolarHBondContact O-N 3.46Å; S2081-I2085 WeakPolarHBondContact O-CB 3.42Å; S2081-I2085 WeakPolarHBondContact O-CD1 3.18Å; S2081-I2085 WeakPolarHBondContact O-CG1 3.44Å; S2081-I2085 PolarHBondContact O-N 2.99Å |
| 2082 | D | 61.3 | Low | 52.9 | Low | 69 Ų | 69 | 90.4 Ų | 90.4 | 37% | 0.369 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -75.8 | -34.3 | -175.2 | -68.2 | -49.7 | 0 | 0 | 0 | 111.8 | N2079 P2080 Y2086 | N2079-D2082 PolarHBondContact O-N 2.91Å; P2080-D2082 VanDerWaalsContact C-N 3.3Å; P2080-D2082 PolarHBondContact O-N 2.99Å; D2082-Y2086 WeakPolarHBondContact O-CB 3.33Å; D2082-Y2086 PolarHBondContact O-N 3.26Å; D2082-Y2086 VanDerWaalsContact O-N 3.09Å |
| 2083 | L | 68.2 | Low | 55.8 | Low | 81 Ų | 81 | 81.7 Ų | 81.7 | 42% | 0.424 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -71.2 | -40.5 | 171.5 | 179 | 61.3 | 0 | 0 | 0 | 111.3 | I1987 P2080 Y2086 Q2087 | I1987-L2083 HydrophobicContact CD1-CD1 3.95Å; P2080-L2083 PolarHBondContact O-N 3.48Å; L2083-Y2086 PolarHBondContact O-N 2.96Å; L2083-Q2087 HydrophobicContact CD1-CG 4.42Å; L2083-Q2087 WeakPolarHBondContact O-CG 3.34Å; L2083-Q2087 PolarHBondContact O-N 3.47Å |
| 2084 | E | 66.8 | Low | 58.5 | Low | 117 Ų | 117 | 76.9 Ų | 76.9 | 55% | 0.547 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.1 | -47.2 | 174.6 | -74.2 | 169.5 | 174.4 | 0 | 0 | 111.6 | P2080 S2081 Y2086 Q2087 Q2088 | P2080-E2084 WeakPolarHBondContact O-CG 3.45Å; P2080-E2084 PolarHBondContact O-N 3.44Å; S2081-E2084 PolarHBondContact O-N 3.46Å; E2084-Y2086 PolarHBondContact O-N 3.26Å; E2084-Q2087 PolarHBondContact O-N 3.01Å; E2084-Q2088 VanDerWaalsContact O-CB 3.23Å; E2084-Q2088 WeakPolarHBondContact O-CB 3.37Å; E2084-Q2088 PolarHBondContact O-N 3.37Å |
| 2085 | I | 74 | Confident | 61 | Low | 58 Ų | 58 | 72.4 Ų | 72.4 | 30% | 0.297 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63 | -40.1 | 176.3 | -69 | 162.7 | 0 | 0 | 0 | 111.4 | W1992 S2081 Q2088 L2089 | W1992-I2085 HydrophobicContact CH2-CB 4.42Å; W1992-I2085 HydrophobicContact CH2-CG2 3.99Å; W1992-I2085 HydrophobicContact CZ3-CG2 4.24Å; S2081-I2085 WeakPolarHBondContact O-CB 3.42Å; S2081-I2085 WeakPolarHBondContact O-CD1 3.18Å; S2081-I2085 WeakPolarHBondContact O-CG1 3.44Å; S2081-I2085 PolarHBondContact O-N 2.99Å; I2085-Q2088 PolarHBondContact O-N 2.8Å; I2085-L2089 HydrophobicContact CG2-CD1 4.1Å; I2085-L2089 WeakPolarHBondContact O-CG 3.36Å; I2085-L2089 PolarHBondContact O-N 2.99Å |
| 2086 | Y | 74.6 | Confident | 63.6 | Low | 8 Ų | 8 | 68 Ų | 68 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63 | -46.9 | 177.4 | 180 | -96.9 | 0 | 0 | 0 | 112.1 | I1987 H1991 W1992 V1995 D2082 L2083 E2084 Q2088 W2090 | I1987-Y2086 HydrophobicContact CD1-CD1 3.88Å; I1987-Y2086 HydrophobicContact CD1-CD2 4.13Å; I1987-Y2086 HydrophobicContact CD1-CG 3.64Å; I1987-Y2086 HydrophobicContact CG2-CD2 3.78Å; I1987-Y2086 HydrophobicContact CG2-CE2 3.61Å; I1987-Y2086 HydrophobicContact CG2-CG 4.36Å; H1991-Y2086 HydrophobicContact CB-CE2 4.04Å; W1992-Y2086 HydrophobicContact CD2-CD2 4.17Å; W1992-Y2086 HydrophobicContact CE3-CD2 4.25Å; W1992-Y2086 HydrophobicContact CH2-CD2 4.37Å; W1992-Y2086 HydrophobicContact CZ2-CD2 4.26Å; W1992-Y2086 HydrophobicContact CZ3-CD2 4.36Å; V1995-Y2086 HydrophobicContact CG2-CD2 3.98Å; V1995-Y2086 HydrophobicContact CG2-CE2 3.42Å; V1995-Y2086 VanDerWaalsContact CG2-CE2 3.42Å; D2082-Y2086 WeakPolarHBondContact O-CB 3.33Å; D2082-Y2086 PolarHBondContact O-N 3.26Å; D2082-Y2086 VanDerWaalsContact O-N 3.09Å; L2083-Y2086 PolarHBondContact O-N 2.96Å; E2084-Y2086 PolarHBondContact O-N 3.26Å; Y2086-Q2088 VanDerWaalsContact C-N 3.34Å; Y2086-W2090 AromaticContact CE1-CD1 3.61Å; Y2086-W2090 AromaticContact CE1-NE1 3.36Å; Y2086-W2090 AromaticContact CE2-NE1 3.84Å; Y2086-W2090 AromaticContact CZ-CD1 3.83Å; Y2086-W2090 AromaticContact CZ-NE1 3.14Å; Y2086-W2090 PolarHBondContact O-N 3Å; Y2086-W2090 PolarHBondContact OH-NE1 3.32Å |
| 2087 | Q | 73 | Confident | 65.7 | Low | 54 Ų | 54 | 63 Ų | 63 | 25% | 0.252 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.9 | -33.5 | 175.4 | -69.3 | -178.3 | 3.2 | 0 | 0 | 112.6 | L2083 E2084 R2091 | L2083-Q2087 HydrophobicContact CD1-CG 4.42Å; L2083-Q2087 WeakPolarHBondContact O-CG 3.34Å; L2083-Q2087 PolarHBondContact O-N 3.47Å; E2084-Q2087 PolarHBondContact O-N 3.01Å; Q2087-R2091 PolarHBondContact O-N 2.59Å; Q2087-R2091 VanDerWaalsContact O-N 3.09Å; Q2087-R2091 PolarHBondContact O-NE 2.95Å |
| 2088 | Q | 78.1 | Confident | 67.6 | Low | 90 Ų | 90 | 54.9 Ų | 54.9 | 42% | 0.421 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.3 | -46.2 | 176.3 | 177.1 | 170.9 | -16.6 | 0 | 0 | 110.9 | E2084 I2085 Y2086 W2090 R2091 E2092 | E2084-Q2088 VanDerWaalsContact O-CB 3.23Å; E2084-Q2088 WeakPolarHBondContact O-CB 3.37Å; E2084-Q2088 PolarHBondContact O-N 3.37Å; I2085-Q2088 PolarHBondContact O-N 2.8Å; Y2086-Q2088 VanDerWaalsContact C-N 3.34Å; Q2088-W2090 VanDerWaalsContact C-N 3.31Å; Q2088-W2090 PolarHBondContact O-N 3.31Å; Q2088-R2091 CarbonylContact O-C 3.6Å; Q2088-R2091 WeakPolarHBondContact O-CA 3.1Å; Q2088-R2091 WeakPolarHBondContact O-CB 3.42Å; Q2088-R2091 PolarHBondContact O-N 3.21Å; Q2088-E2092 HydrophobicContact CG-CG 4.17Å; Q2088-E2092 WeakPolarHBondContact CG-OE1 3.5Å; Q2088-E2092 PolarHBondContact NE2-OE1 3.08Å; Q2088-E2092 WeakPolarHBondContact O-CB 3.47Å; Q2088-E2092 WeakPolarHBondContact O-CG 3.46Å; Q2088-E2092 PolarHBondContact O-N 3.08Å |
| 2089 | L | 79.4 | Confident | 69.2 | Low | 30 Ų | 30 | 55.1 Ų | 55.1 | 16% | 0.157 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.6 | -34.1 | 178.4 | -74.4 | 163.8 | 0 | 0 | 0 | 113.3 | W1992 V1995 I2085 C2093 | W1992-L2089 HydrophobicContact CZ3-CD1 3.83Å; V1995-L2089 HydrophobicContact CG1-CB 3.42Å; V1995-L2089 VanDerWaalsContact CG1-CB 3.42Å; V1995-L2089 HydrophobicContact CG1-CD1 3.83Å; V1995-L2089 HydrophobicContact CG1-CG 4.2Å; I2085-L2089 HydrophobicContact CG2-CD1 4.1Å; I2085-L2089 WeakPolarHBondContact O-CG 3.36Å; I2085-L2089 PolarHBondContact O-N 2.99Å; L2089-C2093 VanDerWaalsContact O-CB 3.28Å; L2089-C2093 WeakPolarHBondContact O-CB 3.42Å; L2089-C2093 PolarHBondContact O-N 2.98Å |
| 2090 | W | 81.8 | Confident | 69.6 | Low | 1 Ų | 1 | 55.7 Ų | 55.7 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.1 | -38 | 172 | -78.5 | 124.5 | 0 | 0 | 0 | 112.6 | V1995 L1998 I2020 S2023 Y2086 Q2088 W2094 | V1995-W2090 HydrophobicContact CG2-CD2 3.9Å; V1995-W2090 HydrophobicContact CG2-CG 4.31Å; V1995-W2090 HydrophobicContact CG2-CH2 4.39Å; V1995-W2090 HydrophobicContact CG2-CZ2 3.59Å; V1995-W2090 VanDerWaalsContact CG2-NE1 3.3Å; L1998-W2090 HydrophobicContact CD1-CH2 3.65Å; L1998-W2090 HydrophobicContact CD1-CZ3 3.6Å; I2020-W2090 HydrophobicContact CB-CZ3 4.28Å; I2020-W2090 HydrophobicContact CG1-CZ3 3.96Å; I2020-W2090 HydrophobicContact CG2-CE3 4.12Å; I2020-W2090 HydrophobicContact CG2-CZ3 4.33Å; S2023-W2090 WeakPolarHBondContact OG-CH2 3.41Å; S2023-W2090 WeakPolarHBondContact OG-CZ2 3.24Å; S2023-W2090 WeakPolarHBondContact OG-CZ3 3.44Å; Y2086-W2090 AromaticContact CE1-CD1 3.61Å; Y2086-W2090 AromaticContact CE1-NE1 3.36Å; Y2086-W2090 AromaticContact CE2-NE1 3.84Å; Y2086-W2090 AromaticContact CZ-CD1 3.83Å; Y2086-W2090 AromaticContact CZ-NE1 3.14Å; Y2086-W2090 PolarHBondContact O-N 3Å; Y2086-W2090 PolarHBondContact OH-NE1 3.32Å; Q2088-W2090 VanDerWaalsContact C-N 3.31Å; Q2088-W2090 PolarHBondContact O-N 3.31Å; W2090-W2094 WeakPolarHBondContact O-CB 3.47Å; W2090-W2094 PolarHBondContact O-N 3.06Å; W2090-W2094 VanDerWaalsContact O-N 3.08Å |
| 2091 | R | 76.8 | Confident | 69.9 | Low | 100 Ų | 100 | 55.6 Ų | 55.6 | 38% | 0.377 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.7 | -46.8 | 172.2 | -78.3 | 179.7 | -101.7 | 140.3 | -9.2 | 111.4 | Q2087 Q2088 C2093 W2094 D2095 | Q2087-R2091 PolarHBondContact O-N 2.59Å; Q2087-R2091 VanDerWaalsContact O-N 3.09Å; Q2087-R2091 PolarHBondContact O-NE 2.95Å; Q2088-R2091 CarbonylContact O-C 3.6Å; Q2088-R2091 WeakPolarHBondContact O-CA 3.1Å; Q2088-R2091 WeakPolarHBondContact O-CB 3.42Å; Q2088-R2091 PolarHBondContact O-N 3.21Å; R2091-C2093 PolarHBondContact O-N 3.31Å; R2091-W2094 PolarHBondContact O-N 3.09Å; R2091-D2095 WeakPolarHBondContact O-CB 3.4Å; R2091-D2095 VanDerWaalsContact O-CG 3.25Å; R2091-D2095 PolarHBondContact O-N 3.02Å |
| 2092 | E | 80.6 | Confident | 69 | Low | 74 Ų | 74 | 56.1 Ų | 56.1 | 35% | 0.346 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 176.3 | -72.2 | 169.4 | 165.5 | 0 | 0 | 111.6 | H1999 Q2088 W2094 D2095 E2096 | H1999-E2092 IonicContact NE2-OE2 3.35Å; Q2088-E2092 HydrophobicContact CG-CG 4.17Å; Q2088-E2092 WeakPolarHBondContact CG-OE1 3.5Å; Q2088-E2092 PolarHBondContact NE2-OE1 3.08Å; Q2088-E2092 WeakPolarHBondContact O-CB 3.47Å; Q2088-E2092 WeakPolarHBondContact O-CG 3.46Å; Q2088-E2092 PolarHBondContact O-N 3.08Å; E2092-W2094 PolarHBondContact O-N 2.93Å; E2092-D2095 PolarHBondContact O-N 3.49Å; E2092-E2096 WeakPolarHBondContact O-CB 3.48Å; E2092-E2096 WeakPolarHBondContact O-CG 3.31Å; E2092-E2096 PolarHBondContact O-N 3.05Å |
| 2093 | C | 81 | Confident | 67.4 | Low | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.007 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.3 | -39.8 | 174.9 | -177.3 | 0 | 0 | 0 | 0 | 112.8 | H1999 L2089 R2091 L2097 | H1999-C2093 HydrophobicContact CB-CB 4.37Å; L2089-C2093 VanDerWaalsContact O-CB 3.28Å; L2089-C2093 WeakPolarHBondContact O-CB 3.42Å; L2089-C2093 PolarHBondContact O-N 2.98Å; R2091-C2093 PolarHBondContact O-N 3.31Å; C2093-L2097 PolarHBondContact O-N 2.92Å |
| 2094 | W | 76.3 | Confident | 65.3 | Low | 8 Ų | 8 | 56.6 Ų | 56.6 | 3% | 0.03 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.3 | -39.7 | 175.8 | -178.8 | -83.9 | 0 | 0 | 0 | 112.6 | I2020 F2021 K2024 W2090 R2091 E2092 L2097 I2098 L2132 F2136 | I2020-W2094 HydrophobicContact CB-CE3 4.46Å; I2020-W2094 HydrophobicContact CG2-CB 4.31Å; I2020-W2094 HydrophobicContact CG2-CE3 3.83Å; F2021-W2094 HydrophobicContact CB-CZ3 4.26Å; K2024-W2094 HydrophobicContact CD-CB 4.12Å; K2024-W2094 HydrophobicContact CD-CD2 3.88Å; K2024-W2094 HydrophobicContact CD-CE3 4.38Å; K2024-W2094 HydrophobicContact CD-CG 3.74Å; W2090-W2094 WeakPolarHBondContact O-CB 3.47Å; W2090-W2094 PolarHBondContact O-N 3.06Å; W2090-W2094 VanDerWaalsContact O-N 3.08Å; R2091-W2094 PolarHBondContact O-N 3.09Å; E2092-W2094 PolarHBondContact O-N 2.93Å; W2094-L2097 PolarHBondContact O-N 3.02Å; W2094-I2098 HydrophobicContact CZ2-CD1 4.41Å; W2094-I2098 PolarHBondContact O-N 3.2Å; W2094-L2132 HydrophobicContact CH2-CB 4.3Å; W2094-L2132 HydrophobicContact CH2-CD1 4.38Å; W2094-L2132 HydrophobicContact CH2-CD2 4.47Å; W2094-L2132 HydrophobicContact CZ2-CB 4.14Å; W2094-L2132 HydrophobicContact CZ2-CD1 4.15Å; W2094-F2136 HydrophobicContact CH2-CE2 4.17Å |
| 2095 | D | 73.4 | Confident | 63.2 | Low | 87 Ų | 87 | 57.8 Ų | 57.8 | 47% | 0.465 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -78.8 | -28.6 | -178.9 | -65.7 | -21.5 | 0 | 0 | 0 | 111.9 | R2091 E2092 S2099 | R2091-D2095 WeakPolarHBondContact O-CB 3.4Å; R2091-D2095 VanDerWaalsContact O-CG 3.25Å; R2091-D2095 PolarHBondContact O-N 3.02Å; E2092-D2095 PolarHBondContact O-N 3.49Å; D2095-S2099 WeakPolarHBondContact O-CB 3.46Å; D2095-S2099 PolarHBondContact O-N 2.82Å; D2095-S2099 PolarHBondContact O-OG 3.13Å |
| 2096 | E | 74.1 | Confident | 60.7 | Low | 30 Ų | 30 | 60.1 Ų | 60.1 | 14% | 0.14 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.5 | -43 | 166.5 | -80.2 | -147.7 | 123.4 | 0 | 0 | 111.7 | A2002 H2003 E2092 S2099 R2100 | A2002-E2096 HydrophobicContact CB-CB 4.16Å; H2003-E2096 VanDerWaalsContact CA-OE2 3.25Å; H2003-E2096 WeakPolarHBondContact CA-OE2 3.32Å; H2003-E2096 WeakPolarHBondContact CB-OE2 3.41Å; H2003-E2096 IonicContact CD2-OE1 2.69Å; H2003-E2096 PolarHBondContact CD2-OE1 3.14Å; H2003-E2096 VanDerWaalsContact CD2-OE1 3.3Å; H2003-E2096 IonicContact CG-OE1 3.98Å; H2003-E2096 PolarHBondContact N-OE2 3.37Å; H2003-E2096 VanDerWaalsContact N-OE2 3.07Å; E2092-E2096 WeakPolarHBondContact O-CB 3.48Å; E2092-E2096 WeakPolarHBondContact O-CG 3.31Å; E2092-E2096 PolarHBondContact O-N 3.05Å; E2096-S2099 WeakPolarHBondContact CA-OG 3.46Å; E2096-S2099 PolarHBondContact O-N 3.02Å; E2096-S2099 PolarHBondContact O-OG 3.25Å; E2096-R2100 VanDerWaalsContact O-CB 3.32Å; E2096-R2100 WeakPolarHBondContact O-CB 3.32Å; E2096-R2100 WeakPolarHBondContact O-CG 3.39Å; E2096-R2100 PolarHBondContact O-N 2.99Å; E2096-R2100 IonicContact OE1-CZ 3.63Å; E2096-R2100 IonicContact OE1-NE 3.3Å; E2096-R2100 IonicContact OE1-NH2 2.86Å; E2096-R2100 PolarHBondContact OE1-NH2 3.45Å |
| 2097 | L | 69.5 | Low | 58.3 | Low | 3 Ų | 3 | 62.9 Ų | 62.9 | 2% | 0.016 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.2 | -55.3 | 172.5 | -83.1 | 166 | 0 | 0 | 0 | 110.8 | L2009 Y2010 L2017 I2020 C2093 W2094 S2099 R2100 I2101 | L2009-L2097 HydrophobicContact CB-CD2 3.99Å; L2009-L2097 HydrophobicContact CD1-CD1 4.33Å; L2009-L2097 HydrophobicContact CD1-CD2 3.81Å; L2009-L2097 HydrophobicContact CD1-CG 4.18Å; Y2010-L2097 HydrophobicContact CE1-CD2 3.85Å; Y2010-L2097 HydrophobicContact CE2-CD2 4.04Å; Y2010-L2097 VanDerWaalsContact OH-C 3.32Å; Y2010-L2097 PolarHBondContact OH-O 2.95Å; L2017-L2097 HydrophobicContact CD2-CD1 4.03Å; I2020-L2097 HydrophobicContact CD1-CD1 3.58Å; C2093-L2097 PolarHBondContact O-N 2.92Å; W2094-L2097 PolarHBondContact O-N 3.02Å; L2097-S2099 VanDerWaalsContact C-N 3.32Å; L2097-S2099 PolarHBondContact O-N 2.8Å; L2097-R2100 PolarHBondContact O-N 3.34Å; L2097-I2101 PolarHBondContact O-N 3.18Å |
| 2098 | I | 65.3 | Low | 56 | Low | 33 Ų | 33 | 65.4 Ų | 65.4 | 17% | 0.169 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60 | -39.2 | -179.3 | -74.2 | -175.4 | 0 | 0 | 0 | 112.4 | W2094 L2128 A2129 L2132 | W2094-I2098 HydrophobicContact CZ2-CD1 4.41Å; W2094-I2098 PolarHBondContact O-N 3.2Å; I2098-L2128 HydrophobicContact CG2-CD2 4.01Å; I2098-A2129 HydrophobicContact CD1-CB 4.47Å; I2098-L2132 HydrophobicContact CD1-CD1 4.16Å; I2098-L2132 HydrophobicContact CG1-CD1 3.85Å |
| 2099 | S | 62.4 | Low | 53.4 | Low | 91 Ų | 91 | 70.7 Ų | 70.7 | 64% | 0.636 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -77.9 | -18.8 | -178.9 | 59.1 | 0 | 0 | 0 | 0 | 114.3 | D2095 E2096 L2097 | D2095-S2099 WeakPolarHBondContact O-CB 3.46Å; D2095-S2099 PolarHBondContact O-N 2.82Å; D2095-S2099 PolarHBondContact O-OG 3.13Å; E2096-S2099 WeakPolarHBondContact CA-OG 3.46Å; E2096-S2099 PolarHBondContact O-N 3.02Å; E2096-S2099 PolarHBondContact O-OG 3.25Å; L2097-S2099 VanDerWaalsContact C-N 3.32Å; L2097-S2099 PolarHBondContact O-N 2.8Å |
| 2100 | R | 51 | Low | 50.7 | Low | 92 Ų | 92 | 73.2 Ų | 73.2 | 35% | 0.347 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | 27.3 | -178.8 | -57.3 | -169.1 | -168.5 | -169.6 | 14.4 | 114.3 | H2003 P2006 E2096 L2097 P2102 | H2003-R2100 PolarHBondContact CD2-NH2 2.67Å; H2003-R2100 VanDerWaalsContact CD2-NH2 3.35Å; H2003-R2100 PolarHBondContact O-NH1 3.45Å; P2006-R2100 HydrophobicContact CG-CB 4.48Å; E2096-R2100 VanDerWaalsContact O-CB 3.32Å; E2096-R2100 WeakPolarHBondContact O-CB 3.32Å; E2096-R2100 WeakPolarHBondContact O-CG 3.39Å; E2096-R2100 PolarHBondContact O-N 2.99Å; E2096-R2100 IonicContact OE1-CZ 3.63Å; E2096-R2100 IonicContact OE1-NE 3.3Å; E2096-R2100 IonicContact OE1-NH2 2.86Å; E2096-R2100 PolarHBondContact OE1-NH2 3.45Å; L2097-R2100 PolarHBondContact O-N 3.34Å; R2100-P2102 WeakPolarHBondContact O-CD 3.29Å; R2100-P2102 WeakPolarHBondContact O-CG 3.45Å; R2100-P2102 VanDerWaalsContact O-N 3.1Å |
| 2101 | I | 46 | Very low | 47.9 | Very low | 87 Ų | 87 | 78.9 Ų | 78.9 | 45% | 0.446 | 46% | 0.459 | S | S | . | . | trans | -55.8 | 112.3 | 168.2 | -63.4 | 171 | 0 | 0 | 0 | 108.6 | L2097 S2103 W2114 | L2097-I2101 PolarHBondContact O-N 3.18Å; I2101-S2103 PolarHBondContact O-N 3.04Å; I2101-W2114 HydrophobicContact CG2-CZ3 4.25Å | ||
| 2102 | P | 35.3 | Very low | 45.3 | Very low | 64 Ų | 64 | 80.6 Ų | 80.6 | 42% | 0.416 | 48% | 0.476 | S | S | . | . | trans | -75.8 | 124 | -166.3 | -18.4 | 32.8 | 0 | 0 | 0 | 113.1 | Y2010 R2100 A2104 | Y2010-P2102 HydrophobicContact CD2-CG 4.5Å; R2100-P2102 WeakPolarHBondContact O-CD 3.29Å; R2100-P2102 WeakPolarHBondContact O-CG 3.45Å; R2100-P2102 VanDerWaalsContact O-N 3.1Å; P2102-A2104 VanDerWaalsContact C-N 3.3Å; P2102-A2104 PolarHBondContact O-N 2.92Å | ||
| 2103 | S | 28.6 | Very low | 42.8 | Very low | 97 Ų | 97 | 82.4 Ų | 82.4 | 68% | 0.678 | 48% | 0.482 | S | S | * | . | trans | -89.8 | 63.6 | 167.8 | 66.5 | 0 | 0 | 0 | 0 | 110.8 | R340 I2101 | R340-S2103 PolarHBondContact NH1-OG 3.12Å; I2101-S2103 PolarHBondContact O-N 3.04Å | ||
| 2104 | A | 24.1 | Very low | 40.1 | Very low | 64 Ų | 64 | 88.2 Ų | 88.2 | 53% | 0.529 | 50% | 0.504 | S | S | . | . | trans | -128.8 | 133 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | P2102 C2106 | P2102-A2104 VanDerWaalsContact C-N 3.3Å; P2102-A2104 PolarHBondContact O-N 2.92Å; A2104-C2106 PolarHBondContact O-N 3Å; A2104-C2106 VanDerWaalsContact O-N 3.15Å | ||
| 2105 | P | 22.2 | Very low | 37.6 | Very low | 141 Ų | 141 | 92.7 Ų | 92.7 | 92% | 0.916 | 53% | 0.534 | S | S | * | . | trans | -75 | 106.4 | -174.2 | 29.6 | -34.1 | 0 | 0 | 0 | 111.5 | ||||
| 2106 | C | 22 | Very low | 35.2 | Very low | 107 Ų | 107 | 94.5 Ų | 94.5 | 72% | 0.723 | 54% | 0.544 | S | S | * | . | trans | -90.7 | 153.4 | 171.2 | -66.7 | 0 | 0 | 0 | 0 | 111.1 | A2104 | A2104-C2106 PolarHBondContact O-N 3Å; A2104-C2106 VanDerWaalsContact O-N 3.15Å | ||
| 2107 | S | 23 | Very low | 32.7 | Very low | 67 Ų | 67 | 96 Ų | 96 | 47% | 0.469 | 56% | 0.561 | S | S | . | * | trans | -71 | 146.1 | -179.7 | 42.5 | 0 | 0 | 0 | 0 | 111.6 | Q2109 S2110 | S2107-Q2109 PolarHBondContact O-N 3.14Å; S2107-S2110 PolarHBondContact O-OG 3.14Å | ||
| 2108 | P | 24.8 | Very low | 30.4 | Very low | 107 Ų | 107 | 101.3 Ų | 101.3 | 70% | 0.695 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -69.8 | -3.3 | -157.6 | 25 | -35.5 | 0 | 0 | 0 | 116.8 | S2110 V2111 | P2108-S2110 PolarHBondContact O-N 2.97Å; P2108-S2110 VanDerWaalsContact O-N 3.14Å; P2108-V2111 HydrophobicContact CB-CG2 4.47Å; P2108-V2111 WeakPolarHBondContact O-CG2 3.35Å; P2108-V2111 PolarHBondContact O-N 3.12Å |
| 2109 | Q | 24.4 | Very low | 28.3 | Very low | 201 Ų | 201 | 103.6 Ų | 103.6 | 94% | 0.939 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -78.5 | 13.9 | 177.5 | -71.6 | -178.5 | -38.6 | 0 | 0 | 114.5 | S2107 | S2107-Q2109 PolarHBondContact O-N 3.14Š|
| 2110 | S | 22.3 | Very low | 26.4 | Very low | 83 Ų | 83 | 106.5 Ų | 106.5 | 58% | 0.58 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -125.3 | 20.9 | 171.7 | 55.9 | 0 | 0 | 0 | 0 | 112.9 | S2107 P2108 L2112 | S2107-S2110 PolarHBondContact O-OG 3.14Å; P2108-S2110 PolarHBondContact O-N 2.97Å; P2108-S2110 VanDerWaalsContact O-N 3.14Å; S2110-L2112 PolarHBondContact O-N 3Å |
| 2111 | V | 23.6 | Very low | 25 | Very low | 119 Ų | 119 | 106 Ų | 106 | 72% | 0.721 | 64% | 0.641 | S | S | * | * | trans | -80.6 | 65.9 | 177.1 | -174.4 | 0 | 0 | 0 | 0 | 110.5 | P2108 | P2108-V2111 HydrophobicContact CB-CG2 4.47Å; P2108-V2111 WeakPolarHBondContact O-CG2 3.35Å; P2108-V2111 PolarHBondContact O-N 3.12Å | ||
| 2112 | L | 22.3 | Very low | 23.9 | Very low | 137 Ų | 137 | 109 Ų | 109 | 72% | 0.717 | 66% | 0.657 | S | S | * | * | trans | -129.2 | 138.9 | 157.8 | -68.1 | 175.4 | 0 | 0 | 0 | 107.3 | S2110 | S2110-L2112 PolarHBondContact O-N 3Š| ||
| 2113 | F | 26.7 | Very low | 23.2 | Very low | 112 Ų | 112 | 116 Ų | 116 | 49% | 0.491 | 68% | 0.681 | S | S | . | * | S | Bend | trans | 70.2 | 70.6 | 176.9 | -38.9 | -55.8 | 0 | 0 | 0 | 117.2 | P2140 | F2113-P2140 HydrophobicContact CE1-CG 3.93Å; F2113-P2140 HydrophobicContact CE2-CG 4.24Å; F2113-P2140 HydrophobicContact CZ-CG 3.63Å |
| 2114 | W | 23.9 | Very low | 22.8 | Very low | 123 Ų | 123 | 115.4 Ų | 115.4 | 47% | 0.466 | 68% | 0.677 | S | S | . | * | 178.9 | 100.6 | 118.1 | -88.9 | -19.2 | 0 | 0 | 0 | 114.3 | Y2010 L2017 I2101 L2132 | Y2010-W2114 AromaticContact CD1-CH2 3.9Å; Y2010-W2114 HydrophobicContact CD1-CH2 3.9Å; Y2010-W2114 HydrophobicContact CD1-CZ3 4.32Å; Y2010-W2114 AromaticContact CE1-CH2 3.41Å; Y2010-W2114 HydrophobicContact CE1-CH2 3.41Å; Y2010-W2114 VanDerWaalsContact CE1-CH2 3.41Å; Y2010-W2114 HydrophobicContact CE1-CZ2 4.25Å; Y2010-W2114 HydrophobicContact CE1-CZ3 4.05Å; L2017-W2114 HydrophobicContact CD1-CZ2 4.49Å; I2101-W2114 HydrophobicContact CG2-CZ3 4.25Å; W2114-L2132 HydrophobicContact CZ2-CD2 4.09Å | |||
| 2115 | P | 23.8 | Very low | 22.8 | Very low | 102 Ų | 102 | 120.5 Ų | 120.5 | 66% | 0.662 | 69% | 0.693 | S | S | * | * | trans | -84.9 | 122 | 166.6 | -11.7 | 29.6 | 0 | 0 | 0 | 112.8 | ||||
| 2116 | N | 23.2 | Very low | 22.8 | Very low | 124 Ų | 124 | 119.1 Ų | 119.1 | 66% | 0.663 | 68% | 0.677 | S | S | * | * | trans | -7.7 | 113.5 | 168.7 | -74.7 | -38.2 | 0 | 0 | 0 | 118.9 | V288 | V288-N2116 HydrophobicContact CG1-CB 4.13Š| ||
| 2117 | A | 22.5 | Very low | 23 | Very low | 61 Ų | 61 | 116.9 Ų | 116.9 | 50% | 0.504 | 66% | 0.661 | S | S | . | * | trans | -136.7 | 50.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 2118 | V | 21.8 | Very low | 23.2 | Very low | 115 Ų | 115 | 119 Ų | 119 | 70% | 0.697 | 67% | 0.667 | S | S | * | * | trans | -132.4 | 61.6 | -178.6 | -166.2 | 0 | 0 | 0 | 0 | 112.4 | L2128 | V2118-L2128 HydrophobicContact CG1-CD1 4.02Š| ||
| 2119 | T | 21.1 | Very low | 23.7 | Very low | 81 Ų | 81 | 115 Ų | 115 | 50% | 0.497 | 64% | 0.643 | S | S | . | * | trans | -140.2 | 22.3 | -175.9 | 50.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 2120 | L | 22.8 | Very low | 24.3 | Very low | 153 Ų | 153 | 107.6 Ų | 107.6 | 80% | 0.801 | 61% | 0.611 | S | S | * | * | trans | -113.5 | 102.3 | 172.4 | -76.3 | 175.3 | 0 | 0 | 0 | 112.8 | ||||
| 2121 | G | 21.3 | Very low | 25.6 | Very low | 82 Ų | 82 | 104.7 Ų | 104.7 | 85% | 0.845 | 60% | 0.595 | S | S | * | * | trans | -93.8 | 100.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 2122 | L | 21.7 | Very low | 26.9 | Very low | 149 Ų | 149 | 100.1 Ų | 100.1 | 78% | 0.78 | 57% | 0.566 | S | S | * | * | trans | -120.5 | 140 | 159.7 | -79 | 173.4 | 0 | 0 | 0 | 109.6 | S2124 | L2122-S2124 VanDerWaalsContact C-N 3.26Å; L2122-S2124 PolarHBondContact O-N 2.89Å | ||
| 2123 | K | 21.6 | Very low | 28.5 | Very low | 211 Ų | 211 | 94 Ų | 94 | 92% | 0.917 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -81 | 67.8 | -176.3 | -75.2 | -168.7 | 172.7 | -170.2 | 0 | 111.9 | ||
| 2124 | S | 20.4 | Very low | 30.3 | Very low | 85 Ų | 85 | 91 Ų | 91 | 59% | 0.594 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -135.7 | 149.4 | 159.7 | 57.3 | 0 | 0 | 0 | 0 | 109.1 | L2122 | L2122-S2124 VanDerWaalsContact C-N 3.26Å; L2122-S2124 PolarHBondContact O-N 2.89Å |
| 2125 | I | 23.5 | Very low | 32.5 | Very low | 171 Ų | 171 | 86.1 Ų | 86.1 | 88% | 0.877 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -60.6 | 150.6 | 175.3 | -63 | 165 | 0 | 0 | 0 | 108.8 | ||
| 2126 | L | 22.8 | Very low | 34.8 | Very low | 112 Ų | 112 | 81.3 Ų | 81.3 | 59% | 0.586 | 48% | 0.477 | S | S | * | . | trans | 83.9 | 38.6 | 177.9 | -146.3 | 73.3 | 0 | 0 | 0 | 121.3 | ||||
| 2127 | P | 26 | Very low | 37.2 | Very low | 59 Ų | 59 | 75.7 Ų | 75.7 | 38% | 0.383 | 45% | 0.447 | S | S | . | . | trans | -82.2 | -33.3 | 170.2 | -17.1 | 32.9 | 0 | 0 | 0 | 116.6 | A2129 T2130 | P2127-A2129 VanDerWaalsContact C-N 3.34Å; P2127-A2129 PolarHBondContact O-N 3.28Å; P2127-T2130 WeakPolarHBondContact O-CB 3.44Å; P2127-T2130 VanDerWaalsContact O-CG2 3.32Å; P2127-T2130 WeakPolarHBondContact O-CG2 3.42Å; P2127-T2130 PolarHBondContact O-N 3.28Å; P2127-T2130 PolarHBondContact O-OG1 2.87Å | ||
| 2128 | L | 27.3 | Very low | 39.8 | Very low | 113 Ų | 113 | 77.9 Ų | 77.9 | 59% | 0.592 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -68.6 | -29.4 | -162.2 | -157.4 | 71.5 | 0 | 0 | 0 | 114.1 | I2098 V2118 T2130 | I2098-L2128 HydrophobicContact CG2-CD2 4.01Å; V2118-L2128 HydrophobicContact CG1-CD1 4.02Å; L2128-T2130 PolarHBondContact O-N 3.39Å |
| 2129 | A | 34.6 | Very low | 42 | Very low | 22 Ų | 22 | 79.2 Ų | 79.2 | 18% | 0.182 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -68.5 | -13.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I2098 P2127 A2133 | I2098-A2129 HydrophobicContact CD1-CB 4.47Å; P2127-A2129 VanDerWaalsContact C-N 3.34Å; P2127-A2129 PolarHBondContact O-N 3.28Å; A2129-A2133 WeakPolarHBondContact O-CB 3.24Å; A2129-A2133 PolarHBondContact O-N 3.29Å |
| 2130 | T | 38 | Very low | 44.3 | Very low | 46 Ų | 46 | 76.8 Ų | 76.8 | 28% | 0.282 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -77.8 | -31.7 | -173.9 | 69 | 0 | 0 | 0 | 0 | 113.7 | P2127 L2128 A2133 N2134 | P2127-T2130 WeakPolarHBondContact O-CB 3.44Å; P2127-T2130 VanDerWaalsContact O-CG2 3.32Å; P2127-T2130 WeakPolarHBondContact O-CG2 3.42Å; P2127-T2130 PolarHBondContact O-N 3.28Å; P2127-T2130 PolarHBondContact O-OG1 2.87Å; L2128-T2130 PolarHBondContact O-N 3.39Å; T2130-A2133 PolarHBondContact O-N 3.46Å; T2130-N2134 PolarHBondContact O-N 3.09Å; T2130-N2134 PolarHBondContact O-OD1 3.44Å |
| 2131 | G | 48.2 | Very low | 46.8 | Very low | 22 Ų | 22 | 70.1 Ų | 70.1 | 23% | 0.227 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | N2134 S2135 | G2131-N2134 PolarHBondContact O-N 3.34Å; G2131-S2135 PolarHBondContact O-N 3.5Å |
| 2132 | L | 52.1 | Low | 49.6 | Very low | 23 Ų | 23 | 66.3 Ų | 66.3 | 12% | 0.12 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 171.8 | -111 | 167.1 | 0 | 0 | 0 | 111.7 | L2017 W2094 I2098 W2114 N2134 S2135 F2136 | L2017-L2132 HydrophobicContact CD1-CD2 4.21Å; W2094-L2132 HydrophobicContact CH2-CB 4.3Å; W2094-L2132 HydrophobicContact CH2-CD1 4.38Å; W2094-L2132 HydrophobicContact CH2-CD2 4.47Å; W2094-L2132 HydrophobicContact CZ2-CB 4.14Å; W2094-L2132 HydrophobicContact CZ2-CD1 4.15Å; I2098-L2132 HydrophobicContact CD1-CD1 4.16Å; I2098-L2132 HydrophobicContact CG1-CD1 3.85Å; W2114-L2132 HydrophobicContact CZ2-CD2 4.09Å; L2132-N2134 VanDerWaalsContact C-N 3.34Å; L2132-N2134 PolarHBondContact O-N 3.34Å; L2132-S2135 WeakPolarHBondContact O-CB 3.26Å; L2132-S2135 PolarHBondContact O-N 3.06Å; L2132-S2135 VanDerWaalsContact O-N 3.07Å; L2132-S2135 PolarHBondContact O-OG 3.44Å; L2132-F2136 WeakPolarHBondContact O-CD2 3.34Å |
| 2133 | A | 55.5 | Low | 52.4 | Low | 9 Ų | 9 | 61.5 Ų | 61.5 | 7% | 0.074 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.8 | -42.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A2129 T2130 S2135 F2136 | A2129-A2133 WeakPolarHBondContact O-CB 3.24Å; A2129-A2133 PolarHBondContact O-N 3.29Å; T2130-A2133 PolarHBondContact O-N 3.46Å; A2133-S2135 PolarHBondContact O-N 3.01Å; A2133-F2136 PolarHBondContact O-N 2.95Å |
| 2134 | N | 64.3 | Low | 55.3 | Low | 48 Ų | 48 | 54.7 Ų | 54.7 | 26% | 0.257 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -68.2 | -20.6 | 177.7 | -74.8 | 23.1 | 0 | 0 | 0 | 112.9 | T2130 G2131 L2132 F2136 L2137 Q2179 | T2130-N2134 PolarHBondContact O-N 3.09Å; T2130-N2134 PolarHBondContact O-OD1 3.44Å; G2131-N2134 PolarHBondContact O-N 3.34Å; L2132-N2134 VanDerWaalsContact C-N 3.34Å; L2132-N2134 PolarHBondContact O-N 3.34Å; N2134-F2136 VanDerWaalsContact C-N 3.31Å; N2134-F2136 PolarHBondContact O-N 3.07Å; N2134-L2137 PolarHBondContact O-N 3.31Å; N2134-Q2179 PolarHBondContact ND2-OE1 2.84Å |
| 2135 | S | 69.5 | Low | 58.3 | Low | 21 Ų | 21 | 50.8 Ų | 50.8 | 15% | 0.147 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.9 | -22.9 | 177.1 | 75.6 | 0 | 0 | 0 | 0 | 113.8 | G2131 L2132 A2133 L2137 R2138 | G2131-S2135 PolarHBondContact O-N 3.5Å; L2132-S2135 WeakPolarHBondContact O-CB 3.26Å; L2132-S2135 PolarHBondContact O-N 3.06Å; L2132-S2135 VanDerWaalsContact O-N 3.07Å; L2132-S2135 PolarHBondContact O-OG 3.44Å; A2133-S2135 PolarHBondContact O-N 3.01Å; S2135-L2137 PolarHBondContact O-N 3.19Å; S2135-R2138 PolarHBondContact O-N 2.85Å |
| 2136 | F | 72.9 | Confident | 61.1 | Low | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -11.5 | 173 | -66 | -76.9 | 0 | 0 | 0 | 114 | L2017 P2018 F2021 W2094 L2132 A2133 N2134 R2138 L2141 L2142 C2145 L2172 | L2017-F2136 HydrophobicContact CB-CE1 4Å; L2017-F2136 HydrophobicContact CB-CZ 3.89Å; P2018-F2136 HydrophobicContact CB-CE1 4.34Å; P2018-F2136 HydrophobicContact CG-CD1 4.49Å; P2018-F2136 HydrophobicContact CG-CE1 4.04Å; F2021-F2136 HydrophobicContact CB-CE1 4.13Å; F2021-F2136 HydrophobicContact CB-CE2 3.86Å; F2021-F2136 HydrophobicContact CB-CZ 3.56Å; F2021-F2136 HydrophobicContact CD2-CD2 4.28Å; F2021-F2136 AromaticContact CD2-CE2 3.97Å; F2021-F2136 HydrophobicContact CD2-CE2 3.97Å; F2021-F2136 HydrophobicContact CG-CD2 4.22Å; F2021-F2136 AromaticContact CG-CE2 3.86Å; F2021-F2136 HydrophobicContact CG-CE2 3.86Å; F2021-F2136 HydrophobicContact CG-CZ 4.02Å; W2094-F2136 HydrophobicContact CH2-CE2 4.17Å; L2132-F2136 WeakPolarHBondContact O-CD2 3.34Å; A2133-F2136 PolarHBondContact O-N 2.95Å; N2134-F2136 VanDerWaalsContact C-N 3.31Å; N2134-F2136 PolarHBondContact O-N 3.07Å; F2136-R2138 VanDerWaalsContact C-N 3.29Å; F2136-L2141 HydrophobicContact CD1-CB 4.36Å; F2136-L2142 VanDerWaalsContact O-CA 3.29Å; F2136-L2142 WeakPolarHBondContact O-CA 3.39Å; F2136-L2142 WeakPolarHBondContact O-CB 3.32Å; F2136-C2145 HydrophobicContact CD1-CB 4.32Å; F2136-L2172 HydrophobicContact CB-CD2 4.05Å |
| 2137 | L | 72.4 | Confident | 64.1 | Low | 6 Ų | 6 | 42.5 Ų | 42.5 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 4.3 | 174.3 | -60.6 | 171.9 | 0 | 0 | 0 | 112.5 | N2134 S2135 L2172 R2175 M2176 A2297 L2301 | N2134-L2137 PolarHBondContact O-N 3.31Å; S2135-L2137 PolarHBondContact O-N 3.19Å; L2137-L2172 HydrophobicContact CD2-CB 4.35Å; L2137-L2172 HydrophobicContact CD2-CD2 3.91Å; L2137-L2172 HydrophobicContact CG-CD2 4.43Å; L2137-R2175 HydrophobicContact CD1-CB 4.15Å; L2137-M2176 HydrophobicContact CD1-SD 3.66Å; L2137-M2176 HydrophobicContact CD2-CG 4.45Å; L2137-M2176 HydrophobicContact CD2-SD 3.69Å; L2137-M2176 HydrophobicContact CG-SD 4.19Å; L2137-A2297 HydrophobicContact CD2-CB 4.38Å; L2137-L2301 HydrophobicContact CD2-CD1 4.46Å |
| 2138 | R | 77.1 | Confident | 66.9 | Low | 108 Ų | 108 | 39.9 Ų | 39.9 | 41% | 0.408 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -121.8 | 151.6 | 178.1 | -68.2 | -176.9 | 177.2 | 161.2 | -2.6 | 111.5 | S2135 F2136 L2141 L2142 N2290 | S2135-R2138 PolarHBondContact O-N 2.85Å; F2136-R2138 VanDerWaalsContact C-N 3.29Å; R2138-L2141 PolarHBondContact O-N 3.39Å; R2138-L2142 WeakPolarHBondContact O-CB 2.65Å; R2138-L2142 PolarHBondContact O-N 3.04Å; R2138-N2290 PolarHBondContact NH2-OD1 3.42Å |
| 2139 | R | 68.5 | Low | 69.7 | Low | 142 Ų | 142 | 34.6 Ų | 34.6 | 54% | 0.536 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 153.4 | 174.1 | -64.8 | -162.4 | 138.4 | 125.2 | 7.8 | 112 | L2141 D2143 H2296 | R2139-L2141 VanDerWaalsContact C-N 3.31Å; R2139-D2143 WeakPolarHBondContact CD-OD2 2.73Å; R2139-D2143 WeakPolarHBondContact CG-OD2 3.42Å; R2139-D2143 IonicContact CZ-OD1 3.67Å; R2139-D2143 VanDerWaalsContact CZ-OD1 3.31Å; R2139-D2143 VanDerWaalsContact NE-CG 3.34Å; R2139-D2143 IonicContact NE-OD1 3.13Å; R2139-D2143 PolarHBondContact NE-OD1 3.11Å; R2139-D2143 IonicContact NE-OD2 2.85Å; R2139-D2143 PolarHBondContact NE-OD2 2.73Å; R2139-D2143 VanDerWaalsContact NE-OD2 3.07Å; R2139-D2143 IonicContact NH2-OD1 3.67Å; R2139-D2143 PolarHBondContact NH2-OD1 3.29Å; R2139-H2296 PolarHBondContact NH2-NE2 3.39Å |
| 2140 | P | 69.4 | Low | 72.2 | Confident | 30 Ų | 30 | 37.4 Ų | 37.4 | 20% | 0.195 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -84.3 | -0.5 | -10.5 | 37 | -37.9 | 0 | 0 | 0 | 112.7 | F2113 L2142 D2143 H2144 | F2113-P2140 HydrophobicContact CE1-CG 3.93Å; F2113-P2140 HydrophobicContact CE2-CG 4.24Å; F2113-P2140 HydrophobicContact CZ-CG 3.63Å; P2140-L2142 VanDerWaalsContact C-N 3.27Å; P2140-L2142 PolarHBondContact O-N 3.46Å; P2140-D2143 WeakPolarHBondContact CA-OD2 3.19Å; P2140-D2143 PolarHBondContact O-N 3.01Å; P2140-H2144 PolarHBondContact O-N 3.39Å; P2140-H2144 PolarHBondContact O-ND1 2.96Å |
| 2141 | L | 75.6 | Confident | 74.4 | Confident | 13 Ų | 13 | 35.8 Ų | 35.8 | 7% | 0.068 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.4 | -38 | 179.3 | -74.7 | 171.9 | 0 | 0 | 0 | 111.7 | F2136 R2138 R2139 C2145 | F2136-L2141 HydrophobicContact CD1-CB 4.36Å; R2138-L2141 PolarHBondContact O-N 3.39Å; R2139-L2141 VanDerWaalsContact C-N 3.31Å; L2141-C2145 WeakPolarHBondContact O-CB 3.24Å; L2141-C2145 PolarHBondContact O-N 3.18Å |
| 2142 | L | 80.7 | Confident | 76.1 | Confident | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.016 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.3 | -53.7 | 172.7 | 178.5 | 63.9 | 0 | 0 | 0 | 111.6 | F2136 R2138 P2140 H2144 C2145 T2146 A2297 I2300 | F2136-L2142 VanDerWaalsContact O-CA 3.29Å; F2136-L2142 WeakPolarHBondContact O-CA 3.39Å; F2136-L2142 WeakPolarHBondContact O-CB 3.32Å; R2138-L2142 WeakPolarHBondContact O-CB 2.65Å; R2138-L2142 PolarHBondContact O-N 3.04Å; P2140-L2142 VanDerWaalsContact C-N 3.27Å; P2140-L2142 PolarHBondContact O-N 3.46Å; L2142-H2144 VanDerWaalsContact C-N 3.34Å; L2142-H2144 PolarHBondContact O-N 2.89Å; L2142-C2145 PolarHBondContact O-N 3.06Å; L2142-T2146 HydrophobicContact CD1-CG2 3.87Å; L2142-T2146 HydrophobicContact CG-CG2 4.47Å; L2142-T2146 WeakPolarHBondContact O-CB 3.23Å; L2142-T2146 VanDerWaalsContact O-CG2 3.29Å; L2142-T2146 WeakPolarHBondContact O-CG2 3.47Å; L2142-T2146 PolarHBondContact O-N 3.35Å; L2142-T2146 PolarHBondContact O-OG1 3.45Å; L2142-A2297 HydrophobicContact CD1-CB 4.11Å; L2142-A2297 HydrophobicContact CD2-CB 3.83Å; L2142-I2300 HydrophobicContact CD2-CD1 4.05Å; L2142-I2300 HydrophobicContact CG-CD1 4.26Å |
| 2143 | D | 81 | Confident | 77.5 | Confident | 47 Ų | 47 | 33.7 Ų | 33.7 | 25% | 0.251 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -62.7 | -42 | -177.8 | -46.3 | -72.9 | 0 | 0 | 0 | 111.1 | R2139 P2140 T2146 Q2147 | R2139-D2143 WeakPolarHBondContact CD-OD2 2.73Å; R2139-D2143 WeakPolarHBondContact CG-OD2 3.42Å; R2139-D2143 IonicContact CZ-OD1 3.67Å; R2139-D2143 VanDerWaalsContact CZ-OD1 3.31Å; R2139-D2143 VanDerWaalsContact NE-CG 3.34Å; R2139-D2143 IonicContact NE-OD1 3.13Å; R2139-D2143 PolarHBondContact NE-OD1 3.11Å; R2139-D2143 IonicContact NE-OD2 2.85Å; R2139-D2143 PolarHBondContact NE-OD2 2.73Å; R2139-D2143 VanDerWaalsContact NE-OD2 3.07Å; R2139-D2143 IonicContact NH2-OD1 3.67Å; R2139-D2143 PolarHBondContact NH2-OD1 3.29Å; P2140-D2143 WeakPolarHBondContact CA-OD2 3.19Å; P2140-D2143 PolarHBondContact O-N 3.01Å; D2143-T2146 WeakPolarHBondContact CA-OG1 3.42Å; D2143-T2146 PolarHBondContact O-OG1 3.31Å; D2143-T2146 VanDerWaalsContact O-OG1 3.13Å; D2143-Q2147 WeakPolarHBondContact O-CB 3.45Å; D2143-Q2147 PolarHBondContact O-N 3.07Å |
| 2144 | H | 82 | Confident | 78.7 | Confident | 69 Ų | 69 | 35.4 Ų | 35.4 | 32% | 0.319 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -69.2 | -37.4 | 177.5 | -73.1 | 71.6 | 0 | 0 | 0 | 113 | C2014 P2018 P2140 L2142 L2148 | C2014-H2144 WeakPolarHBondContact O-CB 3.35Å; C2014-H2144 PolarHBondContact O-CD2 3.45Å; P2018-H2144 HydrophobicContact CG-CB 4.42Å; P2140-H2144 PolarHBondContact O-N 3.39Å; P2140-H2144 PolarHBondContact O-ND1 2.96Å; L2142-H2144 VanDerWaalsContact C-N 3.34Å; L2142-H2144 PolarHBondContact O-N 2.89Å; H2144-L2148 WeakPolarHBondContact O-CB 3.2Å; H2144-L2148 PolarHBondContact O-N 3.26Å |
| 2145 | C | 83.4 | Confident | 79.3 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.02 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.5 | -40.4 | 177.3 | -173.1 | 0 | 0 | 0 | 0 | 111.5 | P2018 F2136 L2141 L2142 L2148 L2149 | P2018-C2145 HydrophobicContact CB-CB 3.93Å; P2018-C2145 HydrophobicContact CG-CB 4.19Å; F2136-C2145 HydrophobicContact CD1-CB 4.32Å; L2141-C2145 WeakPolarHBondContact O-CB 3.24Å; L2141-C2145 PolarHBondContact O-N 3.18Å; L2142-C2145 PolarHBondContact O-N 3.06Å; C2145-L2148 PolarHBondContact O-N 3.49Å; C2145-L2149 WeakPolarHBondContact O-CB 3.19Å; C2145-L2149 WeakPolarHBondContact O-CG 3.41Å; C2145-L2149 PolarHBondContact O-N 2.97Å |
| 2146 | T | 82.6 | Confident | 79.5 | Confident | 16 Ų | 16 | 38.7 Ų | 38.7 | 10% | 0.098 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70.2 | -36.2 | 177.7 | 52 | 0 | 0 | 0 | 0 | 112 | L2142 D2143 L2149 Y2150 I2300 | L2142-T2146 HydrophobicContact CD1-CG2 3.87Å; L2142-T2146 HydrophobicContact CG-CG2 4.47Å; L2142-T2146 WeakPolarHBondContact O-CB 3.23Å; L2142-T2146 VanDerWaalsContact O-CG2 3.29Å; L2142-T2146 WeakPolarHBondContact O-CG2 3.47Å; L2142-T2146 PolarHBondContact O-N 3.35Å; L2142-T2146 PolarHBondContact O-OG1 3.45Å; D2143-T2146 WeakPolarHBondContact CA-OG1 3.42Å; D2143-T2146 PolarHBondContact O-OG1 3.31Å; D2143-T2146 VanDerWaalsContact O-OG1 3.13Å; T2146-L2149 PolarHBondContact O-N 2.97Å; T2146-Y2150 WeakPolarHBondContact O-CB 3.38Å; T2146-Y2150 PolarHBondContact O-N 3.03Å; T2146-I2300 HydrophobicContact CG2-CB 4.43Å; T2146-I2300 HydrophobicContact CG2-CG2 3.5Å |
| 2147 | Q | 84.4 | Confident | 79.3 | Confident | 93 Ų | 93 | 42 Ų | 42 | 44% | 0.435 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.8 | -49.3 | 166.9 | -172 | 65.8 | 53.6 | 0 | 0 | 111.2 | D2143 L2149 Y2150 D2151 | D2143-Q2147 WeakPolarHBondContact O-CB 3.45Å; D2143-Q2147 PolarHBondContact O-N 3.07Å; Q2147-L2149 VanDerWaalsContact C-N 3.26Å; Q2147-L2149 PolarHBondContact O-N 3.13Å; Q2147-Y2150 WeakPolarHBondContact O-CA 3.44Å; Q2147-Y2150 WeakPolarHBondContact O-CB 3.06Å; Q2147-Y2150 PolarHBondContact O-N 3.33Å; Q2147-D2151 PolarHBondContact NE2-OD1 3.39Å; Q2147-D2151 PolarHBondContact O-N 3.14Å |
| 2148 | L | 85.6 | Confident | 79.2 | Confident | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.2 | -39.7 | 177.7 | -174 | 79.5 | 0 | 0 | 0 | 112.3 | R1964 P2018 L2019 L2022 H2144 C2145 A2152 | R1964-L2148 HydrophobicContact CG-CD1 3.96Å; P2018-L2148 VanDerWaalsContact C-CD2 3.49Å; P2018-L2148 HydrophobicContact CB-CD2 3.89Å; P2018-L2148 WeakPolarHBondContact O-CD2 3.45Å; L2019-L2148 HydrophobicContact CB-CD2 4.31Å; L2019-L2148 HydrophobicContact CD1-CD1 4.43Å; L2019-L2148 HydrophobicContact CD1-CD2 4.5Å; L2022-L2148 HydrophobicContact CB-CD2 4.16Å; L2022-L2148 HydrophobicContact CD2-CD2 3.68Å; L2022-L2148 HydrophobicContact CD2-CG 4Å; H2144-L2148 WeakPolarHBondContact O-CB 3.2Å; H2144-L2148 PolarHBondContact O-N 3.26Å; C2145-L2148 PolarHBondContact O-N 3.49Å; L2148-A2152 WeakPolarHBondContact O-CB 3.07Å; L2148-A2152 PolarHBondContact O-N 3.45Å |
| 2149 | L | 86.4 | Confident | 78.8 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.8 | -32.7 | 176.7 | -69.5 | 165.7 | 0 | 0 | 0 | 112.5 | L2022 C2145 T2146 Q2147 L2153 A2165 A2168 I2169 L2172 L2304 | L2022-L2149 HydrophobicContact CD1-CD2 3.87Å; C2145-L2149 WeakPolarHBondContact O-CB 3.19Å; C2145-L2149 WeakPolarHBondContact O-CG 3.41Å; C2145-L2149 PolarHBondContact O-N 2.97Å; T2146-L2149 PolarHBondContact O-N 2.97Å; Q2147-L2149 VanDerWaalsContact C-N 3.26Å; Q2147-L2149 PolarHBondContact O-N 3.13Å; L2149-L2153 WeakPolarHBondContact O-CB 3.35Å; L2149-L2153 WeakPolarHBondContact O-CD1 3.45Å; L2149-L2153 WeakPolarHBondContact O-CG 3.28Å; L2149-L2153 PolarHBondContact O-N 3.38Å; L2149-A2165 HydrophobicContact CD2-CB 3.72Å; L2149-A2168 HydrophobicContact CD2-CB 3.98Å; L2149-I2169 HydrophobicContact CD1-CG1 3.96Å; L2149-I2169 HydrophobicContact CD2-CG1 4.34Å; L2149-L2172 HydrophobicContact CD1-CD1 4.06Å; L2149-L2304 HydrophobicContact CB-CD2 3.75Å; L2149-L2304 HydrophobicContact CD1-CD2 4.34Å |
| 2150 | Y | 87 | Confident | 79 | Confident | 80 Ų | 80 | 39.4 Ų | 39.4 | 31% | 0.314 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64 | -54.6 | 171.8 | -177.8 | -82 | 0 | 0 | 0 | 110.5 | T2146 Q2147 A2152 L2153 L2154 L2304 | T2146-Y2150 WeakPolarHBondContact O-CB 3.38Å; T2146-Y2150 PolarHBondContact O-N 3.03Å; Q2147-Y2150 WeakPolarHBondContact O-CA 3.44Å; Q2147-Y2150 WeakPolarHBondContact O-CB 3.06Å; Q2147-Y2150 PolarHBondContact O-N 3.33Å; Y2150-A2152 PolarHBondContact O-N 3.26Å; Y2150-L2153 PolarHBondContact O-N 2.96Å; Y2150-L2154 HydrophobicContact CD2-CD1 3.69Å; Y2150-L2154 HydrophobicContact CE1-CD1 4.34Å; Y2150-L2154 HydrophobicContact CE2-CD1 3.38Å; Y2150-L2154 HydrophobicContact CG-CD1 4.28Å; Y2150-L2154 WeakPolarHBondContact O-CB 3.49Å; Y2150-L2154 PolarHBondContact O-N 3.2Å; Y2150-L2304 HydrophobicContact CD2-CD1 4.28Å |
| 2151 | D | 84.5 | Confident | 79.4 | Confident | 12 Ų | 12 | 38 Ų | 38 | 6% | 0.064 | 19% | 0.188 | C | C | . | . | I | π-helix | trans | -53.8 | -45.3 | 175.8 | -44.6 | -12.4 | 0 | 0 | 0 | 110.2 | R1964 L1968 Q2147 L2153 E2155 S2156 | R1964-D2151 IonicContact CZ-OD2 2.69Å; R1964-D2151 IonicContact NE-OD2 3.7Å; R1964-D2151 PolarHBondContact NE-OD2 2.98Å; R1964-D2151 IonicContact NH2-OD1 3.23Å; R1964-D2151 IonicContact NH2-OD2 3.25Å; R1964-D2151 PolarHBondContact NH2-OD2 2.99Å; L1968-D2151 HydrophobicContact CD1-CB 3.66Å; L1968-D2151 WeakPolarHBondContact CD1-OD2 3.3Å; L1968-D2151 HydrophobicContact CD2-CB 3.86Å; L1968-D2151 HydrophobicContact CG-CB 4.4Å; Q2147-D2151 PolarHBondContact NE2-OD1 3.39Å; Q2147-D2151 PolarHBondContact O-N 3.14Å; D2151-L2153 PolarHBondContact O-N 3.06Å; D2151-E2155 WeakPolarHBondContact O-CA 3.24Å; D2151-E2155 WeakPolarHBondContact O-CB 3.41Å; D2151-E2155 PolarHBondContact O-N 3.44Å; D2151-S2156 PolarHBondContact O-N 2.62Å |
| 2152 | A | 84.1 | Confident | 79.7 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -66 | -31.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L1968 L2022 L2148 Y2150 S2156 V2161 A2165 | L1968-A2152 HydrophobicContact CD2-CB 4.13Å; L2022-A2152 HydrophobicContact CD2-CB 4.24Å; L2148-A2152 WeakPolarHBondContact O-CB 3.07Å; L2148-A2152 PolarHBondContact O-N 3.45Å; Y2150-A2152 PolarHBondContact O-N 3.26Å; A2152-S2156 PolarHBondContact O-OG 3.2Å; A2152-V2161 HydrophobicContact CB-CG1 3.65Å; A2152-A2165 HydrophobicContact CB-CB 3.89Å |
| 2153 | L | 80.5 | Confident | 79.7 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | I | π-helix | trans | -97.7 | -19.7 | -176.4 | -74.8 | 167.5 | 0 | 0 | 0 | 114.8 | L2149 Y2150 D2151 H2162 A2165 I2169 A2308 C2312 W2315 | L2149-L2153 WeakPolarHBondContact O-CB 3.35Å; L2149-L2153 WeakPolarHBondContact O-CD1 3.45Å; L2149-L2153 WeakPolarHBondContact O-CG 3.28Å; L2149-L2153 PolarHBondContact O-N 3.38Å; Y2150-L2153 PolarHBondContact O-N 2.96Å; D2151-L2153 PolarHBondContact O-N 3.06Å; L2153-H2162 HydrophobicContact CD2-CB 4.42Å; L2153-H2162 PolarHBondContact O-CD2 3.06Å; L2153-H2162 PolarHBondContact O-NE2 3.41Å; L2153-A2165 HydrophobicContact CD1-CB 4.13Å; L2153-A2165 HydrophobicContact CD2-CB 3.85Å; L2153-A2165 HydrophobicContact CG-CB 3.66Å; L2153-I2169 HydrophobicContact CD1-CD1 3.47Å; L2153-I2169 VanDerWaalsContact CD1-CD1 3.47Å; L2153-A2308 HydrophobicContact CD1-CB 4.3Å; L2153-C2312 PolarHBondContact O-SG 3.09Å; L2153-C2312 VanDerWaalsContact O-SG 3.37Å; L2153-W2315 HydrophobicContact CD2-CH2 4.1Å |
| 2154 | L | 80.4 | Confident | 79.8 | Confident | 46 Ų | 46 | 39.3 Ų | 39.3 | 24% | 0.241 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -127.1 | -23.1 | -170.5 | -64.1 | 175.2 | 0 | 0 | 0 | 114.3 | Y2150 K2311 | Y2150-L2154 HydrophobicContact CD2-CD1 3.69Å; Y2150-L2154 HydrophobicContact CE1-CD1 4.34Å; Y2150-L2154 HydrophobicContact CE2-CD1 3.38Å; Y2150-L2154 HydrophobicContact CG-CD1 4.28Å; Y2150-L2154 WeakPolarHBondContact O-CB 3.49Å; Y2150-L2154 PolarHBondContact O-N 3.2Å; L2154-K2311 HydrophobicContact CD1-CD 4.16Å; L2154-K2311 HydrophobicContact CD2-CB 3.67Å; L2154-K2311 HydrophobicContact CD2-CD 3.77Å; L2154-K2311 HydrophobicContact CD2-CG 4.33Å |
| 2155 | E | 76.9 | Confident | 79.9 | Confident | 132 Ų | 132 | 36 Ų | 36 | 62% | 0.617 | 18% | 0.178 | S | C | * | . | I | π-helix | trans | -109.7 | -35.4 | 178.7 | -56.9 | -177.2 | 173.8 | 0 | 0 | 112.3 | D2151 | D2151-E2155 WeakPolarHBondContact O-CA 3.24Å; D2151-E2155 WeakPolarHBondContact O-CB 3.41Å; D2151-E2155 PolarHBondContact O-N 3.44Å |
| 2156 | S | 74.5 | Confident | 80 | Confident | 5 Ų | 5 | 35.9 Ų | 35.9 | 4% | 0.035 | 18% | 0.177 | C | C | . | . | trans | -72.9 | 131.5 | 177.4 | 103.8 | 0 | 0 | 0 | 0 | 110.9 | D2151 A2152 N2158 V2161 H2162 | D2151-S2156 PolarHBondContact O-N 2.62Å; A2152-S2156 PolarHBondContact O-OG 3.2Å; S2156-N2158 VanDerWaalsContact C-N 3.33Å; S2156-V2161 WeakPolarHBondContact OG-CG1 3.23Å; S2156-H2162 PolarHBondContact O-CE1 3.17Å | ||
| 2157 | P | 68 | Low | 80 | Confident | 70 Ų | 70 | 35.3 Ų | 35.3 | 46% | 0.455 | 17% | 0.173 | S | C | . | . | trans | -88 | 1.1 | 178.5 | 34.6 | -35.3 | 0 | 0 | 0 | 113.4 | P1970 | P1970-P2157 HydrophobicContact CB-CG 3.62Å; P1970-P2157 HydrophobicContact CG-CG 3.8Å | ||
| 2158 | N | 71.2 | Confident | 80 | Confident | 10 Ų | 10 | 30.9 Ų | 30.9 | 5% | 0.053 | 15% | 0.153 | C | C | . | . | trans | -88 | 114.7 | -171.4 | -60 | -23.9 | 0 | 0 | 0 | 110.4 | Q1969 E1971 S2156 S2160 V2161 H2162 | Q1969-N2158 PolarHBondContact O-ND2 3.06Å; E1971-N2158 PolarHBondContact N-OD1 3.18Å; E1971-N2158 VanDerWaalsContact N-OD1 3.07Å; S2156-N2158 VanDerWaalsContact C-N 3.33Å; N2158-S2160 PolarHBondContact O-N 2.83Å; N2158-S2160 VanDerWaalsContact O-N 3.17Å; N2158-V2161 HydrophobicContact CB-CB 4.2Å; N2158-V2161 HydrophobicContact CB-CG2 3.9Å; N2158-V2161 PolarHBondContact O-N 2.85Å; N2158-H2162 PolarHBondContact O-N 3.44Å; N2158-H2162 VanDerWaalsContact O-N 3.17Å; N2158-H2162 PolarHBondContact O-ND1 2.93Å | ||
| 2159 | W | 68.9 | Low | 80.2 | Confident | 131 Ų | 131 | 30.7 Ų | 30.7 | 50% | 0.496 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61.9 | -24.6 | -179.5 | -62.9 | 118.5 | 0 | 0 | 0 | 114.3 | H2162 N2163 Q2313 W2315 | W2159-H2162 HydrophobicContact CE3-CB 4.34Å; W2159-H2162 AromaticContact CE3-CE1 3.9Å; W2159-H2162 AromaticContact CE3-CG 3.95Å; W2159-H2162 AromaticContact CE3-ND1 3.78Å; W2159-H2162 AromaticContact CZ3-CE1 3.86Å; W2159-H2162 AromaticContact CZ3-NE2 3.74Å; W2159-N2163 PolarHBondContact O-N 3.22Å; W2159-Q2313 HydrophobicContact CH2-CB 4.23Å; W2159-W2315 HydrophobicContact CE3-CB 4.07Å; W2159-W2315 AromaticContact CE3-CD2 3.96Å; W2159-W2315 HydrophobicContact CE3-CD2 3.96Å; W2159-W2315 AromaticContact CE3-CE3 3.91Å; W2159-W2315 HydrophobicContact CE3-CE3 3.91Å; W2159-W2315 AromaticContact CE3-CG 3.97Å; W2159-W2315 HydrophobicContact CE3-CG 3.97Å; W2159-W2315 HydrophobicContact CH2-CE3 4.49Å; W2159-W2315 HydrophobicContact CZ3-CB 4.27Å; W2159-W2315 AromaticContact CZ3-CD2 3.99Å; W2159-W2315 HydrophobicContact CZ3-CD2 3.99Å; W2159-W2315 AromaticContact CZ3-CE3 3.46Å; W2159-W2315 HydrophobicContact CZ3-CE3 3.46Å; W2159-W2315 VanDerWaalsContact CZ3-CE3 3.46Å; W2159-W2315 HydrophobicContact CZ3-CG 4.29Å; W2159-W2315 HydrophobicContact CZ3-CZ3 4.12Å |
| 2160 | S | 71.7 | Confident | 80.2 | Confident | 61 Ų | 61 | 30.7 Ų | 30.7 | 43% | 0.427 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -64.8 | -42.5 | 171.7 | 48.7 | 0 | 0 | 0 | 0 | 112.4 | N2158 N2163 Q2164 | N2158-S2160 PolarHBondContact O-N 2.83Å; N2158-S2160 VanDerWaalsContact O-N 3.17Å; S2160-N2163 PolarHBondContact O-N 3.15Å; S2160-Q2164 WeakPolarHBondContact O-CG 3.47Å; S2160-Q2164 PolarHBondContact O-N 3.01Å |
| 2161 | V | 78.3 | Confident | 80 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.5 | -40.9 | 177.7 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | Y1967 H1991 A2152 S2156 N2158 N2163 Q2164 A2165 | Y1967-V2161 HydrophobicContact CE1-CG1 3.83Å; Y1967-V2161 HydrophobicContact CE1-CG2 4.24Å; H1991-V2161 WeakPolarHBondContact NE2-CG2 3.15Å; A2152-V2161 HydrophobicContact CB-CG1 3.65Å; S2156-V2161 WeakPolarHBondContact OG-CG1 3.23Å; N2158-V2161 HydrophobicContact CB-CB 4.2Å; N2158-V2161 HydrophobicContact CB-CG2 3.9Å; N2158-V2161 PolarHBondContact O-N 2.85Å; V2161-N2163 VanDerWaalsContact C-N 3.34Å; V2161-N2163 PolarHBondContact O-N 2.72Å; V2161-Q2164 PolarHBondContact O-N 3.14Å; V2161-A2165 WeakPolarHBondContact O-CB 3.27Å; V2161-A2165 PolarHBondContact O-N 2.87Å |
| 2162 | H | 81.4 | Confident | 80 | Confident | 12 Ų | 12 | 27.8 Ų | 27.8 | 6% | 0.056 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.3 | -42.7 | 171.6 | -71.4 | 86.9 | 0 | 0 | 0 | 112.9 | L2153 S2156 N2158 W2159 S2166 W2315 | L2153-H2162 HydrophobicContact CD2-CB 4.42Å; L2153-H2162 PolarHBondContact O-CD2 3.06Å; L2153-H2162 PolarHBondContact O-NE2 3.41Å; S2156-H2162 PolarHBondContact O-CE1 3.17Å; N2158-H2162 PolarHBondContact O-N 3.44Å; N2158-H2162 VanDerWaalsContact O-N 3.17Å; N2158-H2162 PolarHBondContact O-ND1 2.93Å; W2159-H2162 HydrophobicContact CE3-CB 4.34Å; W2159-H2162 AromaticContact CE3-CE1 3.9Å; W2159-H2162 AromaticContact CE3-CG 3.95Å; W2159-H2162 AromaticContact CE3-ND1 3.78Å; W2159-H2162 AromaticContact CZ3-CE1 3.86Å; W2159-H2162 AromaticContact CZ3-NE2 3.74Å; H2162-S2166 VanDerWaalsContact O-CB 3.3Å; H2162-S2166 WeakPolarHBondContact O-CB 3.41Å; H2162-S2166 PolarHBondContact O-N 2.79Å; H2162-S2166 PolarHBondContact O-OG 2.63Å; H2162-W2315 HydrophobicContact CB-CH2 3.91Å; H2162-W2315 HydrophobicContact CB-CZ2 3.74Å; H2162-W2315 HydrophobicContact CB-CZ3 4.35Å; H2162-W2315 AromaticContact CD2-CH2 3.73Å; H2162-W2315 AromaticContact CD2-CZ3 3.59Å |
| 2163 | N | 81.7 | Confident | 80.1 | Confident | 44 Ų | 44 | 27.8 Ų | 27.8 | 24% | 0.235 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.3 | -48.7 | 175.3 | -78.8 | -3.8 | 0 | 0 | 0 | 111.4 | W2159 S2160 V2161 A2165 S2166 F2167 W2315 G2317 | W2159-N2163 PolarHBondContact O-N 3.22Å; S2160-N2163 PolarHBondContact O-N 3.15Å; V2161-N2163 VanDerWaalsContact C-N 3.34Å; V2161-N2163 PolarHBondContact O-N 2.72Å; N2163-A2165 VanDerWaalsContact C-N 3.34Å; N2163-A2165 PolarHBondContact O-N 3.41Å; N2163-S2166 PolarHBondContact O-N 3.41Å; N2163-F2167 WeakPolarHBondContact O-CB 3.46Å; N2163-F2167 PolarHBondContact O-N 2.8Å; N2163-W2315 VanDerWaalsContact OD1-CD1 3.24Å; N2163-W2315 PolarHBondContact OD1-NE1 3.27Å; N2163-G2317 WeakPolarHBondContact OD1-CA 3.4Å |
| 2164 | Q | 81.5 | Confident | 80 | Confident | 34 Ų | 34 | 29.7 Ų | 29.7 | 16% | 0.159 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.9 | -43.2 | 178.7 | -72.7 | -165.7 | -39.8 | 0 | 0 | 111.8 | Y1967 L2022 S2023 S2160 V2161 F2167 A2168 | Y1967-Q2164 PolarHBondContact OH-OE1 2.85Å; L2022-Q2164 HydrophobicContact CD1-CB 4.12Å; S2023-Q2164 PolarHBondContact O-NE2 3.32Å; S2160-Q2164 WeakPolarHBondContact O-CG 3.47Å; S2160-Q2164 PolarHBondContact O-N 3.01Å; V2161-Q2164 PolarHBondContact O-N 3.14Å; Q2164-F2167 PolarHBondContact O-N 3.41Å; Q2164-A2168 WeakPolarHBondContact O-CB 3.28Å; Q2164-A2168 PolarHBondContact O-N 2.93Å |
| 2165 | A | 85.7 | Confident | 79.8 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.1 | -43.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L2022 L2149 A2152 L2153 V2161 N2163 F2167 A2168 I2169 | L2022-A2165 HydrophobicContact CD1-CB 3.89Å; L2149-A2165 HydrophobicContact CD2-CB 3.72Å; A2152-A2165 HydrophobicContact CB-CB 3.89Å; L2153-A2165 HydrophobicContact CD1-CB 4.13Å; L2153-A2165 HydrophobicContact CD2-CB 3.85Å; L2153-A2165 HydrophobicContact CG-CB 3.66Å; V2161-A2165 WeakPolarHBondContact O-CB 3.27Å; V2161-A2165 PolarHBondContact O-N 2.87Å; N2163-A2165 VanDerWaalsContact C-N 3.34Å; N2163-A2165 PolarHBondContact O-N 3.41Å; A2165-F2167 VanDerWaalsContact C-N 3.28Å; A2165-F2167 PolarHBondContact O-N 2.91Å; A2165-A2168 PolarHBondContact O-N 3.1Å; A2165-I2169 WeakPolarHBondContact O-CG1 3.46Å; A2165-I2169 PolarHBondContact O-N 3.17Å |
| 2166 | S | 85.1 | Confident | 79.8 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.6 | -35.5 | 176.6 | -58.8 | 0 | 0 | 0 | 0 | 112.4 | H2162 N2163 L2170 W2315 | H2162-S2166 VanDerWaalsContact O-CB 3.3Å; H2162-S2166 WeakPolarHBondContact O-CB 3.41Å; H2162-S2166 PolarHBondContact O-N 2.79Å; H2162-S2166 PolarHBondContact O-OG 2.63Å; N2163-S2166 PolarHBondContact O-N 3.41Å; S2166-L2170 PolarHBondContact O-N 3.44Å; S2166-W2315 WeakPolarHBondContact OG-CZ2 3.34Å |
| 2167 | F | 83 | Confident | 79.4 | Confident | 4 Ų | 4 | 25.8 Ų | 25.8 | 2% | 0.018 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -76 | -36 | 176.2 | -166 | -89 | 0 | 0 | 0 | 112.5 | Q2025 V2026 E2027 V2030 N2163 Q2164 A2165 L2170 Q2171 Y2320 | Q2025-F2167 HydrophobicContact CB-CD1 3.78Å; Q2025-F2167 HydrophobicContact CB-CE1 4.36Å; Q2025-F2167 HydrophobicContact CG-CD1 4.13Å; Q2025-F2167 VanDerWaalsContact OE1-CD1 3.28Å; V2026-F2167 WeakPolarHBondContact O-CE1 3.27Å; V2026-F2167 WeakPolarHBondContact O-CZ 3.43Å; E2027-F2167 HydrophobicContact CB-CE2 4.42Å; V2030-F2167 HydrophobicContact CB-CE1 4.41Å; V2030-F2167 HydrophobicContact CB-CE2 3.83Å; V2030-F2167 HydrophobicContact CB-CZ 3.52Å; V2030-F2167 HydrophobicContact CG2-CE1 3.73Å; V2030-F2167 HydrophobicContact CG2-CE2 4.06Å; V2030-F2167 HydrophobicContact CG2-CZ 3.31Å; N2163-F2167 WeakPolarHBondContact O-CB 3.46Å; N2163-F2167 PolarHBondContact O-N 2.8Å; Q2164-F2167 PolarHBondContact O-N 3.41Å; A2165-F2167 VanDerWaalsContact C-N 3.28Å; A2165-F2167 PolarHBondContact O-N 2.91Å; F2167-L2170 HydrophobicContact CD2-CD2 4.46Å; F2167-L2170 WeakPolarHBondContact O-CB 3.37Å; F2167-L2170 PolarHBondContact O-N 3.23Å; F2167-Q2171 HydrophobicContact CD1-CG 4.25Å; F2167-Q2171 HydrophobicContact CE1-CG 4.1Å; F2167-Q2171 PolarHBondContact O-N 3.48Å; F2167-Y2320 HydrophobicContact CD2-CD1 4.08Å; F2167-Y2320 HydrophobicContact CD2-CD2 4.4Å; F2167-Y2320 HydrophobicContact CD2-CE1 4.08Å; F2167-Y2320 HydrophobicContact CD2-CE2 4.4Å; F2167-Y2320 HydrophobicContact CD2-CG 4.27Å; F2167-Y2320 HydrophobicContact CE2-CE1 4.42Å |
| 2168 | A | 84.7 | Confident | 79.1 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.008 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.7 | -42.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F2021 L2022 Q2025 L2149 Q2164 A2165 Q2171 L2172 | F2021-A2168 HydrophobicContact CE1-CB 4.05Å; L2022-A2168 HydrophobicContact CD1-CB 4.06Å; Q2025-A2168 HydrophobicContact CG-CB 4.33Å; L2149-A2168 HydrophobicContact CD2-CB 3.98Å; Q2164-A2168 WeakPolarHBondContact O-CB 3.28Å; Q2164-A2168 PolarHBondContact O-N 2.93Å; A2165-A2168 PolarHBondContact O-N 3.1Å; A2168-Q2171 PolarHBondContact O-N 2.9Å; A2168-L2172 WeakPolarHBondContact O-CG 3.27Å; A2168-L2172 PolarHBondContact O-N 3.18Å |
| 2169 | I | 88.2 | Confident | 78.3 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.1 | -44.2 | 171.9 | -68.3 | 167.9 | 0 | 0 | 0 | 111.3 | L2149 L2153 A2165 Q2171 L2172 A2173 L2301 L2304 T2305 L2321 A2324 | L2149-I2169 HydrophobicContact CD1-CG1 3.96Å; L2149-I2169 HydrophobicContact CD2-CG1 4.34Å; L2153-I2169 HydrophobicContact CD1-CD1 3.47Å; L2153-I2169 VanDerWaalsContact CD1-CD1 3.47Å; A2165-I2169 WeakPolarHBondContact O-CG1 3.46Å; A2165-I2169 PolarHBondContact O-N 3.17Å; I2169-Q2171 VanDerWaalsContact C-N 3.28Å; I2169-Q2171 PolarHBondContact O-N 3.32Å; I2169-L2172 PolarHBondContact O-N 2.99Å; I2169-A2173 WeakPolarHBondContact O-CB 3.32Å; I2169-A2173 PolarHBondContact O-N 3.49Å; I2169-L2301 HydrophobicContact CG1-CD2 4.5Å; I2169-L2301 HydrophobicContact CG2-CD2 4.39Å; I2169-L2304 HydrophobicContact CD1-CD2 3.74Å; I2169-L2304 HydrophobicContact CD1-CG 4.01Å; I2169-L2304 HydrophobicContact CG1-CD2 4.29Å; I2169-T2305 HydrophobicContact CG2-CG2 3.48Å; I2169-T2305 VanDerWaalsContact CG2-CG2 3.48Å; I2169-L2321 HydrophobicContact CD1-CD2 4.18Å; I2169-A2324 HydrophobicContact CG2-CB 3.89Å |
| 2170 | L | 87 | Confident | 76.8 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.7 | -39.5 | 174.8 | 179 | 62.4 | 0 | 0 | 0 | 112 | V2030 S2166 F2167 T2174 Y2320 R2323 A2324 L2327 | V2030-L2170 HydrophobicContact CG1-CD2 3.8Å; V2030-L2170 HydrophobicContact CG1-CG 4.07Å; S2166-L2170 PolarHBondContact O-N 3.44Å; F2167-L2170 HydrophobicContact CD2-CD2 4.46Å; F2167-L2170 WeakPolarHBondContact O-CB 3.37Å; F2167-L2170 PolarHBondContact O-N 3.23Å; L2170-T2174 WeakPolarHBondContact O-CB 3.5Å; L2170-T2174 PolarHBondContact O-N 3.01Å; L2170-T2174 PolarHBondContact O-OG1 3.45Å; L2170-Y2320 HydrophobicContact CD2-CD1 3.81Å; L2170-Y2320 HydrophobicContact CD2-CG 4.37Å; L2170-R2323 HydrophobicContact CD1-CB 3.66Å; L2170-R2323 HydrophobicContact CD2-CB 4.34Å; L2170-A2324 HydrophobicContact CB-CB 4.32Å; L2170-A2324 HydrophobicContact CD1-CB 4.18Å; L2170-L2327 HydrophobicContact CD1-CD1 3.8Å |
| 2171 | Q | 83.1 | Confident | 75.1 | Confident | 29 Ų | 29 | 26.3 Ų | 26.3 | 14% | 0.136 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65 | -46.4 | 172.8 | -75.1 | -155.9 | -10.4 | 0 | 0 | 112.4 | F2021 Q2025 V2030 F2167 A2168 I2169 A2173 T2174 R2175 | F2021-Q2171 HydrophobicContact CZ-CB 4.44Å; Q2025-Q2171 VanDerWaalsContact NE2-OE1 3.07Å; V2030-Q2171 HydrophobicContact CG2-CG 3.9Å; F2167-Q2171 HydrophobicContact CD1-CG 4.25Å; F2167-Q2171 HydrophobicContact CE1-CG 4.1Å; F2167-Q2171 PolarHBondContact O-N 3.48Å; A2168-Q2171 PolarHBondContact O-N 2.9Å; I2169-Q2171 VanDerWaalsContact C-N 3.28Å; I2169-Q2171 PolarHBondContact O-N 3.32Å; Q2171-A2173 PolarHBondContact O-N 3.12Å; Q2171-T2174 CarbonylContact O-C 3.42Å; Q2171-T2174 WeakPolarHBondContact O-CB 3.42Å; Q2171-T2174 PolarHBondContact O-N 2.88Å; Q2171-T2174 VanDerWaalsContact O-N 3.15Å; Q2171-R2175 VanDerWaalsContact O-CG 3.28Å; Q2171-R2175 WeakPolarHBondContact O-CG 3.43Å; Q2171-R2175 PolarHBondContact O-N 3.42Å |
| 2172 | L | 85.1 | Confident | 72.5 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.5 | -45.5 | 178.1 | -68.6 | 169.2 | 0 | 0 | 0 | 111.2 | F2021 F2136 L2137 L2149 A2168 I2169 T2174 R2175 M2176 L2301 | F2021-L2172 HydrophobicContact CE1-CD1 4.34Å; F2021-L2172 HydrophobicContact CE1-CD2 4.17Å; F2021-L2172 HydrophobicContact CE1-CG 4.14Å; F2021-L2172 HydrophobicContact CZ-CD2 4.17Å; F2021-L2172 HydrophobicContact CZ-CG 4.26Å; F2136-L2172 HydrophobicContact CB-CD2 4.05Å; L2137-L2172 HydrophobicContact CD2-CB 4.35Å; L2137-L2172 HydrophobicContact CD2-CD2 3.91Å; L2137-L2172 HydrophobicContact CG-CD2 4.43Å; L2149-L2172 HydrophobicContact CD1-CD1 4.06Å; A2168-L2172 WeakPolarHBondContact O-CG 3.27Å; A2168-L2172 PolarHBondContact O-N 3.18Å; I2169-L2172 PolarHBondContact O-N 2.99Å; L2172-T2174 PolarHBondContact O-N 2.89Å; L2172-R2175 WeakPolarHBondContact O-CB 3.35Å; L2172-R2175 PolarHBondContact O-N 3.15Å; L2172-M2176 WeakPolarHBondContact O-CG 3.46Å; L2172-M2176 PolarHBondContact O-N 2.74Å; L2172-L2301 HydrophobicContact CB-CD1 3.98Å; L2172-L2301 HydrophobicContact CB-CD2 4.35Å; L2172-L2301 HydrophobicContact CD1-CD2 4.09Å |
| 2173 | A | 84.4 | Confident | 69.7 | Low | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61 | -40.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I2169 Q2171 R2175 M2176 A2324 L2327 L2328 | I2169-A2173 WeakPolarHBondContact O-CB 3.32Å; I2169-A2173 PolarHBondContact O-N 3.49Å; Q2171-A2173 PolarHBondContact O-N 3.12Å; A2173-R2175 VanDerWaalsContact C-N 3.25Å; A2173-R2175 PolarHBondContact O-N 3.49Å; A2173-M2176 PolarHBondContact O-N 3.14Å; A2173-A2324 HydrophobicContact CB-CB 4.28Å; A2173-L2327 HydrophobicContact CB-CB 4.07Å; A2173-L2328 HydrophobicContact CB-CD2 4.16Å; A2173-L2328 HydrophobicContact CB-CG 4.01Å |
| 2174 | T | 80.2 | Confident | 66.8 | Low | 41 Ų | 41 | 38.9 Ų | 38.9 | 25% | 0.252 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.4 | -29.6 | 173.8 | -53 | 0 | 0 | 0 | 0 | 112.2 | L2170 Q2171 L2172 L2327 | L2170-T2174 WeakPolarHBondContact O-CB 3.5Å; L2170-T2174 PolarHBondContact O-N 3.01Å; L2170-T2174 PolarHBondContact O-OG1 3.45Å; Q2171-T2174 CarbonylContact O-C 3.42Å; Q2171-T2174 WeakPolarHBondContact O-CB 3.42Å; Q2171-T2174 PolarHBondContact O-N 2.88Å; Q2171-T2174 VanDerWaalsContact O-N 3.15Å; L2172-T2174 PolarHBondContact O-N 2.89Å; T2174-L2327 VanDerWaalsContact OG1-CD1 3.23Å; T2174-L2327 WeakPolarHBondContact OG1-CD1 3.45Å |
| 2175 | R | 75.9 | Confident | 63.9 | Low | 84 Ų | 84 | 42.6 Ų | 42.6 | 32% | 0.317 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -77.2 | -32.4 | 176.6 | -67.2 | -71.9 | 172.9 | -168 | -4 | 112.8 | L2137 Q2171 L2172 A2173 G2178 Q2179 | L2137-R2175 HydrophobicContact CD1-CB 4.15Å; Q2171-R2175 VanDerWaalsContact O-CG 3.28Å; Q2171-R2175 WeakPolarHBondContact O-CG 3.43Å; Q2171-R2175 PolarHBondContact O-N 3.42Å; L2172-R2175 WeakPolarHBondContact O-CB 3.35Å; L2172-R2175 PolarHBondContact O-N 3.15Å; A2173-R2175 VanDerWaalsContact C-N 3.25Å; A2173-R2175 PolarHBondContact O-N 3.49Å; R2175-G2178 WeakPolarHBondContact O-CA 3.28Å; R2175-G2178 PolarHBondContact O-N 2.96Å; R2175-Q2179 PolarHBondContact O-N 3.42Å |
| 2176 | M | 75.8 | Confident | 60.9 | Low | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.5 | -50.4 | 173.3 | -66.5 | -58.1 | -64.9 | 0 | 0 | 111.4 | L2137 L2172 A2173 G2178 Q2179 A2294 A2297 F2331 | L2137-M2176 HydrophobicContact CD1-SD 3.66Å; L2137-M2176 HydrophobicContact CD2-CG 4.45Å; L2137-M2176 HydrophobicContact CD2-SD 3.69Å; L2137-M2176 HydrophobicContact CG-SD 4.19Å; L2172-M2176 WeakPolarHBondContact O-CG 3.46Å; L2172-M2176 PolarHBondContact O-N 2.74Å; A2173-M2176 PolarHBondContact O-N 3.14Å; M2176-G2178 PolarHBondContact O-N 3.46Å; M2176-Q2179 PolarHBondContact O-N 3.44Å; M2176-Q2179 VanDerWaalsContact O-N 3.13Å; M2176-A2294 HydrophobicContact CE-CB 3.95Å; M2176-A2294 WeakPolarHBondContact CE-O 3.3Å; M2176-A2297 HydrophobicContact SD-CB 4.38Å; M2176-F2331 HydrophobicContact CB-CD2 3.73Å; M2176-F2331 HydrophobicContact CB-CE2 3.91Å; M2176-F2331 HydrophobicContact CB-CG 4.43Å; M2176-F2331 HydrophobicContact CE-CD2 4.39Å; M2176-F2331 HydrophobicContact CE-CE1 4.15Å; M2176-F2331 HydrophobicContact CE-CE2 3.59Å; M2176-F2331 HydrophobicContact CE-CZ 3.45Å; M2176-F2331 VanDerWaalsContact CE-CZ 3.45Å |
| 2177 | L | 67.6 | Low | 57.7 | Low | 16 Ų | 16 | 56.4 Ų | 56.4 | 8% | 0.084 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | 0.9 | 172.8 | -72.4 | 168.4 | 0 | 0 | 0 | 115 | L2327 E2330 F2331 | L2177-L2327 HydrophobicContact CD1-CB 3.78Å; L2177-L2327 HydrophobicContact CD1-CD2 3.65Å; L2177-L2327 HydrophobicContact CD1-CG 4.22Å; L2177-L2327 WeakPolarHBondContact CD1-O 3.4Å; L2177-E2330 HydrophobicContact CD1-CB 4.07Å; L2177-E2330 HydrophobicContact CD2-CB 4.17Å; L2177-F2331 HydrophobicContact CD2-CB 4.12Å; L2177-F2331 HydrophobicContact CG-CB 4.39Å |
| 2178 | G | 60.7 | Low | 54.7 | Low | 52 Ų | 52 | 60.8 Ų | 60.8 | 54% | 0.536 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -5.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R2175 M2176 | R2175-G2178 WeakPolarHBondContact O-CA 3.28Å; R2175-G2178 PolarHBondContact O-N 2.96Å; M2176-G2178 PolarHBondContact O-N 3.46Å |
| 2179 | Q | 53.9 | Low | 51.6 | Low | 59 Ų | 59 | 66.7 Ų | 66.7 | 28% | 0.276 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -73.3 | 133.2 | 178.5 | -63.6 | -70.7 | 16.3 | 0 | 0 | 110.7 | N2134 R2175 M2176 F2181 | N2134-Q2179 PolarHBondContact ND2-OE1 2.84Å; R2175-Q2179 PolarHBondContact O-N 3.42Å; M2176-Q2179 PolarHBondContact O-N 3.44Å; M2176-Q2179 VanDerWaalsContact O-N 3.13Å; Q2179-F2181 PolarHBondContact O-N 2.95Å |
| 2180 | P | 38.4 | Very low | 48.3 | Very low | 106 Ų | 106 | 72.5 Ų | 72.5 | 69% | 0.688 | 44% | 0.436 | S | S | * | . | trans | -80.9 | 84.4 | -177.2 | 32.2 | -35 | 0 | 0 | 0 | 111.6 | S2182 | P2180-S2182 PolarHBondContact O-N 3.48Š| ||
| 2181 | F | 35.5 | Very low | 45.1 | Very low | 66 Ų | 66 | 80.5 Ų | 80.5 | 29% | 0.289 | 47% | 0.471 | S | S | . | . | trans | -59.7 | 125.8 | 178.3 | -75 | -62.5 | 0 | 0 | 0 | 113.1 | Q2179 T2183 F2331 Q2335 | Q2179-F2181 PolarHBondContact O-N 2.95Å; F2181-T2183 PolarHBondContact O-N 3.24Å; F2181-F2331 HydrophobicContact CE2-CD2 4.31Å; F2181-F2331 AromaticContact CE2-CE2 3.66Å; F2181-F2331 HydrophobicContact CE2-CE2 3.66Å; F2181-F2331 HydrophobicContact CE2-CZ 4.31Å; F2181-F2331 AromaticContact CZ-CE2 3.49Å; F2181-F2331 HydrophobicContact CZ-CE2 3.49Å; F2181-F2331 VanDerWaalsContact CZ-CE2 3.49Å; F2181-F2331 AromaticContact CZ-CZ 3.74Å; F2181-F2331 HydrophobicContact CZ-CZ 3.74Å; F2181-Q2335 HydrophobicContact CE2-CG 4.34Å; F2181-Q2335 HydrophobicContact CZ-CG 4.1Å | ||
| 2182 | S | 23.1 | Very low | 42.1 | Very low | 90 Ų | 90 | 86.6 Ų | 86.6 | 63% | 0.629 | 50% | 0.504 | S | S | * | . | trans | -99.2 | 78.7 | -178.6 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | P2180 S2184 | P2180-S2182 PolarHBondContact O-N 3.48Å; S2182-S2184 PolarHBondContact O-N 3.03Å; S2182-S2184 VanDerWaalsContact O-N 3.1Å | ||
| 2183 | T | 23.3 | Very low | 39 | Very low | 128 Ų | 128 | 94.3 Ų | 94.3 | 79% | 0.785 | 54% | 0.544 | S | S | * | . | trans | -44.1 | 117.7 | 176.9 | 56.5 | 0 | 0 | 0 | 0 | 112 | F2181 P2185 | F2181-T2183 PolarHBondContact O-N 3.24Å; T2183-P2185 WeakPolarHBondContact O-CD 3.48Å | ||
| 2184 | S | 19.7 | Very low | 35.8 | Very low | 101 Ų | 101 | 104.9 Ų | 104.9 | 71% | 0.706 | 58% | 0.584 | S | S | * | * | trans | -69.9 | 122.9 | 179 | 51.6 | 0 | 0 | 0 | 0 | 110.5 | S2182 I2186 | S2182-S2184 PolarHBondContact O-N 3.03Å; S2182-S2184 VanDerWaalsContact O-N 3.1Å; S2184-I2186 PolarHBondContact O-N 3.09Å; S2184-I2186 VanDerWaalsContact O-N 3.11Å | ||
| 2185 | P | 22.2 | Very low | 32.9 | Very low | 113 Ų | 113 | 109.1 Ų | 109.1 | 73% | 0.734 | 61% | 0.613 | S | S | * | * | trans | -83.4 | 92.8 | -177.8 | 31.8 | -33 | 0 | 0 | 0 | 110.4 | T2183 T2187 | T2183-P2185 WeakPolarHBondContact O-CD 3.48Å; P2185-T2187 PolarHBondContact O-N 2.79Å | ||
| 2186 | I | 22 | Very low | 30.2 | Very low | 156 Ų | 156 | 115 Ų | 115 | 80% | 0.8 | 64% | 0.637 | S | S | * | * | trans | -60.1 | 112.7 | 168.7 | -64.9 | 178.4 | 0 | 0 | 0 | 108.9 | S2184 S2188 | S2184-I2186 PolarHBondContact O-N 3.09Å; S2184-I2186 VanDerWaalsContact O-N 3.11Å; I2186-S2188 PolarHBondContact O-N 3.32Å | ||
| 2187 | T | 18.9 | Very low | 27.5 | Very low | 133 Ų | 133 | 118.8 Ų | 118.8 | 82% | 0.816 | 68% | 0.677 | S | S | * | * | trans | -88.6 | 92.4 | -175.2 | 36.5 | 0 | 0 | 0 | 0 | 112 | P2185 | P2185-T2187 PolarHBondContact O-N 2.79Š| ||
| 2188 | S | 19.4 | Very low | 25.1 | Very low | 96 Ų | 96 | 129.2 Ų | 129.2 | 67% | 0.671 | 72% | 0.715 | S | S | * | * | trans | -155.4 | 125.1 | 156.7 | 40.9 | 0 | 0 | 0 | 0 | 116.4 | I2186 | I2186-S2188 PolarHBondContact O-N 3.32Š| ||
| 2189 | V | 19.7 | Very low | 23.1 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 76% | 0.764 | 73% | 0.729 | S | S | * | * | trans | 66.7 | 101.6 | 135.7 | -176.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 2190 | N | 19.3 | Very low | 21.4 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 65% | 0.652 | 76% | 0.759 | S | S | * | * | trans | 65.2 | 116 | 140.5 | -78.2 | -39.1 | 0 | 0 | 0 | 122.8 | ||||
| 2191 | K | 19.4 | Very low | 20.5 | Very low | 168 Ų | 168 | 142.1 Ų | 142.1 | 73% | 0.73 | 76% | 0.759 | S | S | * | * | 44.2 | 119.8 | 114.2 | -60.4 | 177.4 | -175.4 | 173 | 0 | 119.3 | |||||
| 2192 | N | 20 | Very low | 19.7 | Very low | 157 Ų | 157 | 149.3 Ų | 149.3 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | trans | 62.2 | 58 | 137.4 | -58.3 | 2.7 | 0 | 0 | 0 | 118.1 | ||||
| 2193 | I | 18.9 | Very low | 19.4 | Very low | 164 Ų | 164 | 150.8 Ų | 150.8 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | -93.9 | 97.3 | 154.9 | -60.6 | -175.8 | 0 | 0 | 0 | 109.1 | ||||
| 2194 | R | 18.4 | Very low | 19.3 | Very low | 223 Ų | 223 | 151 Ų | 151 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | trans | -70 | 132.9 | 167.1 | -157.3 | 177.7 | -162.1 | 163.7 | 3.4 | 107.5 | Y2196 | R2194-Y2196 PolarHBondContact O-N 3.26Š| ||
| 2195 | C | 19 | Very low | 19.3 | Very low | 129 Ų | 129 | 153.8 Ų | 153.8 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | trans | -61.6 | 107.2 | -173.8 | -66.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2196 | Y | 18.8 | Very low | 19.1 | Very low | 209 Ų | 209 | 157.2 Ų | 157.2 | 82% | 0.82 | 79% | 0.792 | S | S | * | * | trans | -131 | 127 | 163.1 | -97.3 | -76.8 | 0 | 0 | 0 | 108.3 | R2194 R2198 | R2194-Y2196 PolarHBondContact O-N 3.26Å; Y2196-R2198 PolarHBondContact O-N 2.75Å | ||
| 2197 | G | 19.2 | Very low | 19.1 | Very low | 81 Ų | 81 | 155.1 Ų | 155.1 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -62.8 | 116.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 2198 | R | 17.3 | Very low | 19.2 | Very low | 234 Ų | 234 | 153.7 Ų | 153.7 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -137.3 | 86.7 | 162.3 | -127.7 | 179.9 | -173.5 | -177.9 | 2.3 | 109.6 | Y2196 R2200 | Y2196-R2198 PolarHBondContact O-N 2.75Å; R2198-R2200 VanDerWaalsContact C-N 3.31Å; R2198-R2200 PolarHBondContact O-N 3.49Å | ||
| 2199 | T | 19.6 | Very low | 19.5 | Very low | 137 Ų | 137 | 154.7 Ų | 154.7 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | -51.4 | 96.6 | 158.1 | 30.1 | 0 | 0 | 0 | 0 | 108.7 | T2201 | T2199-T2201 VanDerWaalsContact C-N 3.29Å; T2199-T2201 PolarHBondContact O-N 2.81Å; T2199-T2201 VanDerWaalsContact O-N 3.12Å | ||
| 2200 | R | 17.8 | Very low | 19.5 | Very low | 240 Ų | 240 | 153.4 Ų | 153.4 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | -86.2 | 80.6 | 172.3 | -162 | 176.6 | -165.1 | 179.3 | 4.3 | 108.3 | R2198 R2202 | R2198-R2200 VanDerWaalsContact C-N 3.31Å; R2198-R2200 PolarHBondContact O-N 3.49Å; R2200-R2202 PolarHBondContact O-N 2.68Å | ||
| 2201 | T | 19.3 | Very low | 19.6 | Very low | 111 Ų | 111 | 153.9 Ų | 153.9 | 68% | 0.681 | 80% | 0.796 | S | S | * | * | trans | -47.9 | 110.4 | 160.5 | 39.4 | 0 | 0 | 0 | 0 | 108.6 | T2199 T2203 | T2199-T2201 VanDerWaalsContact C-N 3.29Å; T2199-T2201 PolarHBondContact O-N 2.81Å; T2199-T2201 VanDerWaalsContact O-N 3.12Å; T2201-T2203 PolarHBondContact O-N 3.29Å; T2201-T2203 VanDerWaalsContact O-N 3.09Å | ||
| 2202 | R | 17.6 | Very low | 19.6 | Very low | 217 Ų | 217 | 151.5 Ų | 151.5 | 82% | 0.819 | 80% | 0.796 | S | S | * | * | trans | -82.9 | 79.3 | 164.9 | -163.9 | -177.7 | -170.2 | 172.6 | 2.5 | 107 | R2200 I2204 | R2200-R2202 PolarHBondContact O-N 2.68Å; R2202-I2204 HydrophobicContact CG-CG1 3.94Å; R2202-I2204 PolarHBondContact O-N 3.36Å | ||
| 2203 | T | 18.8 | Very low | 19.6 | Very low | 122 Ų | 122 | 151.3 Ų | 151.3 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -58.8 | 92.6 | 157.5 | 46.9 | 0 | 0 | 0 | 0 | 107.2 | T2201 | T2201-T2203 PolarHBondContact O-N 3.29Å; T2201-T2203 VanDerWaalsContact O-N 3.09Å | ||
| 2204 | I | 19.9 | Very low | 19.8 | Very low | 132 Ų | 132 | 150.3 Ų | 150.3 | 68% | 0.677 | 79% | 0.79 | S | S | * | * | trans | -70.1 | 136 | 161.3 | -63.7 | -175.4 | 0 | 0 | 0 | 105.9 | R2202 | R2202-I2204 HydrophobicContact CG-CG1 3.94Å; R2202-I2204 PolarHBondContact O-N 3.36Å | ||
| 2205 | H | 19.2 | Very low | 19.9 | Very low | 160 Ų | 160 | 144.3 Ų | 144.3 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | -63.9 | 144.4 | -170.3 | -137.1 | -85.6 | 0 | 0 | 0 | 111.7 | T2207 | H2205-T2207 PolarHBondContact O-N 1.99Å; H2205-T2207 VanDerWaalsContact O-N 3.09Å | ||
| 2206 | E | 18.5 | Very low | 20 | Very low | 184 Ų | 184 | 141.4 Ų | 141.4 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -64.5 | 107 | 153.2 | -68.6 | -178.8 | 118.3 | 0 | 0 | 108.4 | ||||
| 2207 | T | 21.6 | Very low | 20.2 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 69% | 0.693 | 78% | 0.777 | S | S | * | * | trans | -163.5 | 117.4 | 148.1 | 40.5 | 0 | 0 | 0 | 0 | 106.5 | H2205 | H2205-T2207 PolarHBondContact O-N 1.99Å; H2205-T2207 VanDerWaalsContact O-N 3.09Å | ||
| 2208 | S | 20.8 | Very low | 20.4 | Very low | 102 Ų | 102 | 138.4 Ų | 138.4 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | cis | 145.8 | 150 | -7.6 | 46.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 2209 | P | 27 | Very low | 20.7 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | cis | -133.1 | 171.6 | -25.9 | 39.3 | -23.1 | 0 | 0 | 0 | 114 | ||||
| 2210 | A | 18.8 | Very low | 20.7 | Very low | 98 Ų | 98 | 135.4 Ų | 135.4 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | -1.8 | 103.9 | 162.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 2211 | T | 21.9 | Very low | 21 | Very low | 132 Ų | 132 | 130.2 Ų | 130.2 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | trans | -148.2 | 120.5 | 137.2 | 35.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 2212 | V | 19.6 | Very low | 21.1 | Very low | 118 Ų | 118 | 133.8 Ų | 133.8 | 72% | 0.715 | 77% | 0.768 | S | S | * | * | 81.5 | 109.8 | 59.3 | 172.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 2213 | I | 20.2 | Very low | 21.3 | Very low | 153 Ų | 153 | 130.7 Ų | 130.7 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | 70.4 | 144.9 | 162.1 | -68.7 | 168 | 0 | 0 | 0 | 114.2 | ||||
| 2214 | N | 21.6 | Very low | 21.3 | Very low | 143 Ų | 143 | 129.4 Ų | 129.4 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | cis | -142.3 | 157.4 | 14.2 | -149.5 | -13.4 | 0 | 0 | 0 | 113.5 | ||||
| 2215 | A | 21.1 | Very low | 21.3 | Very low | 98 Ų | 98 | 129.6 Ų | 129.6 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | -145.6 | 82 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 2216 | G | 21.4 | Very low | 21.3 | Very low | 67 Ų | 67 | 130.8 Ų | 130.8 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | trans | -76.1 | 164.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 2217 | S | 22.7 | Very low | 21.4 | Very low | 110 Ų | 110 | 127.2 Ų | 127.2 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | cis | -152.3 | 161.7 | 11.8 | -153.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 2218 | V | 23 | Very low | 21.5 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 71% | 0.709 | 77% | 0.767 | S | S | * | * | cis | -154.6 | 131.2 | 48.7 | 169.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2219 | K | 24.4 | Very low | 21.5 | Very low | 178 Ų | 178 | 128.1 Ų | 128.1 | 77% | 0.774 | 77% | 0.774 | S | S | * | * | trans | 30.3 | 106.6 | 150 | -57.9 | 175.2 | -178.5 | 178.5 | 0 | 120.3 | ||||
| 2220 | T | 19.9 | Very low | 21.4 | Very low | 130 Ų | 130 | 132.2 Ų | 132.2 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | 17.3 | 112.7 | 118.3 | 56.5 | 0 | 0 | 0 | 0 | 119 | |||||
| 2221 | V | 22.9 | Very low | 21.5 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | -140 | 130.1 | 123.7 | 179.1 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 2222 | Q | 21.2 | Very low | 21.3 | Very low | 187 Ų | 187 | 134.9 Ų | 134.9 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -140.5 | 75 | 161.8 | -172.5 | 173.8 | -10.6 | 0 | 0 | 109.2 | ||||
| 2223 | D | 21.8 | Very low | 21.4 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | -101.6 | 99.7 | 164.4 | -89.4 | -55.2 | 0 | 0 | 0 | 108.9 | ||||
| 2224 | S | 19.2 | Very low | 21.3 | Very low | 95 Ų | 95 | 135.5 Ų | 135.5 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | trans | -76.5 | 138.7 | 167.2 | 55.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2225 | L | 20.3 | Very low | 21.2 | Very low | 136 Ų | 136 | 135.8 Ų | 135.8 | 71% | 0.712 | 77% | 0.773 | S | S | * | * | trans | -171.4 | 119.4 | 155.8 | -101.7 | 151.2 | 0 | 0 | 0 | 112.8 | ||||
| 2226 | K | 19.9 | Very low | 21.2 | Very low | 184 Ų | 184 | 138.7 Ų | 138.7 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | 64.2 | 166 | 148 | -74.2 | 167.8 | -171.2 | 163.9 | 0 | 119.5 | ||||
| 2227 | S | 20.3 | Very low | 21.1 | Very low | 109 Ų | 109 | 144.3 Ų | 144.3 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | cis | -180 | 142.3 | -39.9 | 56.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 2228 | G | 22.6 | Very low | 21 | Very low | 75 Ų | 75 | 144.7 Ų | 144.7 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | trans | 132.2 | 123.9 | 155 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 2229 | D | 21.2 | Very low | 20.9 | Very low | 159 Ų | 159 | 144.6 Ų | 144.6 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | -69.1 | 152.4 | 169.7 | -48.4 | -92.8 | 0 | 0 | 0 | 112.5 | ||||
| 2230 | K | 24.9 | Very low | 20.6 | Very low | 205 Ų | 205 | 141.7 Ų | 141.7 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | trans | -166.1 | 124.6 | 133.7 | -106.8 | 152.2 | -172.5 | 176.3 | 0 | 112.7 | ||||
| 2231 | Q | 20.6 | Very low | 20.8 | Very low | 183 Ų | 183 | 144 Ų | 144 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | -75.8 | 158.7 | 156.3 | -61.7 | 170.5 | -18.3 | 0 | 0 | 109.4 | ||||
| 2232 | C | 18.5 | Very low | 20.6 | Very low | 103 Ų | 103 | 146.6 Ų | 146.6 | 70% | 0.696 | 79% | 0.793 | S | S | * | * | trans | 167.6 | 132 | 131.4 | -95.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 2233 | H | 20.8 | Very low | 20.6 | Very low | 151 Ų | 151 | 145 Ų | 145 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | trans | 55 | 147.4 | 142 | -58.5 | -56.7 | 0 | 0 | 0 | 120.9 | ||||
| 2234 | D | 20 | Very low | 20.6 | Very low | 133 Ų | 133 | 143 Ų | 143 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | cis | -158.4 | 172.4 | -10.4 | -112.4 | -11.4 | 0 | 0 | 0 | 110.5 | ||||
| 2235 | L | 19.6 | Very low | 20.8 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | trans | -59.8 | 144.2 | 171 | -69.2 | 65.3 | 0 | 0 | 0 | 111.5 | ||||
| 2236 | N | 20.3 | Very low | 20.9 | Very low | 158 Ų | 158 | 142.7 Ų | 142.7 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | -165.1 | 162.9 | 123 | -108 | -55.1 | 0 | 0 | 0 | 116.2 | |||||
| 2237 | K | 19.1 | Very low | 21 | Very low | 185 Ų | 185 | 143.6 Ų | 143.6 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -82.7 | 145.3 | -171.1 | -55 | 151.3 | 179 | 170 | 0 | 113 | ||||
| 2238 | C | 21.1 | Very low | 21.3 | Very low | 119 Ų | 119 | 144.4 Ų | 144.4 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -166.6 | 100.1 | 141.1 | -104.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 2239 | T | 20.1 | Very low | 21.6 | Very low | 115 Ų | 115 | 148.8 Ų | 148.8 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | 57 | 96.5 | 93.1 | 61.2 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 2240 | S | 18.1 | Very low | 21.9 | Very low | 117 Ų | 117 | 149 Ų | 149 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | 48.3 | 105.8 | 143.4 | 58.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 2241 | L | 23.7 | Very low | 21.8 | Very low | 177 Ų | 177 | 145.1 Ų | 145.1 | 93% | 0.927 | 79% | 0.793 | S | S | * | * | trans | -133.6 | 154.2 | 150.4 | -102 | 165.2 | 0 | 0 | 0 | 109 | ||||
| 2242 | E | 19 | Very low | 22.3 | Very low | 187 Ų | 187 | 141.6 Ų | 141.6 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | -88.4 | 153.8 | -163 | -63 | 177.2 | 123.5 | 0 | 0 | 113.8 | S2244 | E2242-S2244 PolarHBondContact O-N 3.21Š| ||
| 2243 | V | 22 | Very low | 22.8 | Very low | 152 Ų | 152 | 143.8 Ų | 143.8 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | trans | -89.7 | 102.2 | 176.6 | 179.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 2244 | S | 20.5 | Very low | 23.1 | Very low | 110 Ų | 110 | 144.7 Ų | 144.7 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -104.4 | 116.2 | 164 | 59.1 | 0 | 0 | 0 | 0 | 109.6 | E2242 | E2242-S2244 PolarHBondContact O-N 3.21Š| ||
| 2245 | G | 23.4 | Very low | 23.5 | Very low | 67 Ų | 67 | 144.4 Ų | 144.4 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | trans | -79.8 | 155.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 2246 | N | 24.2 | Very low | 24 | Very low | 159 Ų | 159 | 145.5 Ų | 145.5 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | trans | -127.5 | 87.1 | 168.8 | -84 | -24 | 0 | 0 | 0 | 109.4 | V2248 | N2246-V2248 VanDerWaalsContact C-N 3.29Å; N2246-V2248 PolarHBondContact O-N 2.84Å; N2246-V2248 VanDerWaalsContact O-N 3.16Å | ||
| 2247 | E | 21.8 | Very low | 24.3 | Very low | 203 Ų | 203 | 147.5 Ų | 147.5 | 95% | 0.949 | 77% | 0.772 | S | S | * | * | trans | -84.9 | 69.3 | 170.1 | -69.4 | -172.9 | 144.6 | 0 | 0 | 110.5 | ||||
| 2248 | V | 25.6 | Very low | 24.7 | Very low | 126 Ų | 126 | 145.1 Ų | 145.1 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | trans | -139.6 | 82.5 | 178.9 | -171.3 | 0 | 0 | 0 | 0 | 110.6 | N2246 | N2246-V2248 VanDerWaalsContact C-N 3.29Å; N2246-V2248 PolarHBondContact O-N 2.84Å; N2246-V2248 VanDerWaalsContact O-N 3.16Å | ||
| 2249 | E | 28.2 | Very low | 24.9 | Very low | 167 Ų | 167 | 148.7 Ų | 148.7 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -163.2 | -31.9 | 159.4 | -121.1 | 165.9 | -157.2 | 0 | 0 | 113.9 | Q2251 E2252 | E2249-Q2251 PolarHBondContact O-N 3.4Å; E2249-E2252 PolarHBondContact O-N 2.88Å |
| 2250 | I | 27.5 | Very low | 25.1 | Very low | 163 Ų | 163 | 150.9 Ų | 150.9 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -69.2 | -30.2 | -173.7 | -62.7 | 178.4 | 0 | 0 | 0 | 113.6 | ||
| 2251 | Q | 24 | Very low | 25.7 | Very low | 124 Ų | 124 | 153.6 Ų | 153.6 | 58% | 0.579 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -74.1 | -27.1 | -178.4 | -167.4 | 66.5 | 10.1 | 0 | 0 | 113.4 | E2249 I2253 F2254 E2255 | E2249-Q2251 PolarHBondContact O-N 3.4Å; Q2251-I2253 PolarHBondContact O-N 2.85Å; Q2251-F2254 PolarHBondContact O-N 3.11Å; Q2251-F2254 VanDerWaalsContact O-N 3.16Å; Q2251-E2255 PolarHBondContact NE2-OE1 2.7Å |
| 2252 | E | 30.4 | Very low | 25.7 | Very low | 109 Ų | 109 | 155 Ų | 155 | 51% | 0.509 | 78% | 0.782 | S | S | . | * | G | 310 helix | trans | -74.8 | -11 | -165.8 | -137.4 | -158.5 | 175.6 | 0 | 0 | 114.4 | E2249 R2256 | E2249-E2252 PolarHBondContact O-N 2.88Å; E2252-R2256 VanDerWaalsContact CD-CZ 3.48Å; E2252-R2256 IonicContact OE1-CZ 3.15Å; E2252-R2256 IonicContact OE1-NH1 2.76Å; E2252-R2256 PolarHBondContact OE1-NH1 3.29Å; E2252-R2256 VanDerWaalsContact OE1-NH1 3.12Å; E2252-R2256 IonicContact OE1-NH2 2.69Å; E2252-R2256 PolarHBondContact OE1-NH2 3.42Å; E2252-R2256 IonicContact OE2-CZ 3.48Å; E2252-R2256 IonicContact OE2-NH1 2.69Å; E2252-R2256 PolarHBondContact OE2-NH1 2.9Å; E2252-R2256 IonicContact OE2-NH2 3.33Å |
| 2253 | I | 30.2 | Very low | 26 | Very low | 149 Ų | 149 | 149.5 Ų | 149.5 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -84.8 | -28.5 | 174.8 | -62.8 | 179.2 | 0 | 0 | 0 | 111.4 | Q2251 | Q2251-I2253 PolarHBondContact O-N 2.85Š|
| 2254 | F | 27.4 | Very low | 26.2 | Very low | 169 Ų | 169 | 150.4 Ų | 150.4 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -32.1 | -170.1 | -126.4 | -83.1 | 0 | 0 | 0 | 114.4 | Q2251 | Q2251-F2254 PolarHBondContact O-N 3.11Å; Q2251-F2254 VanDerWaalsContact O-N 3.16Å |
| 2255 | E | 27.7 | Very low | 26.3 | Very low | 127 Ų | 127 | 153.3 Ų | 153.3 | 59% | 0.593 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -87.9 | -15.6 | -178 | -68.6 | -172.9 | -157.9 | 0 | 0 | 114.1 | Q2251 K2257 I2258 | Q2251-E2255 PolarHBondContact NE2-OE1 2.7Å; E2255-K2257 PolarHBondContact O-N 2.98Å; E2255-I2258 PolarHBondContact O-N 3.31Å |
| 2256 | R | 29 | Very low | 26.3 | Very low | 172 Ų | 172 | 157.3 Ų | 157.3 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 18.2 | -174.2 | -113.3 | -176.2 | -167.9 | 127.9 | 5.7 | 116.3 | E2252 | E2252-R2256 VanDerWaalsContact CD-CZ 3.48Å; E2252-R2256 IonicContact OE1-CZ 3.15Å; E2252-R2256 IonicContact OE1-NH1 2.76Å; E2252-R2256 PolarHBondContact OE1-NH1 3.29Å; E2252-R2256 VanDerWaalsContact OE1-NH1 3.12Å; E2252-R2256 IonicContact OE1-NH2 2.69Å; E2252-R2256 PolarHBondContact OE1-NH2 3.42Å; E2252-R2256 IonicContact OE2-CZ 3.48Å; E2252-R2256 IonicContact OE2-NH1 2.69Å; E2252-R2256 PolarHBondContact OE2-NH1 2.9Å; E2252-R2256 IonicContact OE2-NH2 3.33Å |
| 2257 | K | 28.5 | Very low | 26.5 | Very low | 201 Ų | 201 | 156.9 Ų | 156.9 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.5 | 6.9 | -178.5 | -85.6 | -167.8 | 172.4 | -175.8 | 0 | 116 | E2255 | E2255-K2257 PolarHBondContact O-N 2.98Š|
| 2258 | I | 27.5 | Very low | 26.8 | Very low | 135 Ų | 135 | 152.8 Ų | 152.8 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -114.7 | -11.6 | -171.3 | -68.4 | 178.4 | 0 | 0 | 0 | 114.2 | E2255 | E2255-I2258 PolarHBondContact O-N 3.31Š|
| 2259 | F | 24.8 | Very low | 26.8 | Very low | 193 Ų | 193 | 153.3 Ų | 153.3 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -108.2 | 4.4 | -170.4 | -106.7 | -72.4 | 0 | 0 | 0 | 118.1 | ||
| 2260 | D | 24.3 | Very low | 26.7 | Very low | 162 Ų | 162 | 151.9 Ų | 151.9 | 87% | 0.866 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -102.7 | 80.4 | 170.4 | -74.8 | -44.5 | 0 | 0 | 0 | 110.7 | ||
| 2261 | L | 29.7 | Very low | 26.7 | Very low | 173 Ų | 173 | 150.4 Ų | 150.4 | 91% | 0.906 | 75% | 0.75 | S | S | * | * | trans | -174.4 | 27.9 | 158.9 | -106.9 | 163.3 | 0 | 0 | 0 | 117.9 | ||||
| 2262 | E | 24.3 | Very low | 26.9 | Very low | 206 Ų | 206 | 151.4 Ų | 151.4 | 96% | 0.963 | 76% | 0.759 | S | S | * | * | trans | -123.6 | 101.5 | 164.5 | -79.9 | -165 | 156.7 | 0 | 0 | 111.1 | ||||
| 2263 | G | 24.8 | Very low | 26.6 | Very low | 72 Ų | 72 | 153.3 Ų | 153.3 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | trans | 154.5 | 65.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 2264 | N | 26.2 | Very low | 26.3 | Very low | 171 Ų | 171 | 149.7 Ų | 149.7 | 91% | 0.914 | 77% | 0.773 | S | S | * | * | trans | -149.6 | 114.7 | 157.1 | -96.2 | -37.6 | 0 | 0 | 0 | 109.6 | ||||
| 2265 | E | 22.8 | Very low | 26.2 | Very low | 172 Ų | 172 | 152 Ų | 152 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -88.2 | -172.1 | 167.5 | -63 | -176.3 | 136.2 | 0 | 0 | 110.2 | ||||
| 2266 | I | 24.1 | Very low | 26.1 | Very low | 151 Ų | 151 | 150.8 Ų | 150.8 | 77% | 0.774 | 79% | 0.788 | S | S | * | * | trans | 101.2 | 127 | 156.3 | -56.8 | 170.6 | 0 | 0 | 0 | 117.8 | ||||
| 2267 | M | 27.4 | Very low | 26 | Very low | 149 Ų | 149 | 150 Ų | 150 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | 84.5 | 110.8 | 157.6 | -79.8 | 166.3 | 77.6 | 0 | 0 | 122.6 | ||||
| 2268 | N | 28.6 | Very low | 25.8 | Very low | 117 Ų | 117 | 148.6 Ų | 148.6 | 63% | 0.626 | 80% | 0.799 | S | S | * | * | 78.2 | 103.4 | 125.8 | -62.3 | 14 | 0 | 0 | 0 | 121.4 | |||||
| 2269 | D | 25.5 | Very low | 25.9 | Very low | 137 Ų | 137 | 148.8 Ų | 148.8 | 73% | 0.733 | 81% | 0.806 | S | S | * | * | 53.7 | 121.6 | 110.2 | -58.9 | -0.5 | 0 | 0 | 0 | 121.4 | |||||
| 2270 | N | 26.5 | Very low | 25.9 | Very low | 137 Ų | 137 | 146.2 Ų | 146.2 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | trans | 95 | 131.4 | 141.2 | -66.2 | 5.4 | 0 | 0 | 0 | 121.5 | ||||
| 2271 | D | 27.9 | Very low | 26 | Very low | 133 Ų | 133 | 145.8 Ų | 145.8 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | 71.9 | 108.1 | 145.3 | -49.3 | -14.7 | 0 | 0 | 0 | 121.6 | ||||
| 2272 | D | 26.7 | Very low | 25.9 | Very low | 144 Ų | 144 | 145.8 Ų | 145.8 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | 67.5 | 134.2 | 131.9 | -58.5 | -12.5 | 0 | 0 | 0 | 124.5 | ||||
| 2273 | D | 25.5 | Very low | 26.2 | Very low | 150 Ų | 150 | 141.4 Ų | 141.4 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | 55.5 | 82.7 | 142.3 | -65.6 | -10.5 | 0 | 0 | 0 | 121.5 | ||||
| 2274 | G | 23.7 | Very low | 26.4 | Very low | 73 Ų | 73 | 144.9 Ų | 144.9 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | 73.3 | 99.2 | 104.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 2275 | F | 24.6 | Very low | 26.7 | Very low | 218 Ų | 218 | 141.2 Ų | 141.2 | 96% | 0.956 | 76% | 0.759 | S | S | * | * | trans | -133.8 | 146 | 153.5 | -82.5 | -86.3 | 0 | 0 | 0 | 110.3 | ||||
| 2276 | S | 25 | Very low | 27.2 | Very low | 101 Ų | 101 | 138.1 Ų | 138.1 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | -136.8 | 132 | -175.2 | 59 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 2277 | D | 26.9 | Very low | 27.5 | Very low | 155 Ų | 155 | 137.8 Ų | 137.8 | 83% | 0.829 | 75% | 0.746 | S | S | * | * | trans | 56.9 | 81.8 | 149.5 | -51.3 | -19.6 | 0 | 0 | 0 | 119 | ||||
| 2278 | D | 25.5 | Very low | 28 | Very low | 172 Ų | 172 | 134 Ų | 134 | 92% | 0.92 | 73% | 0.731 | S | S | * | * | trans | -109.5 | 86.8 | 152.6 | -91.7 | -42.5 | 0 | 0 | 0 | 109.2 | ||||
| 2279 | V | 28.6 | Very low | 28.6 | Very low | 139 Ų | 139 | 134.1 Ų | 134.1 | 84% | 0.842 | 73% | 0.728 | S | S | * | * | trans | -142.2 | 103.9 | 164.3 | -174 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 2280 | E | 24.6 | Very low | 29.6 | Very low | 138 Ų | 138 | 130.5 Ų | 130.5 | 65% | 0.645 | 71% | 0.708 | S | S | * | * | trans | -134.4 | 129.9 | 162.4 | -65.1 | -177.6 | 123.4 | 0 | 0 | 108.1 | R172 | R172-E2280 IonicContact CZ-OE1 3.12Å; R172-E2280 IonicContact CZ-OE2 3.99Å; R172-E2280 IonicContact NH1-OE1 3.89Å; R172-E2280 PolarHBondContact NH1-OE1 2.85Å; R172-E2280 IonicContact NH1-OE2 3.18Å; R172-E2280 PolarHBondContact NH1-OE2 2.99Å; R172-E2280 IonicContact NH2-OE1 3.13Å; R172-E2280 PolarHBondContact NH2-OE1 2.95Å; R172-E2280 IonicContact NH2-OE2 2.65Å; R172-E2280 PolarHBondContact NH2-OE2 3.37Å | ||
| 2281 | D | 28.1 | Very low | 30.7 | Very low | 153 Ų | 153 | 129.7 Ų | 129.7 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | trans | 145.3 | 71.8 | 154.5 | -78.3 | -13.8 | 0 | 0 | 0 | 111.7 | R172 | R172-D2281 IonicContact NH2-OD1 2.77Š| ||
| 2282 | E | 27.6 | Very low | 32.2 | Very low | 174 Ų | 174 | 129.4 Ų | 129.4 | 81% | 0.813 | 69% | 0.694 | S | S | * | * | trans | -153.8 | 92.6 | 170.5 | -129.8 | 174.8 | -125.5 | 0 | 0 | 109.7 | ||||
| 2283 | V | 28.9 | Very low | 34.2 | Very low | 114 Ų | 114 | 123.8 Ų | 123.8 | 69% | 0.691 | 67% | 0.667 | S | S | * | * | trans | -144.7 | -30.7 | -177.1 | -174.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 2284 | D | 30 | Very low | 36.4 | Very low | 145 Ų | 145 | 117.3 Ų | 117.3 | 78% | 0.775 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -76.2 | -23.4 | -176 | -79.8 | -40.7 | 0 | 0 | 0 | 113.4 | I2286 | D2284-I2286 PolarHBondContact O-N 2.94Š|
| 2285 | D | 33.4 | Very low | 39 | Very low | 94 Ų | 94 | 115.6 Ų | 115.6 | 50% | 0.503 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.1 | -29.2 | -174.9 | -56.3 | -74.1 | 0 | 0 | 0 | 114.1 | L2287 V2288 E2289 | D2285-L2287 PolarHBondContact O-N 3.32Å; D2285-L2287 VanDerWaalsContact O-N 3.14Å; D2285-V2288 CarbonylContact O-C 3.59Å; D2285-V2288 WeakPolarHBondContact O-CA 3.35Å; D2285-V2288 WeakPolarHBondContact O-CB 3.23Å; D2285-V2288 PolarHBondContact O-N 2.75Å; D2285-E2289 PolarHBondContact O-N 3.16Å |
| 2286 | I | 31.5 | Very low | 41.7 | Very low | 107 Ų | 107 | 108.2 Ų | 108.2 | 55% | 0.549 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.3 | -26.8 | -172.8 | -57.3 | 176.2 | 0 | 0 | 0 | 112.4 | D2284 N2290 | D2284-I2286 PolarHBondContact O-N 2.94Å; I2286-N2290 PolarHBondContact O-ND2 3.42Å |
| 2287 | L | 31.4 | Very low | 44.4 | Very low | 144 Ų | 144 | 103.4 Ų | 103.4 | 75% | 0.754 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -80.5 | -37.3 | 172.9 | -90 | 167.7 | 0 | 0 | 0 | 112.2 | D2285 N2290 E2291 | D2285-L2287 PolarHBondContact O-N 3.32Å; D2285-L2287 VanDerWaalsContact O-N 3.14Å; L2287-N2290 PolarHBondContact O-N 2.83Å; L2287-E2291 PolarHBondContact O-N 2.87Å |
| 2288 | V | 37.6 | Very low | 47.4 | Very low | 70 Ų | 70 | 96 Ų | 96 | 42% | 0.424 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.1 | -48.7 | 174.8 | 178.7 | 0 | 0 | 0 | 0 | 109.8 | D2285 N2290 E2291 E2292 | D2285-V2288 CarbonylContact O-C 3.59Å; D2285-V2288 WeakPolarHBondContact O-CA 3.35Å; D2285-V2288 WeakPolarHBondContact O-CB 3.23Å; D2285-V2288 PolarHBondContact O-N 2.75Å; V2288-N2290 PolarHBondContact O-N 3.04Å; V2288-E2291 PolarHBondContact O-N 2.86Å; V2288-E2291 VanDerWaalsContact O-N 3.08Å; V2288-E2292 VanDerWaalsContact CG1-CD 3.48Å; V2288-E2292 HydrophobicContact CG1-CG 3.86Å; V2288-E2292 WeakPolarHBondContact CG1-OE1 3.31Å; V2288-E2292 WeakPolarHBondContact O-CB 3.44Å; V2288-E2292 WeakPolarHBondContact O-CG 3.36Å; V2288-E2292 PolarHBondContact O-N 3.07Å |
| 2289 | E | 41.6 | Very low | 50.2 | Low | 119 Ų | 119 | 89.8 Ų | 89.8 | 56% | 0.556 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -51.4 | -31.5 | 174.1 | -81 | -158.9 | 136.1 | 0 | 0 | 113.5 | D2285 S2293 | D2285-E2289 PolarHBondContact O-N 3.16Å; E2289-S2293 WeakPolarHBondContact O-CA 3.49Å; E2289-S2293 WeakPolarHBondContact O-CB 3.45Å; E2289-S2293 PolarHBondContact O-N 2.99Å; E2289-S2293 PolarHBondContact O-OG 3.01Å |
| 2290 | N | 45.8 | Very low | 53 | Low | 61 Ų | 61 | 85 Ų | 85 | 33% | 0.326 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -79.8 | -31 | -178.2 | -85.9 | -84.7 | 0 | 0 | 0 | 113.4 | R2138 I2286 L2287 V2288 A2294 | R2138-N2290 PolarHBondContact NH2-OD1 3.42Å; I2286-N2290 PolarHBondContact O-ND2 3.42Å; L2287-N2290 PolarHBondContact O-N 2.83Å; V2288-N2290 PolarHBondContact O-N 3.04Å; N2290-A2294 WeakPolarHBondContact O-CB 3.42Å |
| 2291 | E | 50.9 | Low | 56 | Low | 119 Ų | 119 | 78.4 Ų | 78.4 | 56% | 0.556 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -82.5 | -43 | 171.3 | -65 | -168.3 | 161.2 | 0 | 0 | 110.1 | L2287 V2288 A2294 V2295 | L2287-E2291 PolarHBondContact O-N 2.87Å; V2288-E2291 PolarHBondContact O-N 2.86Å; V2288-E2291 VanDerWaalsContact O-N 3.08Å; E2291-A2294 WeakPolarHBondContact O-CB 3.45Å; E2291-A2294 PolarHBondContact O-N 2.96Å; E2291-A2294 VanDerWaalsContact O-N 3.16Å; E2291-V2295 WeakPolarHBondContact O-CG2 3.48Å; E2291-V2295 PolarHBondContact O-N 3.18Å |
| 2292 | E | 59 | Low | 58.9 | Low | 127 Ų | 127 | 71.1 Ų | 71.1 | 59% | 0.593 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.6 | -44.7 | 175.3 | -71.4 | -170.8 | 172 | 0 | 0 | 113 | V2288 A2294 V2295 H2296 | V2288-E2292 VanDerWaalsContact CG1-CD 3.48Å; V2288-E2292 HydrophobicContact CG1-CG 3.86Å; V2288-E2292 WeakPolarHBondContact CG1-OE1 3.31Å; V2288-E2292 WeakPolarHBondContact O-CB 3.44Å; V2288-E2292 WeakPolarHBondContact O-CG 3.36Å; V2288-E2292 PolarHBondContact O-N 3.07Å; E2292-A2294 VanDerWaalsContact C-N 3.26Å; E2292-A2294 PolarHBondContact O-N 3.05Å; E2292-V2295 PolarHBondContact O-N 2.84Å; E2292-H2296 WeakPolarHBondContact O-CB 3.34Å; E2292-H2296 PolarHBondContact O-N 3.27Å |
| 2293 | S | 67.4 | Low | 61.7 | Low | 27 Ų | 27 | 65.4 Ų | 65.4 | 19% | 0.189 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.9 | -29.1 | 175.8 | 61.2 | 0 | 0 | 0 | 0 | 112.6 | E2289 A2297 | E2289-S2293 WeakPolarHBondContact O-CA 3.49Å; E2289-S2293 WeakPolarHBondContact O-CB 3.45Å; E2289-S2293 PolarHBondContact O-N 2.99Å; E2289-S2293 PolarHBondContact O-OG 3.01Å; S2293-A2297 WeakPolarHBondContact O-CB 3.38Å; S2293-A2297 PolarHBondContact O-N 2.99Å |
| 2294 | A | 73.3 | Confident | 64.6 | Low | 13 Ų | 13 | 60.4 Ų | 60.4 | 11% | 0.107 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.8 | -44.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | M2176 N2290 E2291 E2292 W2298 | M2176-A2294 HydrophobicContact CE-CB 3.95Å; M2176-A2294 WeakPolarHBondContact CE-O 3.3Å; N2290-A2294 WeakPolarHBondContact O-CB 3.42Å; E2291-A2294 WeakPolarHBondContact O-CB 3.45Å; E2291-A2294 PolarHBondContact O-N 2.96Å; E2291-A2294 VanDerWaalsContact O-N 3.16Å; E2292-A2294 VanDerWaalsContact C-N 3.26Å; E2292-A2294 PolarHBondContact O-N 3.05Å; A2294-W2298 WeakPolarHBondContact O-CB 3.13Å; A2294-W2298 PolarHBondContact O-N 3.41Å |
| 2295 | V | 77.6 | Confident | 67.4 | Low | 37 Ų | 37 | 53.5 Ų | 53.5 | 22% | 0.224 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.2 | -41.2 | 175.4 | 176.9 | 0 | 0 | 0 | 0 | 111 | E2291 E2292 W2298 L2299 V2338 | E2291-V2295 WeakPolarHBondContact O-CG2 3.48Å; E2291-V2295 PolarHBondContact O-N 3.18Å; E2292-V2295 PolarHBondContact O-N 2.84Å; V2295-W2298 WeakPolarHBondContact O-CB 3.24Å; V2295-W2298 PolarHBondContact O-N 3.4Å; V2295-L2299 PolarHBondContact O-N 3.43Å; V2295-V2338 HydrophobicContact CB-CG2 4.42Å; V2295-V2338 HydrophobicContact CG1-CG1 4.19Å; V2295-V2338 HydrophobicContact CG1-CG2 4.01Å; V2295-V2338 HydrophobicContact CG2-CG2 3.66Å |
| 2296 | H | 80.2 | Confident | 70 | Confident | 63 Ų | 63 | 49 Ų | 49 | 29% | 0.292 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68.7 | -39.3 | 178 | -164.1 | 68 | 0 | 0 | 0 | 112.5 | R2139 E2292 W2298 L2299 I2300 | R2139-H2296 PolarHBondContact NH2-NE2 3.39Å; E2292-H2296 WeakPolarHBondContact O-CB 3.34Å; E2292-H2296 PolarHBondContact O-N 3.27Å; H2296-W2298 VanDerWaalsContact C-N 3.34Å; H2296-L2299 PolarHBondContact O-N 2.87Å; H2296-I2300 WeakPolarHBondContact O-CG1 3.29Å; H2296-I2300 PolarHBondContact O-N 3.22Å |
| 2297 | A | 83.7 | Confident | 72.6 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.5 | -39.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L2137 L2142 M2176 S2293 L2301 | L2137-A2297 HydrophobicContact CD2-CB 4.38Å; L2142-A2297 HydrophobicContact CD1-CB 4.11Å; L2142-A2297 HydrophobicContact CD2-CB 3.83Å; M2176-A2297 HydrophobicContact SD-CB 4.38Å; S2293-A2297 WeakPolarHBondContact O-CB 3.38Å; S2293-A2297 PolarHBondContact O-N 2.99Å; A2297-L2301 VanDerWaalsContact O-CB 3.28Å; A2297-L2301 WeakPolarHBondContact O-CB 3.49Å; A2297-L2301 WeakPolarHBondContact O-CD1 3.31Å; A2297-L2301 WeakPolarHBondContact O-CG 3.23Å; A2297-L2301 PolarHBondContact O-N 2.98Å |
| 2298 | W | 87.9 | Confident | 75.2 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.3 | -48.3 | 171.8 | -179.1 | 94.4 | 0 | 0 | 0 | 111.1 | A2294 V2295 H2296 I2300 L2301 V2302 L2328 F2331 A2332 V2338 I2348 | A2294-W2298 WeakPolarHBondContact O-CB 3.13Å; A2294-W2298 PolarHBondContact O-N 3.41Å; V2295-W2298 WeakPolarHBondContact O-CB 3.24Å; V2295-W2298 PolarHBondContact O-N 3.4Å; H2296-W2298 VanDerWaalsContact C-N 3.34Å; W2298-I2300 PolarHBondContact O-N 2.96Å; W2298-L2301 PolarHBondContact O-N 3.39Å; W2298-V2302 HydrophobicContact CD2-CG2 3.78Å; W2298-V2302 HydrophobicContact CE3-CG2 4.16Å; W2298-V2302 HydrophobicContact CG-CG2 4.3Å; W2298-V2302 HydrophobicContact CH2-CG2 4.16Å; W2298-V2302 HydrophobicContact CZ2-CG2 3.79Å; W2298-V2302 HydrophobicContact CZ3-CG2 4.32Å; W2298-V2302 VanDerWaalsContact O-CG2 3.32Å; W2298-V2302 WeakPolarHBondContact O-CG2 3.3Å; W2298-V2302 PolarHBondContact O-N 3.44Å; W2298-L2328 HydrophobicContact CG-CD2 4.43Å; W2298-L2328 PolarHBondContact NE1-O 3.49Å; W2298-F2331 HydrophobicContact CB-CD1 4.39Å; W2298-F2331 HydrophobicContact CB-CE1 4.09Å; W2298-F2331 AromaticContact CD1-CD1 3.27Å; W2298-F2331 AromaticContact CD1-CE1 3.84Å; W2298-F2331 AromaticContact CG-CD1 3.97Å; W2298-F2331 HydrophobicContact CG-CD1 3.97Å; W2298-F2331 HydrophobicContact CG-CE1 4.1Å; W2298-F2331 AromaticContact NE1-CD1 3.8Å; W2298-A2332 HydrophobicContact CZ2-CB 3.86Å; W2298-V2338 HydrophobicContact CD2-CG1 3.91Å; W2298-V2338 HydrophobicContact CE3-CG1 3.43Å; W2298-V2338 VanDerWaalsContact CE3-CG1 3.43Å; W2298-V2338 HydrophobicContact CH2-CG1 3.9Å; W2298-V2338 HydrophobicContact CZ2-CG1 4.32Å; W2298-V2338 HydrophobicContact CZ3-CG1 3.44Å; W2298-V2338 VanDerWaalsContact CZ3-CG1 3.44Å; W2298-I2348 HydrophobicContact CH2-CD1 4.29Å; W2298-I2348 HydrophobicContact CH2-CG1 4Å |
| 2299 | L | 85.8 | Confident | 77.4 | Confident | 40 Ų | 40 | 35 Ų | 35 | 21% | 0.209 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57 | -49.8 | 179.4 | -171.4 | 73.3 | 0 | 0 | 0 | 112 | V2295 H2296 V2302 Q2303 N2344 V2347 | V2295-L2299 PolarHBondContact O-N 3.43Å; H2296-L2299 PolarHBondContact O-N 2.87Å; L2299-V2302 PolarHBondContact O-N 2.94Å; L2299-Q2303 WeakPolarHBondContact O-CB 3.45Å; L2299-Q2303 PolarHBondContact O-N 3.07Å; L2299-N2344 HydrophobicContact CD1-CB 4.24Å; L2299-N2344 WeakPolarHBondContact CD1-OD1 3.48Å; L2299-V2347 HydrophobicContact CD1-CB 4.05Å; L2299-V2347 HydrophobicContact CD1-CG1 4.14Å; L2299-V2347 HydrophobicContact CD1-CG2 3.82Å |
| 2300 | I | 86.4 | Confident | 79.4 | Confident | 38 Ų | 38 | 31.2 Ų | 31.2 | 20% | 0.195 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.3 | -41.9 | 179.1 | -59 | 162.1 | 0 | 0 | 0 | 110.8 | L2142 T2146 H2296 W2298 Q2303 L2304 | L2142-I2300 HydrophobicContact CD2-CD1 4.05Å; L2142-I2300 HydrophobicContact CG-CD1 4.26Å; T2146-I2300 HydrophobicContact CG2-CB 4.43Å; T2146-I2300 HydrophobicContact CG2-CG2 3.5Å; H2296-I2300 WeakPolarHBondContact O-CG1 3.29Å; H2296-I2300 PolarHBondContact O-N 3.22Å; W2298-I2300 PolarHBondContact O-N 2.96Å; I2300-Q2303 PolarHBondContact O-N 3.33Å; I2300-L2304 WeakPolarHBondContact O-CB 3.44Å; I2300-L2304 PolarHBondContact O-N 2.88Å |
| 2301 | L | 87.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.1 | -36.5 | 179.4 | -71.2 | 171.5 | 0 | 0 | 0 | 112.6 | L2137 I2169 L2172 A2297 W2298 T2305 L2328 | L2137-L2301 HydrophobicContact CD2-CD1 4.46Å; I2169-L2301 HydrophobicContact CG1-CD2 4.5Å; I2169-L2301 HydrophobicContact CG2-CD2 4.39Å; L2172-L2301 HydrophobicContact CB-CD1 3.98Å; L2172-L2301 HydrophobicContact CB-CD2 4.35Å; L2172-L2301 HydrophobicContact CD1-CD2 4.09Å; A2297-L2301 VanDerWaalsContact O-CB 3.28Å; A2297-L2301 WeakPolarHBondContact O-CB 3.49Å; A2297-L2301 WeakPolarHBondContact O-CD1 3.31Å; A2297-L2301 WeakPolarHBondContact O-CG 3.23Å; A2297-L2301 PolarHBondContact O-N 2.98Å; W2298-L2301 PolarHBondContact O-N 3.39Å; L2301-T2305 WeakPolarHBondContact O-CB 3.44Å; L2301-T2305 WeakPolarHBondContact O-CG2 3.38Å; L2301-T2305 PolarHBondContact O-N 3.37Å; L2301-T2305 PolarHBondContact O-OG1 3.14Å; L2301-L2328 HydrophobicContact CB-CD1 4.14Å; L2301-L2328 HydrophobicContact CB-CD2 4.2Å |
| 2302 | V | 88.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.7 | -44.5 | 172.5 | 177.5 | 0 | 0 | 0 | 0 | 110.4 | W2298 L2299 L2304 T2305 A2306 L2328 V2347 M2351 | W2298-V2302 HydrophobicContact CD2-CG2 3.78Å; W2298-V2302 HydrophobicContact CE3-CG2 4.16Å; W2298-V2302 HydrophobicContact CG-CG2 4.3Å; W2298-V2302 HydrophobicContact CH2-CG2 4.16Å; W2298-V2302 HydrophobicContact CZ2-CG2 3.79Å; W2298-V2302 HydrophobicContact CZ3-CG2 4.32Å; W2298-V2302 VanDerWaalsContact O-CG2 3.32Å; W2298-V2302 WeakPolarHBondContact O-CG2 3.3Å; W2298-V2302 PolarHBondContact O-N 3.44Å; L2299-V2302 PolarHBondContact O-N 2.94Å; V2302-L2304 PolarHBondContact O-N 2.84Å; V2302-T2305 WeakPolarHBondContact CA-OG1 3.47Å; V2302-T2305 PolarHBondContact O-N 3.1Å; V2302-T2305 PolarHBondContact O-OG1 3.16Å; V2302-T2305 VanDerWaalsContact O-OG1 3.07Å; V2302-A2306 VanDerWaalsContact O-CB 3.27Å; V2302-A2306 WeakPolarHBondContact O-CB 3.12Å; V2302-A2306 PolarHBondContact O-N 3.14Å; V2302-L2328 HydrophobicContact CG2-CB 4.03Å; V2302-L2328 HydrophobicContact CG2-CD1 3.89Å; V2302-L2328 HydrophobicContact CG2-CD2 4.47Å; V2302-L2328 HydrophobicContact CG2-CG 4.34Å; V2302-V2347 HydrophobicContact CB-CG1 4Å; V2302-V2347 HydrophobicContact CG1-CG1 3.64Å; V2302-M2351 HydrophobicContact CG1-CB 3.95Å; V2302-M2351 HydrophobicContact CG1-CE 3.97Å; V2302-M2351 HydrophobicContact CG1-CG 4.26Å |
| 2303 | Q | 87.7 | Confident | 83.1 | Confident | 54 Ų | 54 | 29.6 Ų | 29.6 | 25% | 0.252 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -65.7 | -39.8 | 178.8 | -174.5 | 58 | 11.9 | 0 | 0 | 112.3 | L2299 I2300 T2307 V2347 | L2299-Q2303 WeakPolarHBondContact O-CB 3.45Å; L2299-Q2303 PolarHBondContact O-N 3.07Å; I2300-Q2303 PolarHBondContact O-N 3.33Å; Q2303-T2307 WeakPolarHBondContact O-CB 3.43Å; Q2303-T2307 WeakPolarHBondContact O-CG2 3.42Å; Q2303-T2307 PolarHBondContact O-N 3.29Å; Q2303-T2307 PolarHBondContact O-OG1 3.05Å; Q2303-V2347 HydrophobicContact CB-CG1 3.99Å; Q2303-V2347 HydrophobicContact CB-CG2 4.48Å |
| 2304 | L | 88.6 | Confident | 83.2 | Confident | 9 Ų | 9 | 30.7 Ų | 30.7 | 5% | 0.047 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.3 | -41.3 | 175 | -178.4 | 61 | 0 | 0 | 0 | 111.9 | L2149 Y2150 I2169 I2300 V2302 T2307 A2308 | L2149-L2304 HydrophobicContact CB-CD2 3.75Å; L2149-L2304 HydrophobicContact CD1-CD2 4.34Å; Y2150-L2304 HydrophobicContact CD2-CD1 4.28Å; I2169-L2304 HydrophobicContact CD1-CD2 3.74Å; I2169-L2304 HydrophobicContact CD1-CG 4.01Å; I2169-L2304 HydrophobicContact CG1-CD2 4.29Å; I2300-L2304 WeakPolarHBondContact O-CB 3.44Å; I2300-L2304 PolarHBondContact O-N 2.88Å; V2302-L2304 PolarHBondContact O-N 2.84Å; L2304-T2307 WeakPolarHBondContact CA-OG1 3.25Å; L2304-T2307 PolarHBondContact O-OG1 3.46Å; L2304-T2307 VanDerWaalsContact O-OG1 3.14Å; L2304-A2308 VanDerWaalsContact O-CB 3.23Å; L2304-A2308 WeakPolarHBondContact O-CB 3.18Å; L2304-A2308 PolarHBondContact O-N 3.11Å |
| 2305 | T | 88.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -70.4 | -38.7 | 175.7 | 47.3 | 0 | 0 | 0 | 0 | 112.4 | I2169 L2301 V2302 L2309 L2321 A2324 M2351 | I2169-T2305 HydrophobicContact CG2-CG2 3.48Å; I2169-T2305 VanDerWaalsContact CG2-CG2 3.48Å; L2301-T2305 WeakPolarHBondContact O-CB 3.44Å; L2301-T2305 WeakPolarHBondContact O-CG2 3.38Å; L2301-T2305 PolarHBondContact O-N 3.37Å; L2301-T2305 PolarHBondContact O-OG1 3.14Å; V2302-T2305 WeakPolarHBondContact CA-OG1 3.47Å; V2302-T2305 PolarHBondContact O-N 3.1Å; V2302-T2305 PolarHBondContact O-OG1 3.16Å; V2302-T2305 VanDerWaalsContact O-OG1 3.07Å; T2305-L2309 VanDerWaalsContact O-CB 3.3Å; T2305-L2309 WeakPolarHBondContact O-CB 3.4Å; T2305-L2309 WeakPolarHBondContact O-CG 3.42Å; T2305-L2309 PolarHBondContact O-N 2.9Å; T2305-L2321 HydrophobicContact CG2-CD2 4.23Å; T2305-A2324 HydrophobicContact CG2-CB 4.47Å; T2305-M2351 WeakPolarHBondContact OG1-CE 3.38Å |
| 2306 | A | 87.9 | Confident | 82.9 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.1 | -43.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V2302 N2310 Q2350 M2351 | V2302-A2306 VanDerWaalsContact O-CB 3.27Å; V2302-A2306 WeakPolarHBondContact O-CB 3.12Å; V2302-A2306 PolarHBondContact O-N 3.14Å; A2306-N2310 WeakPolarHBondContact O-CB 3.28Å; A2306-N2310 PolarHBondContact O-N 3.35Å; A2306-N2310 PolarHBondContact O-ND2 2.89Å; A2306-Q2350 HydrophobicContact CB-CB 4.22Å; A2306-M2351 HydrophobicContact CB-CB 4.16Å; A2306-M2351 HydrophobicContact CB-CE 3.99Å |
| 2307 | T | 87 | Confident | 82.6 | Confident | 26 Ų | 26 | 30.7 Ų | 30.7 | 16% | 0.16 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.8 | -41.7 | 177.5 | 50.1 | 0 | 0 | 0 | 0 | 111.9 | Q2303 L2304 N2310 K2311 | Q2303-T2307 WeakPolarHBondContact O-CB 3.43Å; Q2303-T2307 WeakPolarHBondContact O-CG2 3.42Å; Q2303-T2307 PolarHBondContact O-N 3.29Å; Q2303-T2307 PolarHBondContact O-OG1 3.05Å; L2304-T2307 WeakPolarHBondContact CA-OG1 3.25Å; L2304-T2307 PolarHBondContact O-OG1 3.46Å; L2304-T2307 VanDerWaalsContact O-OG1 3.14Å; T2307-N2310 PolarHBondContact O-N 3.36Å; T2307-K2311 WeakPolarHBondContact O-CB 3.33Å; T2307-K2311 PolarHBondContact O-N 3.39Å |
| 2308 | A | 85.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.1 | -46.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L2153 L2304 N2310 C2312 L2321 | L2153-A2308 HydrophobicContact CD1-CB 4.3Å; L2304-A2308 VanDerWaalsContact O-CB 3.23Å; L2304-A2308 WeakPolarHBondContact O-CB 3.18Å; L2304-A2308 PolarHBondContact O-N 3.11Å; A2308-N2310 VanDerWaalsContact C-N 3.31Å; A2308-N2310 PolarHBondContact O-N 3.48Å; A2308-C2312 WeakPolarHBondContact O-CB 3.37Å; A2308-C2312 PolarHBondContact O-N 3.31Å; A2308-C2312 PolarHBondContact O-SG 3.18Å; A2308-L2321 HydrophobicContact CB-CD1 3.91Å |
| 2309 | L | 84.2 | Confident | 82.4 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.7 | -40.4 | 177.5 | -74.5 | 175.8 | 0 | 0 | 0 | 112.1 | T2305 K2318 L2321 L2322 M2351 A2354 L2355 | T2305-L2309 VanDerWaalsContact O-CB 3.3Å; T2305-L2309 WeakPolarHBondContact O-CB 3.4Å; T2305-L2309 WeakPolarHBondContact O-CG 3.42Å; T2305-L2309 PolarHBondContact O-N 2.9Å; L2309-K2318 HydrophobicContact CD2-CD 4.49Å; L2309-K2318 HydrophobicContact CD2-CG 4.13Å; L2309-K2318 PolarHBondContact O-NZ 3.46Å; L2309-L2321 HydrophobicContact CD2-CB 3.83Å; L2309-L2321 HydrophobicContact CD2-CD1 4.24Å; L2309-L2321 HydrophobicContact CG-CB 4.31Å; L2309-L2322 HydrophobicContact CD1-CD2 4.43Å; L2309-L2322 HydrophobicContact CD2-CD2 4.23Å; L2309-M2351 HydrophobicContact CD1-SD 4.18Å; L2309-A2354 HydrophobicContact CB-CB 3.86Å; L2309-A2354 HydrophobicContact CD1-CB 4.32Å; L2309-L2355 HydrophobicContact CD1-CD2 4.16Å |
| 2310 | N | 82.7 | Confident | 82.4 | Confident | 40 Ų | 40 | 31 Ų | 31 | 21% | 0.214 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -72.4 | -54 | 177.1 | -82 | -61.4 | 0 | 0 | 0 | 113.7 | A2306 T2307 A2308 A2354 R2357 | A2306-N2310 WeakPolarHBondContact O-CB 3.28Å; A2306-N2310 PolarHBondContact O-N 3.35Å; A2306-N2310 PolarHBondContact O-ND2 2.89Å; T2307-N2310 PolarHBondContact O-N 3.36Å; A2308-N2310 VanDerWaalsContact C-N 3.31Å; A2308-N2310 PolarHBondContact O-N 3.48Å; N2310-A2354 WeakPolarHBondContact ND2-CB 3.3Å; N2310-R2357 PolarHBondContact OD1-NE 3.09Å; N2310-R2357 PolarHBondContact OD1-NH2 3.14Å |
| 2311 | K | 82.4 | Confident | 82.6 | Confident | 134 Ų | 134 | 29.2 Ų | 29.2 | 58% | 0.583 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -72.6 | -34.3 | -172.9 | -71.4 | -176.6 | 175.3 | -176.6 | 0 | 113 | L2154 T2307 | L2154-K2311 HydrophobicContact CD1-CD 4.16Å; L2154-K2311 HydrophobicContact CD2-CB 3.67Å; L2154-K2311 HydrophobicContact CD2-CD 3.77Å; L2154-K2311 HydrophobicContact CD2-CG 4.33Å; T2307-K2311 WeakPolarHBondContact O-CB 3.33Å; T2307-K2311 PolarHBondContact O-N 3.39Å |
| 2312 | C | 78.3 | Confident | 82.6 | Confident | 10 Ų | 10 | 29.2 Ų | 29.2 | 7% | 0.068 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -79.9 | 141 | -172.1 | -61.9 | 0 | 0 | 0 | 0 | 114.3 | L2153 A2308 W2315 K2318 | L2153-C2312 PolarHBondContact O-SG 3.09Å; L2153-C2312 VanDerWaalsContact O-SG 3.37Å; A2308-C2312 WeakPolarHBondContact O-CB 3.37Å; A2308-C2312 PolarHBondContact O-N 3.31Å; A2308-C2312 PolarHBondContact O-SG 3.18Å; C2312-W2315 HydrophobicContact CB-CE3 4.26Å; C2312-W2315 HydrophobicContact CB-CH2 4.4Å; C2312-W2315 HydrophobicContact CB-CZ3 3.51Å; C2312-K2318 PolarHBondContact O-NZ 2.86Å |
| 2313 | Q | 73 | Confident | 82.7 | Confident | 128 Ų | 128 | 30.9 Ų | 30.9 | 60% | 0.598 | 16% | 0.159 | S | C | * | . | P | Polyproline II helix | trans | -61.6 | 157.5 | 166.7 | -63.5 | -62.8 | -9.9 | 0 | 0 | 112 | W2159 W2315 | W2159-Q2313 HydrophobicContact CH2-CB 4.23Å; Q2313-W2315 PolarHBondContact O-N 2.78Å |
| 2314 | P | 70.5 | Confident | 82.8 | Confident | 51 Ų | 51 | 28.3 Ų | 28.3 | 33% | 0.331 | 15% | 0.147 | S | C | . | . | P | Polyproline II helix | trans | -72 | 122.2 | 178.7 | 27.9 | -33.6 | 0 | 0 | 0 | 112 | I2367 | P2314-I2367 HydrophobicContact CB-CD1 3.87Å; P2314-I2367 HydrophobicContact CB-CG1 4.41Å |
| 2315 | W | 72.9 | Confident | 82.9 | Confident | 11 Ų | 11 | 28 Ų | 28 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | trans | -138 | 161.7 | 172.3 | 85.8 | 86.9 | 0 | 0 | 0 | 110.6 | L2153 W2159 H2162 N2163 S2166 C2312 Q2313 G2317 K2318 L2321 I2367 | L2153-W2315 HydrophobicContact CD2-CH2 4.1Å; W2159-W2315 HydrophobicContact CE3-CB 4.07Å; W2159-W2315 AromaticContact CE3-CD2 3.96Å; W2159-W2315 HydrophobicContact CE3-CD2 3.96Å; W2159-W2315 AromaticContact CE3-CE3 3.91Å; W2159-W2315 HydrophobicContact CE3-CE3 3.91Å; W2159-W2315 AromaticContact CE3-CG 3.97Å; W2159-W2315 HydrophobicContact CE3-CG 3.97Å; W2159-W2315 HydrophobicContact CH2-CE3 4.49Å; W2159-W2315 HydrophobicContact CZ3-CB 4.27Å; W2159-W2315 AromaticContact CZ3-CD2 3.99Å; W2159-W2315 HydrophobicContact CZ3-CD2 3.99Å; W2159-W2315 AromaticContact CZ3-CE3 3.46Å; W2159-W2315 HydrophobicContact CZ3-CE3 3.46Å; W2159-W2315 VanDerWaalsContact CZ3-CE3 3.46Å; W2159-W2315 HydrophobicContact CZ3-CG 4.29Å; W2159-W2315 HydrophobicContact CZ3-CZ3 4.12Å; H2162-W2315 HydrophobicContact CB-CH2 3.91Å; H2162-W2315 HydrophobicContact CB-CZ2 3.74Å; H2162-W2315 HydrophobicContact CB-CZ3 4.35Å; H2162-W2315 AromaticContact CD2-CH2 3.73Å; H2162-W2315 AromaticContact CD2-CZ3 3.59Å; N2163-W2315 VanDerWaalsContact OD1-CD1 3.24Å; N2163-W2315 PolarHBondContact OD1-NE1 3.27Å; S2166-W2315 WeakPolarHBondContact OG-CZ2 3.34Å; C2312-W2315 HydrophobicContact CB-CE3 4.26Å; C2312-W2315 HydrophobicContact CB-CH2 4.4Å; C2312-W2315 HydrophobicContact CB-CZ3 3.51Å; Q2313-W2315 PolarHBondContact O-N 2.78Å; W2315-G2317 PolarHBondContact O-N 3Å; W2315-K2318 HydrophobicContact CD2-CB 4.23Å; W2315-K2318 HydrophobicContact CZ2-CB 4.44Å; W2315-K2318 WeakPolarHBondContact O-CB 3.45Å; W2315-K2318 PolarHBondContact O-N 3.1Å; W2315-K2318 VanDerWaalsContact O-N 3.08Å; W2315-L2321 HydrophobicContact CH2-CD1 4.22Å; W2315-I2367 WeakPolarHBondContact O-CD1 3.43Å | ||
| 2316 | P | 70.1 | Confident | 82.9 | Confident | 99 Ų | 99 | 28.9 Ų | 28.9 | 64% | 0.643 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -44.2 | -170.1 | -27.4 | 35.8 | 0 | 0 | 0 | 115.6 | K2318 V2319 | P2316-K2318 PolarHBondContact O-N 3.44Å; P2316-K2318 VanDerWaalsContact O-N 3.14Å; P2316-V2319 WeakPolarHBondContact O-CG2 3.43Å; P2316-V2319 PolarHBondContact O-N 3.48Å |
| 2317 | G | 74.6 | Confident | 82.9 | Confident | 3 Ų | 3 | 29.6 Ų | 29.6 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -4.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | N2163 W2315 V2319 Y2320 | N2163-G2317 WeakPolarHBondContact OD1-CA 3.4Å; W2315-G2317 PolarHBondContact O-N 3Å; G2317-V2319 PolarHBondContact O-N 3.02Å; G2317-V2319 VanDerWaalsContact O-N 3.1Å; G2317-Y2320 WeakPolarHBondContact O-CB 3.4Å; G2317-Y2320 WeakPolarHBondContact O-CD2 3.32Å; G2317-Y2320 PolarHBondContact O-N 3.49Å |
| 2318 | K | 83.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.8 | -16.7 | 172.7 | -156.1 | 174.1 | -171.7 | -173.4 | 0 | 112.2 | L2309 C2312 W2315 P2316 Y2320 L2321 L2322 E2358 Y2371 | L2309-K2318 HydrophobicContact CD2-CD 4.49Å; L2309-K2318 HydrophobicContact CD2-CG 4.13Å; L2309-K2318 PolarHBondContact O-NZ 3.46Å; C2312-K2318 PolarHBondContact O-NZ 2.86Å; W2315-K2318 HydrophobicContact CD2-CB 4.23Å; W2315-K2318 HydrophobicContact CZ2-CB 4.44Å; W2315-K2318 WeakPolarHBondContact O-CB 3.45Å; W2315-K2318 PolarHBondContact O-N 3.1Å; W2315-K2318 VanDerWaalsContact O-N 3.08Å; P2316-K2318 PolarHBondContact O-N 3.44Å; P2316-K2318 VanDerWaalsContact O-N 3.14Å; K2318-Y2320 VanDerWaalsContact C-N 3.26Å; K2318-Y2320 PolarHBondContact O-N 2.81Å; K2318-L2321 HydrophobicContact CG-CD1 4.25Å; K2318-L2321 PolarHBondContact O-N 2.92Å; K2318-L2322 PolarHBondContact O-N 3.11Å; K2318-E2358 WeakPolarHBondContact CE-OE1 3.45Å; K2318-E2358 IonicContact NZ-OE1 2.91Å; K2318-E2358 PolarHBondContact NZ-OE1 3.36Å; K2318-Y2371 HydrophobicContact CB-CE2 4Å; K2318-Y2371 HydrophobicContact CG-CE2 4.37Å |
| 2319 | V | 84.4 | Confident | 82.8 | Confident | 25 Ų | 25 | 28.4 Ų | 28.4 | 15% | 0.152 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -56.7 | -36.3 | 166.5 | 176.7 | 0 | 0 | 0 | 0 | 112.1 | P2316 G2317 L2321 L2322 R2323 Y2371 | P2316-V2319 WeakPolarHBondContact O-CG2 3.43Å; P2316-V2319 PolarHBondContact O-N 3.48Å; G2317-V2319 PolarHBondContact O-N 3.02Å; G2317-V2319 VanDerWaalsContact O-N 3.1Å; V2319-L2321 VanDerWaalsContact C-N 3.3Å; V2319-L2321 PolarHBondContact O-N 3.44Å; V2319-L2322 PolarHBondContact O-N 3.46Å; V2319-R2323 HydrophobicContact CG1-CG 4.32Å; V2319-R2323 WeakPolarHBondContact O-CG 3.2Å; V2319-R2323 PolarHBondContact O-N 3.1Å; V2319-Y2371 HydrophobicContact CG2-CD2 3.68Å; V2319-Y2371 HydrophobicContact CG2-CE2 4.31Å |
| 2320 | Y | 85.9 | Confident | 82.8 | Confident | 23 Ų | 23 | 31 Ų | 31 | 9% | 0.09 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66 | -33 | 179.8 | -56.7 | -52.3 | 0 | 0 | 0 | 112 | F2167 L2170 G2317 K2318 R2323 A2324 | F2167-Y2320 HydrophobicContact CD2-CD1 4.08Å; F2167-Y2320 HydrophobicContact CD2-CD2 4.4Å; F2167-Y2320 HydrophobicContact CD2-CE1 4.08Å; F2167-Y2320 HydrophobicContact CD2-CE2 4.4Å; F2167-Y2320 HydrophobicContact CD2-CG 4.27Å; F2167-Y2320 HydrophobicContact CE2-CE1 4.42Å; L2170-Y2320 HydrophobicContact CD2-CD1 3.81Å; L2170-Y2320 HydrophobicContact CD2-CG 4.37Å; G2317-Y2320 WeakPolarHBondContact O-CB 3.4Å; G2317-Y2320 WeakPolarHBondContact O-CD2 3.32Å; G2317-Y2320 PolarHBondContact O-N 3.49Å; K2318-Y2320 VanDerWaalsContact C-N 3.26Å; K2318-Y2320 PolarHBondContact O-N 2.81Å; Y2320-R2323 PolarHBondContact O-N 2.66Å; Y2320-A2324 WeakPolarHBondContact O-CB 3.35Å; Y2320-A2324 PolarHBondContact O-N 3.33Å |
| 2321 | L | 89.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.4 | -39.7 | 172.8 | -60.5 | 179.7 | 0 | 0 | 0 | 112 | I2169 T2305 A2308 L2309 W2315 K2318 V2319 A2324 A2325 | I2169-L2321 HydrophobicContact CD1-CD2 4.18Å; T2305-L2321 HydrophobicContact CG2-CD2 4.23Å; A2308-L2321 HydrophobicContact CB-CD1 3.91Å; L2309-L2321 HydrophobicContact CD2-CB 3.83Å; L2309-L2321 HydrophobicContact CD2-CD1 4.24Å; L2309-L2321 HydrophobicContact CG-CB 4.31Å; W2315-L2321 HydrophobicContact CH2-CD1 4.22Å; K2318-L2321 HydrophobicContact CG-CD1 4.25Å; K2318-L2321 PolarHBondContact O-N 2.92Å; V2319-L2321 VanDerWaalsContact C-N 3.3Å; V2319-L2321 PolarHBondContact O-N 3.44Å; L2321-A2324 PolarHBondContact O-N 3.03Å; L2321-A2325 WeakPolarHBondContact O-CB 3.38Å; L2321-A2325 PolarHBondContact O-N 3.28Å |
| 2322 | L | 89.2 | Confident | 82.8 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.1 | -41.7 | 173.9 | -67.1 | 177 | 0 | 0 | 0 | 112 | L2309 K2318 V2319 R2326 L2355 Y2371 E2374 A2375 T2378 | L2309-L2322 HydrophobicContact CD1-CD2 4.43Å; L2309-L2322 HydrophobicContact CD2-CD2 4.23Å; K2318-L2322 PolarHBondContact O-N 3.11Å; V2319-L2322 PolarHBondContact O-N 3.46Å; L2322-R2326 PolarHBondContact O-N 2.77Å; L2322-L2355 HydrophobicContact CD2-CD2 3.89Å; L2322-Y2371 HydrophobicContact CD1-CD2 3.98Å; L2322-Y2371 HydrophobicContact CD1-CE1 4.13Å; L2322-Y2371 HydrophobicContact CD1-CE2 3.48Å; L2322-Y2371 VanDerWaalsContact CD1-CE2 3.48Å; L2322-Y2371 HydrophobicContact CD1-CG 4.46Å; L2322-Y2371 HydrophobicContact CG-CE2 4.28Å; L2322-E2374 HydrophobicContact CB-CG 4.18Å; L2322-A2375 HydrophobicContact CD1-CB 3.82Å; L2322-A2375 HydrophobicContact CD2-CB 4.36Å; L2322-T2378 VanDerWaalsContact O-CG2 3.25Å; L2322-T2378 WeakPolarHBondContact O-CG2 3.44Å; L2322-T2378 PolarHBondContact O-OG1 3.37Å |
| 2323 | R | 89.9 | Confident | 82.6 | Confident | 35 Ų | 35 | 25.6 Ų | 25.6 | 13% | 0.132 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.8 | -40.7 | 173.8 | -71.2 | 174.9 | 179.3 | 172.7 | 2.8 | 111.2 | E2031 L2170 V2319 Y2320 R2326 L2327 E2374 | E2031-R2323 IonicContact OE1-CZ 3.32Å; E2031-R2323 IonicContact OE1-NH1 3.4Å; E2031-R2323 PolarHBondContact OE1-NH1 3.44Å; E2031-R2323 IonicContact OE1-NH2 2.7Å; L2170-R2323 HydrophobicContact CD1-CB 3.66Å; L2170-R2323 HydrophobicContact CD2-CB 4.34Å; V2319-R2323 HydrophobicContact CG1-CG 4.32Å; V2319-R2323 WeakPolarHBondContact O-CG 3.2Å; V2319-R2323 PolarHBondContact O-N 3.1Å; Y2320-R2323 PolarHBondContact O-N 2.66Å; R2323-R2326 PolarHBondContact O-N 2.73Å; R2323-L2327 WeakPolarHBondContact O-CG 3.47Å; R2323-L2327 PolarHBondContact O-N 2.92Å; R2323-L2327 VanDerWaalsContact O-N 3.09Å; R2323-E2374 VanDerWaalsContact CG-CD 3.47Å; R2323-E2374 HydrophobicContact CG-CG 4.1Å; R2323-E2374 WeakPolarHBondContact CG-OE2 3.41Å; R2323-E2374 IonicContact CZ-OE2 2.75Å; R2323-E2374 IonicContact NE-OE2 3.31Å; R2323-E2374 PolarHBondContact NE-OE2 2.83Å; R2323-E2374 IonicContact NH2-OE2 3.07Å |
| 2324 | A | 89.2 | Confident | 82.7 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.1 | -46.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I2169 L2170 A2173 T2305 Y2320 L2321 R2326 L2327 L2328 | I2169-A2324 HydrophobicContact CG2-CB 3.89Å; L2170-A2324 HydrophobicContact CB-CB 4.32Å; L2170-A2324 HydrophobicContact CD1-CB 4.18Å; A2173-A2324 HydrophobicContact CB-CB 4.28Å; T2305-A2324 HydrophobicContact CG2-CB 4.47Å; Y2320-A2324 WeakPolarHBondContact O-CB 3.35Å; Y2320-A2324 PolarHBondContact O-N 3.33Å; L2321-A2324 PolarHBondContact O-N 3.03Å; A2324-R2326 VanDerWaalsContact C-N 3.26Å; A2324-R2326 PolarHBondContact O-N 2.78Å; A2324-L2327 PolarHBondContact O-N 3.18Å; A2324-L2327 VanDerWaalsContact O-N 3.12Å; A2324-L2328 WeakPolarHBondContact O-CG 3.45Å; A2324-L2328 PolarHBondContact O-N 3.38Å |
| 2325 | A | 90.7 | Very high | 82.8 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.5 | -35.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L2321 L2328 G2329 M2351 L2355 T2378 | L2321-A2325 WeakPolarHBondContact O-CB 3.38Å; L2321-A2325 PolarHBondContact O-N 3.28Å; A2325-L2328 PolarHBondContact O-N 3.42Å; A2325-G2329 PolarHBondContact O-N 2.89Å; A2325-M2351 HydrophobicContact CB-CE 4.04Å; A2325-M2351 HydrophobicContact CB-SD 4Å; A2325-L2355 HydrophobicContact CB-CD2 4.45Å; A2325-T2378 HydrophobicContact CB-CG2 3.89Å |
| 2326 | R | 90.8 | Very high | 82.5 | Confident | 20 Ų | 20 | 30.5 Ų | 30.5 | 8% | 0.075 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.7 | -45.5 | 172.6 | 175.5 | 161.4 | 58.8 | 66.7 | 0.3 | 112.3 | L2322 R2323 A2324 L2328 G2329 E2330 E2374 T2378 S2381 | L2322-R2326 PolarHBondContact O-N 2.77Å; R2323-R2326 PolarHBondContact O-N 2.73Å; A2324-R2326 VanDerWaalsContact C-N 3.26Å; A2324-R2326 PolarHBondContact O-N 2.78Å; R2326-L2328 VanDerWaalsContact C-N 3.29Å; R2326-L2328 PolarHBondContact O-N 2.91Å; R2326-G2329 CarbonylContact O-C 3.34Å; R2326-G2329 WeakPolarHBondContact O-CA 3.32Å; R2326-G2329 PolarHBondContact O-N 3.08Å; R2326-G2329 VanDerWaalsContact O-N 3.11Å; R2326-E2330 WeakPolarHBondContact CG-OE1 3.33Å; R2326-E2330 IonicContact NH1-OE1 3.3Å; R2326-E2330 PolarHBondContact NH1-OE1 2.84Å; R2326-E2330 WeakPolarHBondContact O-CG 3.14Å; R2326-E2330 PolarHBondContact O-N 3.17Å; R2326-E2374 IonicContact CZ-OE1 2.81Å; R2326-E2374 IonicContact NE-OE1 3.98Å; R2326-E2374 PolarHBondContact NE-OE1 2.98Å; R2326-E2374 IonicContact NH2-OE1 2.79Å; R2326-E2374 PolarHBondContact NH2-OE1 2.88Å; R2326-T2378 HydrophobicContact CB-CG2 4.04Å; R2326-S2381 WeakPolarHBondContact CD-OG 3.33Å; R2326-S2381 VanDerWaalsContact CG-OG 3.31Å; R2326-S2381 WeakPolarHBondContact CG-OG 3.2Å |
| 2327 | L | 87.1 | Confident | 82.6 | Confident | 14 Ų | 14 | 31.9 Ų | 31.9 | 7% | 0.073 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.5 | -33.2 | 176 | -64.1 | 179.5 | 0 | 0 | 0 | 112.4 | L2170 A2173 T2174 L2177 R2323 A2324 E2330 F2331 | L2170-L2327 HydrophobicContact CD1-CD1 3.8Å; A2173-L2327 HydrophobicContact CB-CB 4.07Å; T2174-L2327 VanDerWaalsContact OG1-CD1 3.23Å; T2174-L2327 WeakPolarHBondContact OG1-CD1 3.45Å; L2177-L2327 HydrophobicContact CD1-CB 3.78Å; L2177-L2327 HydrophobicContact CD1-CD2 3.65Å; L2177-L2327 HydrophobicContact CD1-CG 4.22Å; L2177-L2327 WeakPolarHBondContact CD1-O 3.4Å; R2323-L2327 WeakPolarHBondContact O-CG 3.47Å; R2323-L2327 PolarHBondContact O-N 2.92Å; R2323-L2327 VanDerWaalsContact O-N 3.09Å; A2324-L2327 PolarHBondContact O-N 3.18Å; A2324-L2327 VanDerWaalsContact O-N 3.12Å; L2327-E2330 PolarHBondContact O-N 3.32Å; L2327-F2331 PolarHBondContact O-N 2.86Å |
| 2328 | L | 87.4 | Confident | 82.6 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69 | -33 | 172.1 | -67.3 | 166.4 | 0 | 0 | 0 | 112 | A2173 W2298 L2301 V2302 A2324 A2325 R2326 A2332 | A2173-L2328 HydrophobicContact CB-CD2 4.16Å; A2173-L2328 HydrophobicContact CB-CG 4.01Å; W2298-L2328 HydrophobicContact CG-CD2 4.43Å; W2298-L2328 PolarHBondContact NE1-O 3.49Å; L2301-L2328 HydrophobicContact CB-CD1 4.14Å; L2301-L2328 HydrophobicContact CB-CD2 4.2Å; V2302-L2328 HydrophobicContact CG2-CB 4.03Å; V2302-L2328 HydrophobicContact CG2-CD1 3.89Å; V2302-L2328 HydrophobicContact CG2-CD2 4.47Å; V2302-L2328 HydrophobicContact CG2-CG 4.34Å; A2324-L2328 WeakPolarHBondContact O-CG 3.45Å; A2324-L2328 PolarHBondContact O-N 3.38Å; A2325-L2328 PolarHBondContact O-N 3.42Å; R2326-L2328 VanDerWaalsContact C-N 3.29Å; R2326-L2328 PolarHBondContact O-N 2.91Å; L2328-A2332 PolarHBondContact O-N 3.16Å; L2328-A2332 VanDerWaalsContact O-N 3.09Å |
| 2329 | G | 83.6 | Confident | 82 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.5 | -41.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A2325 R2326 F2331 A2332 L2333 | A2325-G2329 PolarHBondContact O-N 2.89Å; R2326-G2329 CarbonylContact O-C 3.34Å; R2326-G2329 WeakPolarHBondContact O-CA 3.32Å; R2326-G2329 PolarHBondContact O-N 3.08Å; R2326-G2329 VanDerWaalsContact O-N 3.11Å; G2329-F2331 VanDerWaalsContact C-N 3.27Å; G2329-F2331 PolarHBondContact O-N 3.04Å; G2329-A2332 PolarHBondContact O-N 3.37Å; G2329-L2333 PolarHBondContact O-N 2.91Å; G2329-L2333 VanDerWaalsContact O-N 3.07Å |
| 2330 | E | 82.6 | Confident | 81.4 | Confident | 56 Ų | 56 | 39.2 Ų | 39.2 | 26% | 0.262 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.1 | -38.5 | 172.2 | -71.4 | 172.9 | -144.5 | 0 | 0 | 110.9 | L2177 R2326 L2327 L2333 E2334 | L2177-E2330 HydrophobicContact CD1-CB 4.07Å; L2177-E2330 HydrophobicContact CD2-CB 4.17Å; R2326-E2330 WeakPolarHBondContact CG-OE1 3.33Å; R2326-E2330 IonicContact NH1-OE1 3.3Å; R2326-E2330 PolarHBondContact NH1-OE1 2.84Å; R2326-E2330 WeakPolarHBondContact O-CG 3.14Å; R2326-E2330 PolarHBondContact O-N 3.17Å; L2327-E2330 PolarHBondContact O-N 3.32Å; E2330-L2333 WeakPolarHBondContact O-CB 3.48Å; E2330-L2333 PolarHBondContact O-N 3.17Å; E2330-E2334 PolarHBondContact O-N 3.21Å |
| 2331 | F | 83.6 | Confident | 80.9 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.4 | -40.9 | 173.9 | -179.4 | -88.3 | 0 | 0 | 0 | 112.8 | M2176 L2177 F2181 W2298 L2327 G2329 L2333 E2334 Q2335 | M2176-F2331 HydrophobicContact CB-CD2 3.73Å; M2176-F2331 HydrophobicContact CB-CE2 3.91Å; M2176-F2331 HydrophobicContact CB-CG 4.43Å; M2176-F2331 HydrophobicContact CE-CD2 4.39Å; M2176-F2331 HydrophobicContact CE-CE1 4.15Å; M2176-F2331 HydrophobicContact CE-CE2 3.59Å; M2176-F2331 HydrophobicContact CE-CZ 3.45Å; M2176-F2331 VanDerWaalsContact CE-CZ 3.45Å; L2177-F2331 HydrophobicContact CD2-CB 4.12Å; L2177-F2331 HydrophobicContact CG-CB 4.39Å; F2181-F2331 HydrophobicContact CE2-CD2 4.31Å; F2181-F2331 AromaticContact CE2-CE2 3.66Å; F2181-F2331 HydrophobicContact CE2-CE2 3.66Å; F2181-F2331 HydrophobicContact CE2-CZ 4.31Å; F2181-F2331 AromaticContact CZ-CE2 3.49Å; F2181-F2331 HydrophobicContact CZ-CE2 3.49Å; F2181-F2331 VanDerWaalsContact CZ-CE2 3.49Å; F2181-F2331 AromaticContact CZ-CZ 3.74Å; F2181-F2331 HydrophobicContact CZ-CZ 3.74Å; W2298-F2331 HydrophobicContact CB-CD1 4.39Å; W2298-F2331 HydrophobicContact CB-CE1 4.09Å; W2298-F2331 AromaticContact CD1-CD1 3.27Å; W2298-F2331 AromaticContact CD1-CE1 3.84Å; W2298-F2331 AromaticContact CG-CD1 3.97Å; W2298-F2331 HydrophobicContact CG-CD1 3.97Å; W2298-F2331 HydrophobicContact CG-CE1 4.1Å; W2298-F2331 AromaticContact NE1-CD1 3.8Å; L2327-F2331 PolarHBondContact O-N 2.86Å; G2329-F2331 VanDerWaalsContact C-N 3.27Å; G2329-F2331 PolarHBondContact O-N 3.04Å; F2331-L2333 VanDerWaalsContact C-N 3.27Å; F2331-L2333 PolarHBondContact O-N 2.81Å; F2331-E2334 PolarHBondContact O-N 3.42Å; F2331-Q2335 HydrophobicContact CE1-CB 4.4Å; F2331-Q2335 HydrophobicContact CE1-CG 4.24Å; F2331-Q2335 HydrophobicContact CZ-CG 4.26Å; F2331-Q2335 PolarHBondContact O-N 3Å; F2331-Q2335 VanDerWaalsContact O-N 3.07Å |
| 2332 | A | 81.7 | Confident | 80.1 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 2% | 0.017 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.6 | -28.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | W2298 L2328 G2329 Q2335 Q2336 I2339 A2385 | W2298-A2332 HydrophobicContact CZ2-CB 3.86Å; L2328-A2332 PolarHBondContact O-N 3.16Å; L2328-A2332 VanDerWaalsContact O-N 3.09Å; G2329-A2332 PolarHBondContact O-N 3.37Å; A2332-Q2335 CarbonylContact O-C 3.59Å; A2332-Q2335 VanDerWaalsContact O-C 3.24Å; A2332-Q2335 PolarHBondContact O-N 3.01Å; A2332-Q2336 PolarHBondContact O-N 3.02Å; A2332-I2339 HydrophobicContact CB-CD1 3.85Å; A2332-I2339 HydrophobicContact CB-CG1 4.03Å; A2332-A2385 HydrophobicContact CB-CB 4.49Å |
| 2333 | L | 75.1 | Confident | 79.4 | Confident | 67 Ų | 67 | 51 Ų | 51 | 35% | 0.351 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.3 | -34.2 | 168.5 | -85.4 | 163.2 | 0 | 0 | 0 | 113.2 | I2042 G2329 E2330 F2331 Q2335 A2385 | I2042-L2333 HydrophobicContact CD1-CD1 4.47Å; G2329-L2333 PolarHBondContact O-N 2.91Å; G2329-L2333 VanDerWaalsContact O-N 3.07Å; E2330-L2333 WeakPolarHBondContact O-CB 3.48Å; E2330-L2333 PolarHBondContact O-N 3.17Å; F2331-L2333 VanDerWaalsContact C-N 3.27Å; F2331-L2333 PolarHBondContact O-N 2.81Å; L2333-Q2335 VanDerWaalsContact C-N 3.3Å; L2333-A2385 HydrophobicContact CD1-CB 4.2Å; L2333-A2385 HydrophobicContact CD2-CB 4.38Å; L2333-A2385 HydrophobicContact CG-CB 3.73Å |
| 2334 | E | 75.1 | Confident | 78.9 | Confident | 108 Ų | 108 | 49.6 Ų | 49.6 | 51% | 0.505 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -75.5 | -20 | 174 | -66.2 | -174.7 | 164.1 | 0 | 0 | 112.3 | E2330 F2331 | E2330-E2334 PolarHBondContact O-N 3.21Å; F2331-E2334 PolarHBondContact O-N 3.42Å |
| 2335 | Q | 72.1 | Confident | 78.5 | Confident | 43 Ų | 43 | 53 Ų | 53 | 20% | 0.201 | 28% | 0.276 | C | S | . | . | trans | -131.5 | 67.4 | -174 | -71 | -67.2 | -2.2 | 0 | 0 | 113 | F2181 F2331 A2332 L2333 N2337 V2338 | F2181-Q2335 HydrophobicContact CE2-CG 4.34Å; F2181-Q2335 HydrophobicContact CZ-CG 4.1Å; F2331-Q2335 HydrophobicContact CE1-CB 4.4Å; F2331-Q2335 HydrophobicContact CE1-CG 4.24Å; F2331-Q2335 HydrophobicContact CZ-CG 4.26Å; F2331-Q2335 PolarHBondContact O-N 3Å; F2331-Q2335 VanDerWaalsContact O-N 3.07Å; A2332-Q2335 CarbonylContact O-C 3.59Å; A2332-Q2335 VanDerWaalsContact O-C 3.24Å; A2332-Q2335 PolarHBondContact O-N 3.01Å; L2333-Q2335 VanDerWaalsContact C-N 3.3Å; Q2335-N2337 PolarHBondContact O-N 2.79Å; Q2335-V2338 HydrophobicContact CB-CG2 3.99Å; Q2335-V2338 WeakPolarHBondContact O-CB 3.45Å; Q2335-V2338 WeakPolarHBondContact O-CG2 3.44Å; Q2335-V2338 PolarHBondContact O-N 2.94Å; Q2335-V2338 VanDerWaalsContact O-N 3.08Å | ||
| 2336 | Q | 66.4 | Low | 78 | Confident | 142 Ų | 142 | 58.4 Ų | 58.4 | 66% | 0.664 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -33.7 | -173.4 | -63.8 | -169.2 | -89.6 | 0 | 0 | 114.8 | A2332 V2338 I2339 | A2332-Q2336 PolarHBondContact O-N 3.02Å; Q2336-V2338 PolarHBondContact O-N 3.13Å; Q2336-V2338 VanDerWaalsContact O-N 3.12Å; Q2336-I2339 PolarHBondContact O-N 3.36Å; Q2336-I2339 VanDerWaalsContact O-N 3.1Å |
| 2337 | N | 71.7 | Confident | 77.5 | Confident | 127 Ų | 127 | 58.2 Ų | 58.2 | 68% | 0.679 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -53.2 | -34.2 | 178.8 | -64.5 | 4.3 | 0 | 0 | 0 | 113.1 | Q2335 I2339 E2340 E2341 | Q2335-N2337 PolarHBondContact O-N 2.79Å; N2337-I2339 PolarHBondContact O-N 3.15Å; N2337-E2340 PolarHBondContact O-N 2.77Å; N2337-E2341 PolarHBondContact O-N 3.16Å |
| 2338 | V | 74.8 | Confident | 77.3 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.024 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.2 | -26.5 | -176.2 | -179.5 | 0 | 0 | 0 | 0 | 112.2 | V2295 W2298 Q2335 Q2336 N2344 | V2295-V2338 HydrophobicContact CB-CG2 4.42Å; V2295-V2338 HydrophobicContact CG1-CG1 4.19Å; V2295-V2338 HydrophobicContact CG1-CG2 4.01Å; V2295-V2338 HydrophobicContact CG2-CG2 3.66Å; W2298-V2338 HydrophobicContact CD2-CG1 3.91Å; W2298-V2338 HydrophobicContact CE3-CG1 3.43Å; W2298-V2338 VanDerWaalsContact CE3-CG1 3.43Å; W2298-V2338 HydrophobicContact CH2-CG1 3.9Å; W2298-V2338 HydrophobicContact CZ2-CG1 4.32Å; W2298-V2338 HydrophobicContact CZ3-CG1 3.44Å; W2298-V2338 VanDerWaalsContact CZ3-CG1 3.44Å; Q2335-V2338 HydrophobicContact CB-CG2 3.99Å; Q2335-V2338 WeakPolarHBondContact O-CB 3.45Å; Q2335-V2338 WeakPolarHBondContact O-CG2 3.44Å; Q2335-V2338 PolarHBondContact O-N 2.94Å; Q2335-V2338 VanDerWaalsContact O-N 3.08Å; Q2336-V2338 PolarHBondContact O-N 3.13Å; Q2336-V2338 VanDerWaalsContact O-N 3.12Å; V2338-N2344 PolarHBondContact O-ND2 2.78Å |
| 2339 | I | 71.4 | Confident | 77.1 | Confident | 21 Ų | 21 | 60.8 Ų | 60.8 | 11% | 0.108 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -85.4 | -34.5 | -178.2 | -52.4 | -176.6 | 0 | 0 | 0 | 111 | A2332 Q2336 N2337 E2341 Q2345 I2348 A2385 C2386 | A2332-I2339 HydrophobicContact CB-CD1 3.85Å; A2332-I2339 HydrophobicContact CB-CG1 4.03Å; Q2336-I2339 PolarHBondContact O-N 3.36Å; Q2336-I2339 VanDerWaalsContact O-N 3.1Å; N2337-I2339 PolarHBondContact O-N 3.15Å; I2339-E2341 VanDerWaalsContact C-N 3.3Å; I2339-E2341 PolarHBondContact O-N 2.86Å; I2339-Q2345 PolarHBondContact O-NE2 2.78Å; I2339-I2348 HydrophobicContact CG2-CD1 4.46Å; I2339-A2385 HydrophobicContact CD1-CB 4.28Å; I2339-A2385 WeakPolarHBondContact CD1-O 3.21Å; I2339-C2386 HydrophobicContact CG2-CB 4.5Å |
| 2340 | E | 71.3 | Confident | 77.1 | Confident | 157 Ų | 157 | 64.3 Ų | 64.3 | 73% | 0.734 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -76.3 | -17.2 | -179.9 | -61.8 | -169.7 | 168.5 | 0 | 0 | 113.2 | N2337 | N2337-E2340 PolarHBondContact O-N 2.77Å |
| 2341 | E | 76.5 | Confident | 77.4 | Confident | 87 Ų | 87 | 61.7 Ų | 61.7 | 41% | 0.407 | 32% | 0.323 | S | S | . | . | trans | -71.5 | 122.3 | -178.3 | -179.8 | 167.6 | -133.8 | 0 | 0 | 112.5 | N2337 I2339 A2343 N2344 | N2337-E2341 PolarHBondContact O-N 3.16Å; I2339-E2341 VanDerWaalsContact C-N 3.3Å; I2339-E2341 PolarHBondContact O-N 2.86Å; E2341-A2343 VanDerWaalsContact C-N 3.31Å; E2341-A2343 HydrophobicContact CG-CB 4.44Å; E2341-A2343 PolarHBondContact O-N 3.47Å; E2341-N2344 PolarHBondContact O-N 3.1Å; E2341-N2344 VanDerWaalsContact O-N 3.1Å; E2341-N2344 PolarHBondContact OE2-ND2 3.15Å | ||
| 2342 | P | 73 | Confident | 77.4 | Confident | 112 Ų | 112 | 62.3 Ų | 62.3 | 73% | 0.727 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -68.3 | -26 | -169.7 | 25.9 | -35 | 0 | 0 | 0 | 114 | N2344 Q2345 | P2342-N2344 PolarHBondContact O-N 2.84Å; P2342-Q2345 PolarHBondContact O-N 3.09Å |
| 2343 | A | 72.9 | Confident | 77.5 | Confident | 73 Ų | 73 | 64.3 Ų | 64.3 | 60% | 0.603 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -65.6 | -23.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E2341 | E2341-A2343 VanDerWaalsContact C-N 3.31Å; E2341-A2343 HydrophobicContact CG-CB 4.44Å; E2341-A2343 PolarHBondContact O-N 3.47Å |
| 2344 | N | 80 | Confident | 78 | Confident | 5 Ų | 5 | 61.1 Ų | 61.1 | 3% | 0.027 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -90.2 | -13.8 | -175.5 | -56.7 | -16.8 | 0 | 0 | 0 | 112 | L2299 V2338 E2341 P2342 D2346 V2347 I2348 | L2299-N2344 HydrophobicContact CD1-CB 4.24Å; L2299-N2344 WeakPolarHBondContact CD1-OD1 3.48Å; V2338-N2344 PolarHBondContact O-ND2 2.78Å; E2341-N2344 PolarHBondContact O-N 3.1Å; E2341-N2344 VanDerWaalsContact O-N 3.1Å; E2341-N2344 PolarHBondContact OE2-ND2 3.15Å; P2342-N2344 PolarHBondContact O-N 2.84Å; N2344-D2346 PolarHBondContact O-N 3.11Å; N2344-V2347 PolarHBondContact O-N 3.27Å; N2344-I2348 HydrophobicContact CB-CD1 4.18Å; N2344-I2348 VanDerWaalsContact O-CG1 3.29Å; N2344-I2348 WeakPolarHBondContact O-CG1 3.46Å; N2344-I2348 PolarHBondContact O-N 3.17Å |
| 2345 | Q | 80.4 | Confident | 78.6 | Confident | 70 Ų | 70 | 56 Ų | 56 | 33% | 0.327 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.2 | -39.7 | -175.2 | -72.7 | -71.6 | -43.5 | 0 | 0 | 113 | I2339 P2342 V2347 I2348 H2349 | I2339-Q2345 PolarHBondContact O-NE2 2.78Å; P2342-Q2345 PolarHBondContact O-N 3.09Å; Q2345-V2347 VanDerWaalsContact C-N 3.33Å; Q2345-V2347 PolarHBondContact O-N 2.94Å; Q2345-I2348 PolarHBondContact O-N 3.31Å; Q2345-H2349 VanDerWaalsContact O-CB 3.28Å; Q2345-H2349 WeakPolarHBondContact O-CB 3.42Å; Q2345-H2349 PolarHBondContact O-N 2.85Å |
| 2346 | D | 79.7 | Confident | 79.1 | Confident | 115 Ų | 115 | 55.9 Ų | 55.9 | 62% | 0.615 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.3 | -36.9 | 177.4 | -70.8 | -29.8 | 0 | 0 | 0 | 112.4 | N2344 H2349 Q2350 | N2344-D2346 PolarHBondContact O-N 3.11Å; D2346-H2349 PolarHBondContact O-N 2.89Å; D2346-Q2350 WeakPolarHBondContact O-CG 3.38Å; D2346-Q2350 PolarHBondContact O-N 2.84Å |
| 2347 | V | 81.8 | Confident | 79.8 | Confident | 17 Ų | 17 | 54.6 Ų | 54.6 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -72.1 | -42.8 | 177.8 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | L2299 V2302 Q2303 N2344 Q2345 H2349 Q2350 M2351 | L2299-V2347 HydrophobicContact CD1-CB 4.05Å; L2299-V2347 HydrophobicContact CD1-CG1 4.14Å; L2299-V2347 HydrophobicContact CD1-CG2 3.82Å; V2302-V2347 HydrophobicContact CB-CG1 4Å; V2302-V2347 HydrophobicContact CG1-CG1 3.64Å; Q2303-V2347 HydrophobicContact CB-CG1 3.99Å; Q2303-V2347 HydrophobicContact CB-CG2 4.48Å; N2344-V2347 PolarHBondContact O-N 3.27Å; Q2345-V2347 VanDerWaalsContact C-N 3.33Å; Q2345-V2347 PolarHBondContact O-N 2.94Å; V2347-H2349 VanDerWaalsContact C-N 3.31Å; V2347-H2349 PolarHBondContact O-N 3.49Å; V2347-Q2350 PolarHBondContact O-N 3.15Å; V2347-M2351 PolarHBondContact O-N 2.92Å |
| 2348 | I | 83.3 | Confident | 80.4 | Confident | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.036 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 172.4 | -68.8 | 165.2 | 0 | 0 | 0 | 110.4 | W2298 I2339 N2344 Q2345 M2351 W2352 F2382 | W2298-I2348 HydrophobicContact CH2-CD1 4.29Å; W2298-I2348 HydrophobicContact CH2-CG1 4Å; I2339-I2348 HydrophobicContact CG2-CD1 4.46Å; N2344-I2348 HydrophobicContact CB-CD1 4.18Å; N2344-I2348 VanDerWaalsContact O-CG1 3.29Å; N2344-I2348 WeakPolarHBondContact O-CG1 3.46Å; N2344-I2348 PolarHBondContact O-N 3.17Å; Q2345-I2348 PolarHBondContact O-N 3.31Å; I2348-M2351 PolarHBondContact O-N 3.29Å; I2348-W2352 WeakPolarHBondContact O-CB 3.33Å; I2348-W2352 PolarHBondContact O-N 3.26Å; I2348-F2382 HydrophobicContact CG2-CE1 4.08Å; I2348-F2382 HydrophobicContact CG2-CZ 4.21Å |
| 2349 | H | 82.4 | Confident | 80.9 | Confident | 62 Ų | 62 | 48.6 Ų | 48.6 | 29% | 0.287 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.8 | -41 | 177.4 | -177.4 | -116.7 | 0 | 0 | 0 | 112.8 | Q2345 D2346 V2347 W2352 C2353 Y2397 | Q2345-H2349 VanDerWaalsContact O-CB 3.28Å; Q2345-H2349 WeakPolarHBondContact O-CB 3.42Å; Q2345-H2349 PolarHBondContact O-N 2.85Å; D2346-H2349 PolarHBondContact O-N 2.89Å; V2347-H2349 VanDerWaalsContact C-N 3.31Å; V2347-H2349 PolarHBondContact O-N 3.49Å; H2349-W2352 PolarHBondContact O-N 3.06Å; H2349-C2353 PolarHBondContact NE2-SG 3.15Å; H2349-C2353 VanDerWaalsContact NE2-SG 3.39Å; H2349-C2353 WeakPolarHBondContact O-CB 3.4Å; H2349-C2353 PolarHBondContact O-N 3.41Å; H2349-C2353 PolarHBondContact O-SG 3.43Å; H2349-Y2397 VanDerWaalsContact NE2-CB 3.35Å; H2349-Y2397 WeakPolarHBondContact NE2-CB 3.25Å |
| 2350 | Q | 83.7 | Confident | 81.2 | Confident | 74 Ų | 74 | 53 Ų | 53 | 35% | 0.346 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 174 | -76.1 | 175.3 | 57.4 | 0 | 0 | 112.1 | A2306 D2346 V2347 A2354 | A2306-Q2350 HydrophobicContact CB-CB 4.22Å; D2346-Q2350 WeakPolarHBondContact O-CG 3.38Å; D2346-Q2350 PolarHBondContact O-N 2.84Å; V2347-Q2350 PolarHBondContact O-N 3.15Å; Q2350-A2354 WeakPolarHBondContact O-CB 3.45Å; Q2350-A2354 PolarHBondContact O-N 2.86Å |
| 2351 | M | 88.3 | Confident | 81 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.9 | -45.2 | 173.7 | 179.1 | 54.2 | 74.8 | 0 | 0 | 111.7 | V2302 T2305 A2306 L2309 A2325 V2347 I2348 C2353 A2354 L2355 F2382 | V2302-M2351 HydrophobicContact CG1-CB 3.95Å; V2302-M2351 HydrophobicContact CG1-CE 3.97Å; V2302-M2351 HydrophobicContact CG1-CG 4.26Å; T2305-M2351 WeakPolarHBondContact OG1-CE 3.38Å; A2306-M2351 HydrophobicContact CB-CB 4.16Å; A2306-M2351 HydrophobicContact CB-CE 3.99Å; L2309-M2351 HydrophobicContact CD1-SD 4.18Å; A2325-M2351 HydrophobicContact CB-CE 4.04Å; A2325-M2351 HydrophobicContact CB-SD 4Å; V2347-M2351 PolarHBondContact O-N 2.92Å; I2348-M2351 PolarHBondContact O-N 3.29Å; M2351-C2353 PolarHBondContact O-N 3.47Å; M2351-A2354 WeakPolarHBondContact O-CB 3.45Å; M2351-A2354 PolarHBondContact O-N 3.03Å; M2351-A2354 VanDerWaalsContact O-N 3.15Å; M2351-L2355 HydrophobicContact CG-CD1 4.03Å; M2351-L2355 HydrophobicContact CG-CG 4.4Å; M2351-L2355 WeakPolarHBondContact O-CG 3.47Å; M2351-L2355 PolarHBondContact O-N 3.41Å; M2351-L2355 HydrophobicContact SD-CD1 3.93Å; M2351-L2355 HydrophobicContact SD-CD2 4.26Å; M2351-L2355 HydrophobicContact SD-CG 3.81Å; M2351-F2382 HydrophobicContact CB-CE1 4.33Å; M2351-F2382 HydrophobicContact CB-CZ 3.94Å; M2351-F2382 HydrophobicContact CG-CD2 4.29Å; M2351-F2382 HydrophobicContact CG-CE1 3.97Å; M2351-F2382 HydrophobicContact CG-CE2 3.73Å; M2351-F2382 HydrophobicContact CG-CZ 3.55Å |
| 2352 | W | 84.5 | Confident | 80.6 | Confident | 14 Ų | 14 | 52.7 Ų | 52.7 | 5% | 0.053 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.7 | -50.2 | 175.8 | -174.8 | -109.7 | 0 | 0 | 0 | 111.5 | I2348 H2349 A2354 L2355 L2356 L2379 F2382 A2383 I2388 | I2348-W2352 WeakPolarHBondContact O-CB 3.33Å; I2348-W2352 PolarHBondContact O-N 3.26Å; H2349-W2352 PolarHBondContact O-N 3.06Å; W2352-A2354 VanDerWaalsContact C-N 3.32Å; W2352-A2354 PolarHBondContact O-N 2.95Å; W2352-L2355 PolarHBondContact O-N 3.19Å; W2352-L2356 HydrophobicContact CG-CD1 4.41Å; W2352-L2356 WeakPolarHBondContact O-CB 3.06Å; W2352-L2356 VanDerWaalsContact O-CG 3.29Å; W2352-L2356 WeakPolarHBondContact O-CG 3.44Å; W2352-L2356 PolarHBondContact O-N 3.14Å; W2352-L2379 HydrophobicContact CE3-CD1 3.95Å; W2352-L2379 HydrophobicContact CH2-CD1 4.16Å; W2352-L2379 HydrophobicContact CZ3-CD1 3.74Å; W2352-F2382 HydrophobicContact CE3-CD1 4.08Å; W2352-A2383 HydrophobicContact CH2-CB 3.72Å; W2352-A2383 HydrophobicContact CZ3-CB 3.63Å; W2352-I2388 HydrophobicContact CH2-CB 4.06Å; W2352-I2388 HydrophobicContact CH2-CG2 3.63Å; W2352-I2388 HydrophobicContact CZ2-CB 4.38Å; W2352-I2388 HydrophobicContact CZ2-CG2 3.47Å; W2352-I2388 VanDerWaalsContact CZ2-CG2 3.47Å; W2352-I2388 HydrophobicContact CZ3-CB 4.46Å; W2352-I2388 HydrophobicContact CZ3-CG2 4.38Å |
| 2353 | C | 83.3 | Confident | 80.1 | Confident | 44 Ų | 44 | 50 Ų | 50 | 30% | 0.297 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.8 | -37.3 | 176.5 | -69.8 | 0 | 0 | 0 | 0 | 112.9 | H2349 M2351 R2357 | H2349-C2353 PolarHBondContact NE2-SG 3.15Å; H2349-C2353 VanDerWaalsContact NE2-SG 3.39Å; H2349-C2353 WeakPolarHBondContact O-CB 3.4Å; H2349-C2353 PolarHBondContact O-N 3.41Å; H2349-C2353 PolarHBondContact O-SG 3.43Å; M2351-C2353 PolarHBondContact O-N 3.47Å; C2353-R2357 WeakPolarHBondContact O-CB 3.33Å; C2353-R2357 PolarHBondContact O-N 3.23Å; C2353-R2357 VanDerWaalsContact O-N 3.09Å |
| 2354 | A | 85.8 | Confident | 79.4 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.2 | -48.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L2309 N2310 Q2350 M2351 W2352 R2357 E2358 | L2309-A2354 HydrophobicContact CB-CB 3.86Å; L2309-A2354 HydrophobicContact CD1-CB 4.32Å; N2310-A2354 WeakPolarHBondContact ND2-CB 3.3Å; Q2350-A2354 WeakPolarHBondContact O-CB 3.45Å; Q2350-A2354 PolarHBondContact O-N 2.86Å; M2351-A2354 WeakPolarHBondContact O-CB 3.45Å; M2351-A2354 PolarHBondContact O-N 3.03Å; M2351-A2354 VanDerWaalsContact O-N 3.15Å; W2352-A2354 VanDerWaalsContact C-N 3.32Å; W2352-A2354 PolarHBondContact O-N 2.95Å; A2354-R2357 WeakPolarHBondContact O-CB 3.49Å; A2354-R2357 PolarHBondContact O-N 3.49Å; A2354-E2358 PolarHBondContact O-N 3.29Å; A2354-E2358 VanDerWaalsContact O-N 3.16Å |
| 2355 | L | 87 | Confident | 78.2 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.5 | -41.3 | 179.9 | -66.9 | 176 | 0 | 0 | 0 | 111.7 | L2309 L2322 A2325 M2351 W2352 R2357 E2358 T2359 T2378 L2379 F2382 | L2309-L2355 HydrophobicContact CD1-CD2 4.16Å; L2322-L2355 HydrophobicContact CD2-CD2 3.89Å; A2325-L2355 HydrophobicContact CB-CD2 4.45Å; M2351-L2355 HydrophobicContact CG-CD1 4.03Å; M2351-L2355 HydrophobicContact CG-CG 4.4Å; M2351-L2355 WeakPolarHBondContact O-CG 3.47Å; M2351-L2355 PolarHBondContact O-N 3.41Å; M2351-L2355 HydrophobicContact SD-CD1 3.93Å; M2351-L2355 HydrophobicContact SD-CD2 4.26Å; M2351-L2355 HydrophobicContact SD-CG 3.81Å; W2352-L2355 PolarHBondContact O-N 3.19Å; L2355-R2357 VanDerWaalsContact C-N 3.31Å; L2355-R2357 PolarHBondContact O-N 3.32Å; L2355-E2358 PolarHBondContact O-N 2.97Å; L2355-T2359 PolarHBondContact O-N 3.03Å; L2355-T2378 HydrophobicContact CD1-CG2 4.04Å; L2355-T2378 HydrophobicContact CD2-CG2 3.52Å; L2355-T2378 HydrophobicContact CG-CG2 4.45Å; L2355-L2379 HydrophobicContact CB-CB 4.38Å; L2355-L2379 HydrophobicContact CB-CD1 3.83Å; L2355-F2382 HydrophobicContact CD1-CB 3.92Å; L2355-F2382 HydrophobicContact CD1-CD1 4.2Å; L2355-F2382 HydrophobicContact CD1-CG 3.97Å |
| 2356 | L | 82.8 | Confident | 77.1 | Confident | 40 Ų | 40 | 54.4 Ų | 54.4 | 21% | 0.209 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -55.8 | -46.1 | 171.9 | -73.9 | 178.4 | 0 | 0 | 0 | 111.6 | W2352 E2358 T2359 L2379 | W2352-L2356 HydrophobicContact CG-CD1 4.41Å; W2352-L2356 WeakPolarHBondContact O-CB 3.06Å; W2352-L2356 VanDerWaalsContact O-CG 3.29Å; W2352-L2356 WeakPolarHBondContact O-CG 3.44Å; W2352-L2356 PolarHBondContact O-N 3.14Å; L2356-E2358 PolarHBondContact O-N 3.45Å; L2356-T2359 PolarHBondContact O-N 3.45Å; L2356-T2359 PolarHBondContact O-OG1 3.43Å; L2356-L2379 HydrophobicContact CD2-CD1 4.16Å; L2356-L2379 HydrophobicContact CD2-CD2 3.98Å; L2356-L2379 HydrophobicContact CG-CD1 4.45Å |
| 2357 | R | 82 | Confident | 76.1 | Confident | 114 Ų | 114 | 50.1 Ų | 50.1 | 43% | 0.43 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.5 | -42.2 | 179.6 | -162.9 | -168 | -57.7 | -89.5 | 5.3 | 112.3 | N2310 C2353 A2354 L2355 T2359 Q2360 | N2310-R2357 PolarHBondContact OD1-NE 3.09Å; N2310-R2357 PolarHBondContact OD1-NH2 3.14Å; C2353-R2357 WeakPolarHBondContact O-CB 3.33Å; C2353-R2357 PolarHBondContact O-N 3.23Å; C2353-R2357 VanDerWaalsContact O-N 3.09Å; A2354-R2357 WeakPolarHBondContact O-CB 3.49Å; A2354-R2357 PolarHBondContact O-N 3.49Å; L2355-R2357 VanDerWaalsContact C-N 3.31Å; L2355-R2357 PolarHBondContact O-N 3.32Å; R2357-T2359 PolarHBondContact O-N 3.01Å; R2357-Q2360 WeakPolarHBondContact O-CB 3.37Å; R2357-Q2360 WeakPolarHBondContact O-CG 3.34Å; R2357-Q2360 PolarHBondContact O-N 3.39Å |
| 2358 | E | 84.5 | Confident | 75.6 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -78.5 | -11.4 | -177.7 | -64.2 | -64.7 | -178 | 0 | 0 | 114.6 | K2318 A2354 L2355 L2356 Q2360 R2363 Y2371 A2375 | K2318-E2358 WeakPolarHBondContact CE-OE1 3.45Å; K2318-E2358 IonicContact NZ-OE1 2.91Å; K2318-E2358 PolarHBondContact NZ-OE1 3.36Å; A2354-E2358 PolarHBondContact O-N 3.29Å; A2354-E2358 VanDerWaalsContact O-N 3.16Å; L2355-E2358 PolarHBondContact O-N 2.97Å; L2356-E2358 PolarHBondContact O-N 3.45Å; E2358-Q2360 PolarHBondContact O-N 2.96Å; E2358-R2363 IonicContact OE1-CZ 3.31Å; E2358-R2363 IonicContact OE1-NH1 2.82Å; E2358-R2363 PolarHBondContact OE1-NH1 3.19Å; E2358-R2363 WeakPolarHBondContact OE2-CB 3.41Å; E2358-R2363 VanDerWaalsContact OE2-CD 3.24Å; E2358-R2363 WeakPolarHBondContact OE2-CD 3.31Å; E2358-R2363 VanDerWaalsContact OE2-CG 3.26Å; E2358-R2363 WeakPolarHBondContact OE2-CG 3.19Å; E2358-R2363 IonicContact OE2-NH1 2.87Å; E2358-Y2371 HydrophobicContact CB-CE1 4.16Å; E2358-Y2371 HydrophobicContact CG-CE1 4.5Å; E2358-A2375 HydrophobicContact CB-CB 4.47Å |
| 2359 | T | 83.5 | Confident | 75 | Confident | 5 Ų | 5 | 57.4 Ų | 57.4 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -11.1 | 169 | 64.2 | 0 | 0 | 0 | 0 | 113.9 | L2355 L2356 R2357 Q2372 A2375 F2376 L2379 | L2355-T2359 PolarHBondContact O-N 3.03Å; L2356-T2359 PolarHBondContact O-N 3.45Å; L2356-T2359 PolarHBondContact O-OG1 3.43Å; R2357-T2359 PolarHBondContact O-N 3.01Å; T2359-Q2372 PolarHBondContact O-NE2 3.44Å; T2359-A2375 HydrophobicContact CG2-CB 4.5Å; T2359-F2376 HydrophobicContact CG2-CD1 3.84Å; T2359-F2376 HydrophobicContact CG2-CE1 3.98Å; T2359-F2376 HydrophobicContact CG2-CG 4.26Å; T2359-L2379 HydrophobicContact CG2-CB 4.39Å; T2359-L2379 HydrophobicContact CG2-CD2 3.77Å |
| 2360 | Q | 79.1 | Confident | 74.8 | Confident | 113 Ų | 113 | 55 Ų | 55 | 53% | 0.528 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -72.4 | 135.9 | -178.2 | -62.7 | -171.6 | 5.4 | 0 | 0 | 112.3 | R2357 E2358 R2362 R2363 | R2357-Q2360 WeakPolarHBondContact O-CB 3.37Å; R2357-Q2360 WeakPolarHBondContact O-CG 3.34Å; R2357-Q2360 PolarHBondContact O-N 3.39Å; E2358-Q2360 PolarHBondContact O-N 2.96Å; Q2360-R2362 VanDerWaalsContact C-N 3.29Å; Q2360-R2362 PolarHBondContact O-N 2.76Å; Q2360-R2363 PolarHBondContact O-N 3.31Å; Q2360-R2363 VanDerWaalsContact O-N 3.11Å |
| 2361 | S | 66.8 | Low | 74.8 | Confident | 74 Ų | 74 | 51.6 Ų | 51.6 | 52% | 0.517 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -56.2 | -38.9 | -176.9 | 50.7 | 0 | 0 | 0 | 0 | 113.7 | R2363 A2364 | S2361-R2363 VanDerWaalsContact C-N 3.26Å; S2361-R2363 PolarHBondContact O-N 2.94Å; S2361-A2364 WeakPolarHBondContact O-CB 3.28Å; S2361-A2364 PolarHBondContact O-N 3.46Å |
| 2362 | R | 67.3 | Low | 74.6 | Confident | 165 Ų | 165 | 52.7 Ų | 52.7 | 62% | 0.623 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -58 | -30.4 | 179.1 | -71.9 | -176.8 | 175.1 | 176.3 | -1.5 | 113.6 | Q2360 | Q2360-R2362 VanDerWaalsContact C-N 3.29Å; Q2360-R2362 PolarHBondContact O-N 2.76Å |
| 2363 | R | 63.8 | Low | 74.6 | Confident | 56 Ų | 56 | 52 Ų | 52 | 21% | 0.211 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -74.2 | -28.7 | 175.4 | -85 | -79.4 | 171.2 | 122.2 | -12.5 | 112.6 | E2358 Q2360 S2361 E2365 | E2358-R2363 IonicContact OE1-CZ 3.31Å; E2358-R2363 IonicContact OE1-NH1 2.82Å; E2358-R2363 PolarHBondContact OE1-NH1 3.19Å; E2358-R2363 WeakPolarHBondContact OE2-CB 3.41Å; E2358-R2363 VanDerWaalsContact OE2-CD 3.24Å; E2358-R2363 WeakPolarHBondContact OE2-CD 3.31Å; E2358-R2363 VanDerWaalsContact OE2-CG 3.26Å; E2358-R2363 WeakPolarHBondContact OE2-CG 3.19Å; E2358-R2363 IonicContact OE2-NH1 2.87Å; Q2360-R2363 PolarHBondContact O-N 3.31Å; Q2360-R2363 VanDerWaalsContact O-N 3.11Å; S2361-R2363 VanDerWaalsContact C-N 3.26Å; S2361-R2363 PolarHBondContact O-N 2.94Å; R2363-E2365 VanDerWaalsContact C-N 3.34Å; R2363-E2365 PolarHBondContact O-N 3.28Å |
| 2364 | A | 58.1 | Low | 74.9 | Confident | 8 Ų | 8 | 50 Ų | 50 | 7% | 0.066 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -79.1 | -11.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S2361 G2366 I2367 K2368 Q2372 | S2361-A2364 WeakPolarHBondContact O-CB 3.28Å; S2361-A2364 PolarHBondContact O-N 3.46Å; A2364-G2366 PolarHBondContact O-N 2.63Å; A2364-G2366 VanDerWaalsContact O-N 3.17Å; A2364-I2367 PolarHBondContact O-N 3.23Å; A2364-K2368 PolarHBondContact O-N 3.25Å; A2364-Q2372 HydrophobicContact CB-CB 4.05Å; A2364-Q2372 HydrophobicContact CB-CG 4.45Å |
| 2365 | E | 54 | Low | 75 | Confident | 162 Ų | 162 | 50 Ų | 50 | 76% | 0.757 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -17.5 | -173.1 | -62.2 | -172.4 | 143.8 | 0 | 0 | 113.8 | R2363 | R2363-E2365 VanDerWaalsContact C-N 3.34Å; R2363-E2365 PolarHBondContact O-N 3.28Å |
| 2366 | G | 57.4 | Low | 75.2 | Confident | 69 Ų | 69 | 49.9 Ų | 49.9 | 71% | 0.711 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -30 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | A2364 | A2364-G2366 PolarHBondContact O-N 2.63Å; A2364-G2366 VanDerWaalsContact O-N 3.17Å |
| 2367 | I | 59.1 | Low | 75.6 | Confident | 25 Ų | 25 | 48.7 Ų | 48.7 | 13% | 0.128 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | -10.9 | -166 | -51 | 169.6 | 0 | 0 | 0 | 113.1 | P2314 W2315 A2364 Y2371 | P2314-I2367 HydrophobicContact CB-CD1 3.87Å; P2314-I2367 HydrophobicContact CB-CG1 4.41Å; W2315-I2367 WeakPolarHBondContact O-CD1 3.43Å; A2364-I2367 PolarHBondContact O-N 3.23Å; I2367-Y2371 HydrophobicContact CB-CD2 4.37Å; I2367-Y2371 HydrophobicContact CB-CG 4.16Å; I2367-Y2371 HydrophobicContact CD1-CD1 4.31Å; I2367-Y2371 HydrophobicContact CD1-CD2 3.69Å; I2367-Y2371 HydrophobicContact CD1-CE1 4.44Å; I2367-Y2371 HydrophobicContact CD1-CE2 3.87Å; I2367-Y2371 HydrophobicContact CD1-CG 3.95Å; I2367-Y2371 HydrophobicContact CG2-CD2 3.97Å; I2367-Y2371 HydrophobicContact CG2-CG 4.12Å |
| 2368 | K | 70.6 | Confident | 76 | Confident | 164 Ų | 164 | 43.2 Ų | 43.2 | 71% | 0.713 | 22% | 0.224 | S | C | * | . | trans | 81.4 | 163.2 | -167.2 | -47.8 | 160.2 | -174.3 | 171.1 | 0 | 113.1 | A2364 G2370 Y2371 | A2364-K2368 PolarHBondContact O-N 3.25Å; K2368-G2370 VanDerWaalsContact C-N 3.26Å; K2368-G2370 PolarHBondContact O-N 3.29Å; K2368-Y2371 WeakPolarHBondContact O-CB 3.47Å; K2368-Y2371 PolarHBondContact O-N 3.23Å; K2368-Y2371 VanDerWaalsContact O-N 3.16Å | ||
| 2369 | S | 72.1 | Confident | 76.2 | Confident | 14 Ų | 14 | 43.2 Ų | 43.2 | 10% | 0.098 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.8 | -23.5 | -177.2 | 33.7 | 0 | 0 | 0 | 0 | 115.7 | Y2371 Q2372 A2373 K2452 | S2369-Y2371 PolarHBondContact O-N 2.7Å; S2369-Q2372 WeakPolarHBondContact O-CB 3.45Å; S2369-Q2372 PolarHBondContact O-N 3.4Å; S2369-Q2372 VanDerWaalsContact O-N 3.11Å; S2369-A2373 PolarHBondContact O-N 3.3Å; S2369-K2452 VanDerWaalsContact OG-CB 3.32Å; S2369-K2452 WeakPolarHBondContact OG-CB 3.33Å; S2369-K2452 PolarHBondContact OG-O 3.05Å |
| 2370 | G | 76.8 | Confident | 76.4 | Confident | 11 Ų | 11 | 43 Ų | 43 | 11% | 0.113 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59 | -34.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K2368 Q2372 A2373 E2374 E2457 | K2368-G2370 VanDerWaalsContact C-N 3.26Å; K2368-G2370 PolarHBondContact O-N 3.29Å; G2370-Q2372 VanDerWaalsContact C-N 3.33Å; G2370-Q2372 PolarHBondContact O-N 3.4Å; G2370-A2373 PolarHBondContact O-N 2.96Å; G2370-E2374 PolarHBondContact O-N 3.29Å; G2370-E2457 VanDerWaalsContact CA-CD 3.41Å; G2370-E2457 WeakPolarHBondContact CA-OE1 3.32Å |
| 2371 | Y | 83.7 | Confident | 76.7 | Confident | 3 Ų | 3 | 38.1 Ų | 38.1 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.9 | -45.7 | 173 | -175.3 | -96.3 | 0 | 0 | 0 | 111.5 | K2318 V2319 L2322 E2358 I2367 K2368 S2369 A2373 E2374 A2375 | K2318-Y2371 HydrophobicContact CB-CE2 4Å; K2318-Y2371 HydrophobicContact CG-CE2 4.37Å; V2319-Y2371 HydrophobicContact CG2-CD2 3.68Å; V2319-Y2371 HydrophobicContact CG2-CE2 4.31Å; L2322-Y2371 HydrophobicContact CD1-CD2 3.98Å; L2322-Y2371 HydrophobicContact CD1-CE1 4.13Å; L2322-Y2371 HydrophobicContact CD1-CE2 3.48Å; L2322-Y2371 VanDerWaalsContact CD1-CE2 3.48Å; L2322-Y2371 HydrophobicContact CD1-CG 4.46Å; L2322-Y2371 HydrophobicContact CG-CE2 4.28Å; E2358-Y2371 HydrophobicContact CB-CE1 4.16Å; E2358-Y2371 HydrophobicContact CG-CE1 4.5Å; I2367-Y2371 HydrophobicContact CB-CD2 4.37Å; I2367-Y2371 HydrophobicContact CB-CG 4.16Å; I2367-Y2371 HydrophobicContact CD1-CD1 4.31Å; I2367-Y2371 HydrophobicContact CD1-CD2 3.69Å; I2367-Y2371 HydrophobicContact CD1-CE1 4.44Å; I2367-Y2371 HydrophobicContact CD1-CE2 3.87Å; I2367-Y2371 HydrophobicContact CD1-CG 3.95Å; I2367-Y2371 HydrophobicContact CG2-CD2 3.97Å; I2367-Y2371 HydrophobicContact CG2-CG 4.12Å; K2368-Y2371 WeakPolarHBondContact O-CB 3.47Å; K2368-Y2371 PolarHBondContact O-N 3.23Å; K2368-Y2371 VanDerWaalsContact O-N 3.16Å; S2369-Y2371 PolarHBondContact O-N 2.7Å; Y2371-A2373 VanDerWaalsContact C-N 3.32Å; Y2371-A2373 PolarHBondContact O-N 2.73Å; Y2371-E2374 PolarHBondContact O-N 3.03Å; Y2371-A2375 WeakPolarHBondContact O-CB 3.13Å; Y2371-A2375 PolarHBondContact O-N 3.28Å |
| 2372 | Q | 84.8 | Confident | 77.6 | Confident | 23 Ų | 23 | 34.8 Ų | 34.8 | 11% | 0.107 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.1 | -33.6 | 179.5 | -154 | -176.7 | 4.9 | 0 | 0 | 111.8 | T2359 A2364 S2369 G2370 A2375 F2376 L2426 | T2359-Q2372 PolarHBondContact O-NE2 3.44Å; A2364-Q2372 HydrophobicContact CB-CB 4.05Å; A2364-Q2372 HydrophobicContact CB-CG 4.45Å; S2369-Q2372 WeakPolarHBondContact O-CB 3.45Å; S2369-Q2372 PolarHBondContact O-N 3.4Å; S2369-Q2372 VanDerWaalsContact O-N 3.11Å; G2370-Q2372 VanDerWaalsContact C-N 3.33Å; G2370-Q2372 PolarHBondContact O-N 3.4Å; Q2372-A2375 PolarHBondContact O-N 2.94Å; Q2372-F2376 HydrophobicContact CG-CD2 4.11Å; Q2372-F2376 HydrophobicContact CG-CE2 3.87Å; Q2372-F2376 WeakPolarHBondContact O-CD2 3.36Å; Q2372-F2376 PolarHBondContact O-N 3.01Å; Q2372-L2426 HydrophobicContact CB-CD2 4.16Å; Q2372-L2426 HydrophobicContact CG-CD2 4.25Å |
| 2373 | A | 85.2 | Confident | 78.3 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.1 | -45.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S2369 G2370 Y2371 A2375 F2376 L2377 L2453 E2457 A2461 | S2369-A2373 PolarHBondContact O-N 3.3Å; G2370-A2373 PolarHBondContact O-N 2.96Å; Y2371-A2373 VanDerWaalsContact C-N 3.32Å; Y2371-A2373 PolarHBondContact O-N 2.73Å; A2373-A2375 VanDerWaalsContact C-N 3.34Å; A2373-F2376 PolarHBondContact O-N 3.38Å; A2373-L2377 PolarHBondContact O-N 3.15Å; A2373-L2453 HydrophobicContact CB-CD2 4.25Å; A2373-E2457 HydrophobicContact CB-CB 4.49Å; A2373-A2461 HydrophobicContact CB-CB 4.1Å |
| 2374 | E | 88 | Confident | 79.2 | Confident | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.009 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.1 | -38.5 | 172.2 | -172.8 | 96.9 | -122.3 | 0 | 0 | 110.3 | L2322 R2323 R2326 G2370 Y2371 F2376 L2377 T2378 Q2460 | L2322-E2374 HydrophobicContact CB-CG 4.18Å; R2323-E2374 VanDerWaalsContact CG-CD 3.47Å; R2323-E2374 HydrophobicContact CG-CG 4.1Å; R2323-E2374 WeakPolarHBondContact CG-OE2 3.41Å; R2323-E2374 IonicContact CZ-OE2 2.75Å; R2323-E2374 IonicContact NE-OE2 3.31Å; R2323-E2374 PolarHBondContact NE-OE2 2.83Å; R2323-E2374 IonicContact NH2-OE2 3.07Å; R2326-E2374 IonicContact CZ-OE1 2.81Å; R2326-E2374 IonicContact NE-OE1 3.98Å; R2326-E2374 PolarHBondContact NE-OE1 2.98Å; R2326-E2374 IonicContact NH2-OE1 2.79Å; R2326-E2374 PolarHBondContact NH2-OE1 2.88Å; G2370-E2374 PolarHBondContact O-N 3.29Å; Y2371-E2374 PolarHBondContact O-N 3.03Å; E2374-F2376 PolarHBondContact O-N 2.91Å; E2374-L2377 PolarHBondContact O-N 2.75Å; E2374-T2378 WeakPolarHBondContact O-CB 3.43Å; E2374-T2378 PolarHBondContact O-N 3.03Å; E2374-T2378 PolarHBondContact O-OG1 3.25Å; E2374-T2378 VanDerWaalsContact O-OG1 3.14Å; E2374-Q2460 PolarHBondContact OE1-NE2 2.74Å; E2374-Q2460 PolarHBondContact OE2-NE2 3.08Å |
| 2375 | A | 88.6 | Confident | 80.3 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.8 | -44.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | L2322 E2358 T2359 Y2371 Q2372 A2373 T2378 L2379 | L2322-A2375 HydrophobicContact CD1-CB 3.82Å; L2322-A2375 HydrophobicContact CD2-CB 4.36Å; E2358-A2375 HydrophobicContact CB-CB 4.47Å; T2359-A2375 HydrophobicContact CG2-CB 4.5Å; Y2371-A2375 WeakPolarHBondContact O-CB 3.13Å; Y2371-A2375 PolarHBondContact O-N 3.28Å; Q2372-A2375 PolarHBondContact O-N 2.94Å; A2373-A2375 VanDerWaalsContact C-N 3.34Å; A2375-T2378 PolarHBondContact O-N 2.71Å; A2375-L2379 WeakPolarHBondContact O-CB 3.47Å; A2375-L2379 PolarHBondContact O-N 2.69Å |
| 2376 | F | 90.9 | Very high | 81.4 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.3 | -41.6 | 173.1 | -85.1 | -63.9 | 0 | 0 | 0 | 112 | T2359 Q2372 A2373 E2374 A2380 R2419 K2422 L2423 L2426 A2464 M2468 | T2359-F2376 HydrophobicContact CG2-CD1 3.84Å; T2359-F2376 HydrophobicContact CG2-CE1 3.98Å; T2359-F2376 HydrophobicContact CG2-CG 4.26Å; Q2372-F2376 HydrophobicContact CG-CD2 4.11Å; Q2372-F2376 HydrophobicContact CG-CE2 3.87Å; Q2372-F2376 WeakPolarHBondContact O-CD2 3.36Å; Q2372-F2376 PolarHBondContact O-N 3.01Å; A2373-F2376 PolarHBondContact O-N 3.38Å; E2374-F2376 PolarHBondContact O-N 2.91Å; F2376-A2380 VanDerWaalsContact O-CB 3.31Å; F2376-A2380 WeakPolarHBondContact O-CB 3.16Å; F2376-A2380 PolarHBondContact O-N 3Å; F2376-R2419 HydrophobicContact CE1-CB 4.49Å; F2376-K2422 HydrophobicContact CZ-CB 4.02Å; F2376-L2423 HydrophobicContact CB-CD1 4.12Å; F2376-L2423 HydrophobicContact CD1-CB 4.23Å; F2376-L2423 HydrophobicContact CD2-CB 4.47Å; F2376-L2423 HydrophobicContact CD2-CD1 3.86Å; F2376-L2423 HydrophobicContact CE1-CB 4.15Å; F2376-L2423 HydrophobicContact CE2-CB 4.39Å; F2376-L2423 HydrophobicContact CE2-CD1 4.42Å; F2376-L2423 HydrophobicContact CG-CB 4.42Å; F2376-L2423 HydrophobicContact CG-CD1 3.96Å; F2376-L2423 HydrophobicContact CZ-CB 4.24Å; F2376-L2426 HydrophobicContact CD2-CD2 3.8Å; F2376-L2426 HydrophobicContact CE2-CD2 3.96Å; F2376-A2464 HydrophobicContact CB-CB 4.27Å; F2376-M2468 HydrophobicContact CD1-SD 4.18Å |
| 2377 | L | 90.9 | Very high | 82.2 | Confident | 14 Ų | 14 | 18.8 Ų | 18.8 | 7% | 0.073 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.1 | -44 | 177.7 | -177.6 | 62.7 | 0 | 0 | 0 | 111.9 | A2373 E2374 A2380 S2381 Q2460 R2463 A2464 I2467 | A2373-L2377 PolarHBondContact O-N 3.15Å; E2374-L2377 PolarHBondContact O-N 2.75Å; L2377-A2380 WeakPolarHBondContact O-CB 3.43Å; L2377-A2380 PolarHBondContact O-N 2.9Å; L2377-S2381 PolarHBondContact O-N 3.49Å; L2377-S2381 PolarHBondContact O-OG 3.37Å; L2377-S2381 VanDerWaalsContact O-OG 3.04Å; L2377-Q2460 HydrophobicContact CD2-CB 3.98Å; L2377-Q2460 HydrophobicContact CD2-CG 3.97Å; L2377-R2463 HydrophobicContact CD1-CB 4.01Å; L2377-A2464 HydrophobicContact CB-CB 4.35Å; L2377-A2464 HydrophobicContact CD1-CB 4.32Å; L2377-I2467 HydrophobicContact CD1-CD1 3.9Å |
| 2378 | T | 90 | Very high | 83 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.9 | -48.4 | 176.3 | -65.7 | 0 | 0 | 0 | 0 | 111.4 | L2322 A2325 R2326 L2355 E2374 A2375 A2380 S2381 F2382 | L2322-T2378 VanDerWaalsContact O-CG2 3.25Å; L2322-T2378 WeakPolarHBondContact O-CG2 3.44Å; L2322-T2378 PolarHBondContact O-OG1 3.37Å; A2325-T2378 HydrophobicContact CB-CG2 3.89Å; R2326-T2378 HydrophobicContact CB-CG2 4.04Å; L2355-T2378 HydrophobicContact CD1-CG2 4.04Å; L2355-T2378 HydrophobicContact CD2-CG2 3.52Å; L2355-T2378 HydrophobicContact CG-CG2 4.45Å; E2374-T2378 WeakPolarHBondContact O-CB 3.43Å; E2374-T2378 PolarHBondContact O-N 3.03Å; E2374-T2378 PolarHBondContact O-OG1 3.25Å; E2374-T2378 VanDerWaalsContact O-OG1 3.14Å; A2375-T2378 PolarHBondContact O-N 2.71Å; T2378-A2380 VanDerWaalsContact C-N 3.29Å; T2378-A2380 PolarHBondContact O-N 3.37Å; T2378-S2381 WeakPolarHBondContact CA-OG 3.48Å; T2378-S2381 PolarHBondContact O-N 2.85Å; T2378-S2381 PolarHBondContact O-OG 3.13Å; T2378-F2382 WeakPolarHBondContact O-CB 2.99Å; T2378-F2382 PolarHBondContact O-N 3.19Å |
| 2379 | L | 90 | Very high | 83.2 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -57.7 | -43.1 | 175 | 179.2 | 67.9 | 0 | 0 | 0 | 111.1 | W2352 L2355 L2356 T2359 A2375 F2382 A2383 | W2352-L2379 HydrophobicContact CE3-CD1 3.95Å; W2352-L2379 HydrophobicContact CH2-CD1 4.16Å; W2352-L2379 HydrophobicContact CZ3-CD1 3.74Å; L2355-L2379 HydrophobicContact CB-CB 4.38Å; L2355-L2379 HydrophobicContact CB-CD1 3.83Å; L2356-L2379 HydrophobicContact CD2-CD1 4.16Å; L2356-L2379 HydrophobicContact CD2-CD2 3.98Å; L2356-L2379 HydrophobicContact CG-CD1 4.45Å; T2359-L2379 HydrophobicContact CG2-CB 4.39Å; T2359-L2379 HydrophobicContact CG2-CD2 3.77Å; A2375-L2379 WeakPolarHBondContact O-CB 3.47Å; A2375-L2379 PolarHBondContact O-N 2.69Å; L2379-F2382 PolarHBondContact O-N 3.15Å; L2379-A2383 VanDerWaalsContact O-CB 3.26Å; L2379-A2383 WeakPolarHBondContact O-CB 3.3Å; L2379-A2383 PolarHBondContact O-N 3.15Å |
| 2380 | A | 87 | Confident | 83.5 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61 | -49.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F2376 L2377 T2378 F2382 A2383 E2384 A2464 I2467 M2468 | F2376-A2380 VanDerWaalsContact O-CB 3.31Å; F2376-A2380 WeakPolarHBondContact O-CB 3.16Å; F2376-A2380 PolarHBondContact O-N 3Å; L2377-A2380 WeakPolarHBondContact O-CB 3.43Å; L2377-A2380 PolarHBondContact O-N 2.9Å; T2378-A2380 VanDerWaalsContact C-N 3.29Å; T2378-A2380 PolarHBondContact O-N 3.37Å; A2380-F2382 VanDerWaalsContact C-N 3.34Å; A2380-F2382 PolarHBondContact O-N 3.27Å; A2380-A2383 PolarHBondContact O-N 3.08Å; A2380-E2384 PolarHBondContact O-N 3.22Å; A2380-A2464 HydrophobicContact CB-CB 4.38Å; A2380-I2467 VanDerWaalsContact C-CG2 3.45Å; A2380-I2467 HydrophobicContact CB-CB 3.84Å; A2380-I2467 HydrophobicContact CB-CG2 3.65Å; A2380-I2467 WeakPolarHBondContact O-CG2 3.41Å; A2380-M2468 HydrophobicContact CB-CG 3.5Å; A2380-M2468 VanDerWaalsContact CB-CG 3.5Å |
| 2381 | S | 85.2 | Confident | 83.4 | Confident | 11 Ų | 11 | 12.7 Ų | 12.7 | 8% | 0.077 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.3 | -36.9 | 178 | 45.8 | 0 | 0 | 0 | 0 | 113.2 | R2326 L2377 T2378 A2385 | R2326-S2381 WeakPolarHBondContact CD-OG 3.33Å; R2326-S2381 VanDerWaalsContact CG-OG 3.31Å; R2326-S2381 WeakPolarHBondContact CG-OG 3.2Å; L2377-S2381 PolarHBondContact O-N 3.49Å; L2377-S2381 PolarHBondContact O-OG 3.37Å; L2377-S2381 VanDerWaalsContact O-OG 3.04Å; T2378-S2381 WeakPolarHBondContact CA-OG 3.48Å; T2378-S2381 PolarHBondContact O-N 2.85Å; T2378-S2381 PolarHBondContact O-OG 3.13Å; S2381-A2385 PolarHBondContact O-N 2.89Å |
| 2382 | F | 85.7 | Confident | 82.5 | Confident | 3 Ų | 3 | 14.3 Ų | 14.3 | 1% | 0.013 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -74.2 | -35 | 178.9 | -165.6 | -91.6 | 0 | 0 | 0 | 111.9 | I2348 M2351 W2352 L2355 T2378 L2379 A2380 A2385 C2386 | I2348-F2382 HydrophobicContact CG2-CE1 4.08Å; I2348-F2382 HydrophobicContact CG2-CZ 4.21Å; M2351-F2382 HydrophobicContact CB-CE1 4.33Å; M2351-F2382 HydrophobicContact CB-CZ 3.94Å; M2351-F2382 HydrophobicContact CG-CD2 4.29Å; M2351-F2382 HydrophobicContact CG-CE1 3.97Å; M2351-F2382 HydrophobicContact CG-CE2 3.73Å; M2351-F2382 HydrophobicContact CG-CZ 3.55Å; W2352-F2382 HydrophobicContact CE3-CD1 4.08Å; L2355-F2382 HydrophobicContact CD1-CB 3.92Å; L2355-F2382 HydrophobicContact CD1-CD1 4.2Å; L2355-F2382 HydrophobicContact CD1-CG 3.97Å; T2378-F2382 WeakPolarHBondContact O-CB 2.99Å; T2378-F2382 PolarHBondContact O-N 3.19Å; L2379-F2382 PolarHBondContact O-N 3.15Å; A2380-F2382 VanDerWaalsContact C-N 3.34Å; A2380-F2382 PolarHBondContact O-N 3.27Å; F2382-A2385 PolarHBondContact O-N 3.46Å; F2382-C2386 PolarHBondContact O-N 3.24Å; F2382-C2386 PolarHBondContact O-SG 2.99Å |
| 2383 | A | 83.1 | Confident | 81.2 | Confident | 3 Ų | 3 | 16.3 Ų | 16.3 | 3% | 0.025 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.8 | -43.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | W2352 L2379 A2380 A2385 C2386 G2387 I2388 A2390 | W2352-A2383 HydrophobicContact CH2-CB 3.72Å; W2352-A2383 HydrophobicContact CZ3-CB 3.63Å; L2379-A2383 VanDerWaalsContact O-CB 3.26Å; L2379-A2383 WeakPolarHBondContact O-CB 3.3Å; L2379-A2383 PolarHBondContact O-N 3.15Å; A2380-A2383 PolarHBondContact O-N 3.08Å; A2383-A2385 VanDerWaalsContact C-N 3.32Å; A2383-A2385 PolarHBondContact O-N 3.49Å; A2383-C2386 PolarHBondContact O-N 3.16Å; A2383-G2387 PolarHBondContact O-N 3.49Å; A2383-I2388 PolarHBondContact O-N 3.26Å; A2383-A2390 HydrophobicContact CB-CB 3.75Å |
| 2384 | E | 81.9 | Confident | 79.4 | Confident | 40 Ų | 40 | 23.3 Ų | 23.3 | 19% | 0.187 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.6 | -37.2 | 175.7 | -178.4 | 158.7 | -98.2 | 0 | 0 | 112 | A2380 I2467 K2513 | A2380-E2384 PolarHBondContact O-N 3.22Å; E2384-I2467 HydrophobicContact CB-CG2 4.07Å; E2384-K2513 WeakPolarHBondContact OE1-CE 3.27Å; E2384-K2513 IonicContact OE1-NZ 3.99Å; E2384-K2513 PolarHBondContact OE1-NZ 2.65Å |
| 2385 | A | 80.2 | Confident | 77.5 | Confident | 12 Ų | 12 | 26.1 Ų | 26.1 | 10% | 0.099 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.4 | -51.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A2332 L2333 I2339 S2381 F2382 A2383 G2387 | A2332-A2385 HydrophobicContact CB-CB 4.49Å; L2333-A2385 HydrophobicContact CD1-CB 4.2Å; L2333-A2385 HydrophobicContact CD2-CB 4.38Å; L2333-A2385 HydrophobicContact CG-CB 3.73Å; I2339-A2385 HydrophobicContact CD1-CB 4.28Å; I2339-A2385 WeakPolarHBondContact CD1-O 3.21Å; S2381-A2385 PolarHBondContact O-N 2.89Å; F2382-A2385 PolarHBondContact O-N 3.46Å; A2383-A2385 VanDerWaalsContact C-N 3.32Å; A2383-A2385 PolarHBondContact O-N 3.49Å; A2385-G2387 PolarHBondContact O-N 2.85Å |
| 2386 | C | 78 | Confident | 75.4 | Confident | 24 Ų | 24 | 31 Ų | 31 | 16% | 0.162 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -76.6 | -6.2 | -176.8 | -57.8 | 0 | 0 | 0 | 0 | 114 | I2339 F2382 A2383 I2388 | I2339-C2386 HydrophobicContact CG2-CB 4.5Å; F2382-C2386 PolarHBondContact O-N 3.24Å; F2382-C2386 PolarHBondContact O-SG 2.99Å; A2383-C2386 PolarHBondContact O-N 3.16Å; C2386-I2388 HydrophobicContact CB-CB 4.46Å; C2386-I2388 HydrophobicContact CB-CD1 3.61Å; C2386-I2388 HydrophobicContact CB-CG1 3.74Å; C2386-I2388 PolarHBondContact O-N 2.94Å |
| 2387 | G | 74.9 | Confident | 73.1 | Confident | 45 Ų | 45 | 37 Ų | 37 | 46% | 0.464 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 16.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | A2383 A2385 | A2383-G2387 PolarHBondContact O-N 3.49Å; A2385-G2387 PolarHBondContact O-N 2.85Å |
| 2388 | I | 76.2 | Confident | 70.6 | Confident | 45 Ų | 45 | 40.4 Ų | 40.4 | 23% | 0.231 | 24% | 0.236 | C | C | . | . | trans | -91.7 | 147.2 | -173.1 | -59.5 | 174.1 | 0 | 0 | 0 | 110.6 | W2352 A2383 C2386 A2390 | W2352-I2388 HydrophobicContact CH2-CB 4.06Å; W2352-I2388 HydrophobicContact CH2-CG2 3.63Å; W2352-I2388 HydrophobicContact CZ2-CB 4.38Å; W2352-I2388 HydrophobicContact CZ2-CG2 3.47Å; W2352-I2388 VanDerWaalsContact CZ2-CG2 3.47Å; W2352-I2388 HydrophobicContact CZ3-CB 4.46Å; W2352-I2388 HydrophobicContact CZ3-CG2 4.38Å; A2383-I2388 PolarHBondContact O-N 3.26Å; C2386-I2388 HydrophobicContact CB-CB 4.46Å; C2386-I2388 HydrophobicContact CB-CD1 3.61Å; C2386-I2388 HydrophobicContact CB-CG1 3.74Å; C2386-I2388 PolarHBondContact O-N 2.94Å; I2388-A2390 PolarHBondContact O-N 3.25Å | ||
| 2389 | D | 73.8 | Confident | 67.9 | Low | 35 Ų | 35 | 46.1 Ų | 46.1 | 19% | 0.187 | 27% | 0.271 | C | S | . | . | trans | -75.9 | 115.7 | 174.3 | -164.3 | -34.2 | 0 | 0 | 0 | 111.6 | I2391 P2470 H2477 | D2389-I2391 VanDerWaalsContact C-N 3.33Å; D2389-I2391 PolarHBondContact O-N 2.96Å; D2389-I2391 VanDerWaalsContact OD1-CB 3.31Å; D2389-I2391 WeakPolarHBondContact OD1-CB 3.49Å; D2389-I2391 PolarHBondContact OD1-N 3.48Å; D2389-P2470 WeakPolarHBondContact OD2-CB 3.38Å; D2389-H2477 IonicContact OD2-CE1 3.56Å; D2389-H2477 PolarHBondContact OD2-CE1 3.21Å; D2389-H2477 IonicContact OD2-ND1 2.91Å | ||
| 2390 | A | 77.6 | Confident | 65.1 | Low | 2 Ų | 2 | 51.3 Ų | 51.3 | 2% | 0.017 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -76.5 | -13.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | A2383 I2388 R2419 M2468 | A2383-A2390 HydrophobicContact CB-CB 3.75Å; I2388-A2390 PolarHBondContact O-N 3.25Å; A2390-R2419 VanDerWaalsContact O-CZ 3.26Å; A2390-R2419 PolarHBondContact O-NE 2.86Å; A2390-R2419 PolarHBondContact O-NH2 2.9Å; A2390-M2468 HydrophobicContact CB-CB 4.28Å; A2390-M2468 HydrophobicContact CB-CE 3.95Å; A2390-M2468 HydrophobicContact CB-CG 4.07Å |
| 2391 | I | 75.3 | Confident | 62.5 | Low | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -83.3 | -46.6 | -170.3 | -57.9 | -177.2 | 0 | 0 | 0 | 112.2 | D2389 D2418 R2419 L2420 P2470 | D2389-I2391 VanDerWaalsContact C-N 3.33Å; D2389-I2391 PolarHBondContact O-N 2.96Å; D2389-I2391 VanDerWaalsContact OD1-CB 3.31Å; D2389-I2391 WeakPolarHBondContact OD1-CB 3.49Å; D2389-I2391 PolarHBondContact OD1-N 3.48Å; I2391-D2418 HydrophobicContact CG2-CB 4.15Å; I2391-R2419 PolarHBondContact O-N 2.88Å; I2391-L2420 HydrophobicContact CD1-CB 4.37Å; I2391-L2420 HydrophobicContact CD1-CD2 3.92Å; I2391-L2420 HydrophobicContact CG1-CB 4.22Å; I2391-L2420 HydrophobicContact CG2-CB 4.11Å; I2391-P2470 HydrophobicContact CD1-CG 4.24Å |
| 2392 | A | 65.8 | Low | 59.7 | Low | 38 Ų | 38 | 61.7 Ų | 61.7 | 31% | 0.314 | 38% | 0.377 | S | S | . | . | trans | -72.8 | 126.4 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N2394 R2419 | A2392-N2394 VanDerWaalsContact C-N 3.28Å; A2392-N2394 PolarHBondContact O-N 3.39Å; A2392-R2419 VanDerWaalsContact O-CZ 3.27Å; A2392-R2419 PolarHBondContact O-NH1 3.43Å; A2392-R2419 VanDerWaalsContact O-NH1 3.09Å; A2392-R2419 PolarHBondContact O-NH2 3.44Å | ||
| 2393 | D | 56.6 | Low | 56.9 | Low | 65 Ų | 65 | 69 Ų | 69 | 35% | 0.348 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -71.9 | -21 | 174.1 | -79.8 | -29.7 | 0 | 0 | 0 | 113.1 | R2419 K2422 | D2393-R2419 WeakPolarHBondContact OD1-CG 3.48Å; D2393-R2419 IonicContact OD1-CZ 3.37Å; D2393-R2419 IonicContact OD1-NH1 2.69Å; D2393-R2419 PolarHBondContact OD1-NH1 2.68Å; D2393-K2422 IonicContact OD1-NZ 2.85Å; D2393-K2422 PolarHBondContact OD1-NZ 3.29Å; D2393-K2422 IonicContact OD2-NZ 3.07Å; D2393-K2422 PolarHBondContact OD2-NZ 3.44Å |
| 2394 | N | 47.5 | Very low | 54.2 | Low | 146 Ų | 146 | 76.4 Ų | 76.4 | 78% | 0.781 | 45% | 0.454 | S | S | * | . | trans | -99.1 | 113.2 | 175.9 | -62.2 | -18.8 | 0 | 0 | 0 | 111.2 | A2392 | A2392-N2394 VanDerWaalsContact C-N 3.28Å; A2392-N2394 PolarHBondContact O-N 3.39Å | ||
| 2395 | H | 48.5 | Very low | 51.3 | Low | 62 Ų | 62 | 84.2 Ų | 84.2 | 29% | 0.287 | 49% | 0.491 | S | S | . | . | trans | -132.7 | 142.1 | 170.2 | -152.8 | -92.5 | 0 | 0 | 0 | 109.6 | Y2397 S2398 | H2395-Y2397 AromaticContact ND1-CD2 3.79Å; H2395-Y2397 PolarHBondContact O-N 3.11Å; H2395-S2398 WeakPolarHBondContact O-CB 3.48Å; H2395-S2398 PolarHBondContact O-N 3.39Å; H2395-S2398 PolarHBondContact O-OG 3.41Å | ||
| 2396 | P | 43.6 | Very low | 48.6 | Very low | 101 Ų | 101 | 91.6 Ų | 91.6 | 66% | 0.656 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -60.9 | -7.3 | -169.5 | 18.9 | -33.7 | 0 | 0 | 0 | 117.6 | S2398 T2399 | P2396-S2398 VanDerWaalsContact C-N 3.33Å; P2396-T2399 PolarHBondContact O-OG1 3.29Å |
| 2397 | Y | 43 | Very low | 45.9 | Very low | 128 Ų | 128 | 95.3 Ų | 95.3 | 50% | 0.502 | 55% | 0.55 | S | S | . | . | G | 310 helix | trans | -82 | -8.4 | 172 | -63 | -63 | 0 | 0 | 0 | 113.9 | H2349 H2395 T2399 | H2349-Y2397 VanDerWaalsContact NE2-CB 3.35Å; H2349-Y2397 WeakPolarHBondContact NE2-CB 3.25Å; H2395-Y2397 AromaticContact ND1-CD2 3.79Å; H2395-Y2397 PolarHBondContact O-N 3.11Å; Y2397-T2399 VanDerWaalsContact C-N 3.26Å; Y2397-T2399 PolarHBondContact O-N 3.47Å |
| 2398 | S | 39 | Very low | 43.5 | Very low | 85 Ų | 85 | 102.6 Ų | 102.6 | 59% | 0.594 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -79.1 | 2.5 | -179.5 | 58.8 | 0 | 0 | 0 | 0 | 115.2 | H2395 P2396 | H2395-S2398 WeakPolarHBondContact O-CB 3.48Å; H2395-S2398 PolarHBondContact O-N 3.39Å; H2395-S2398 PolarHBondContact O-OG 3.41Å; P2396-S2398 VanDerWaalsContact C-N 3.33Å |
| 2399 | T | 32 | Very low | 40.8 | Very low | 119 Ų | 119 | 105 Ų | 105 | 73% | 0.73 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -107.5 | 30.3 | -173.7 | 57.5 | 0 | 0 | 0 | 0 | 113.9 | P2396 Y2397 | P2396-T2399 PolarHBondContact O-OG1 3.29Å; Y2397-T2399 VanDerWaalsContact C-N 3.26Å; Y2397-T2399 PolarHBondContact O-N 3.47Å |
| 2400 | V | 31.7 | Very low | 38.4 | Very low | 110 Ų | 110 | 109.8 Ų | 109.8 | 67% | 0.667 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -125.5 | 147.3 | 172.9 | -171.4 | 0 | 0 | 0 | 0 | 108.1 | ||
| 2401 | D | 32 | Very low | 35.8 | Very low | 146 Ų | 146 | 117.8 Ų | 117.8 | 78% | 0.781 | 66% | 0.658 | S | S | * | * | trans | 64.1 | 57 | -180 | -57.8 | -23 | 0 | 0 | 0 | 117.3 | N2403 | D2401-N2403 PolarHBondContact O-N 2.87Š| ||
| 2402 | G | 27.3 | Very low | 33.4 | Very low | 82 Ų | 82 | 122.9 Ų | 122.9 | 85% | 0.845 | 69% | 0.693 | S | S | * | * | trans | -73.6 | 57.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 2403 | N | 26.8 | Very low | 31.4 | Very low | 157 Ų | 157 | 130.5 Ų | 130.5 | 84% | 0.84 | 72% | 0.722 | S | S | * | * | trans | -138.2 | 35.1 | -176.1 | -98.4 | -24.2 | 0 | 0 | 0 | 114.1 | D2401 | D2401-N2403 PolarHBondContact O-N 2.87Š| ||
| 2404 | L | 26 | Very low | 30.3 | Very low | 158 Ų | 158 | 132.5 Ų | 132.5 | 83% | 0.827 | 74% | 0.741 | S | S | * | * | trans | -138.1 | 36.6 | 178.3 | -94 | 174.2 | 0 | 0 | 0 | 114.3 | E2406 | L2404-E2406 VanDerWaalsContact C-N 3.25Å; L2404-E2406 PolarHBondContact O-N 3.35Å | ||
| 2405 | E | 22.3 | Very low | 29.8 | Very low | 205 Ų | 205 | 133.6 Ų | 133.6 | 96% | 0.958 | 74% | 0.742 | S | S | * | * | trans | -85.8 | 50.2 | 168.7 | -67.8 | -157.4 | 146.5 | 0 | 0 | 112.9 | ||||
| 2406 | E | 23.6 | Very low | 29.8 | Very low | 167 Ų | 167 | 136 Ų | 136 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | trans | -94.3 | 108.8 | 175.4 | -72.3 | -155.6 | 136.5 | 0 | 0 | 113.2 | L2404 | L2404-E2406 VanDerWaalsContact C-N 3.25Å; L2404-E2406 PolarHBondContact O-N 3.35Å | ||
| 2407 | S | 20.8 | Very low | 30.7 | Very low | 102 Ų | 102 | 133.2 Ų | 133.2 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | trans | 51.7 | 77.3 | 150.4 | 61.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 2408 | F | 23.4 | Very low | 32.3 | Very low | 197 Ų | 197 | 128 Ų | 128 | 86% | 0.864 | 73% | 0.727 | S | S | * | * | trans | -137.3 | 125.1 | 136.6 | -99.9 | -74.2 | 0 | 0 | 0 | 111.3 | ||||
| 2409 | S | 21.2 | Very low | 34.4 | Very low | 96 Ų | 96 | 124.5 Ų | 124.5 | 67% | 0.671 | 70% | 0.701 | S | S | * | * | trans | -81.7 | 133.8 | -164.2 | 54.3 | 0 | 0 | 0 | 0 | 114.4 | E2411 | S2409-E2411 PolarHBondContact O-N 2.84Š| ||
| 2410 | T | 22.7 | Very low | 36.9 | Very low | 136 Ų | 136 | 118.9 Ų | 118.9 | 83% | 0.834 | 67% | 0.666 | S | S | * | * | trans | 44.7 | 72.1 | 142.2 | 62.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 2411 | E | 23.2 | Very low | 39.3 | Very low | 170 Ų | 170 | 114.5 Ų | 114.5 | 79% | 0.794 | 64% | 0.64 | S | S | * | * | trans | -118.3 | 143.2 | 148.2 | -73 | -164.1 | 128.1 | 0 | 0 | 110.1 | S2409 | S2409-E2411 PolarHBondContact O-N 2.84Š| ||
| 2412 | S | 23.8 | Very low | 41.9 | Very low | 111 Ų | 111 | 111.2 Ų | 111.2 | 78% | 0.776 | 62% | 0.619 | S | S | * | * | trans | -52.2 | 145.4 | -166.3 | 54.1 | 0 | 0 | 0 | 0 | 115.2 | S2414 | S2412-S2414 PolarHBondContact O-N 3.44Š| ||
| 2413 | H | 25.5 | Very low | 44.8 | Very low | 197 Ų | 197 | 107.3 Ų | 107.3 | 91% | 0.912 | 58% | 0.579 | S | S | * | * | trans | -28.3 | 92.8 | 168 | -59.3 | -80.6 | 0 | 0 | 0 | 114 | E2415 | H2413-E2415 PolarHBondContact O-N 2.94Š| ||
| 2414 | S | 32.9 | Very low | 47.7 | Very low | 108 Ų | 108 | 100 Ų | 100 | 76% | 0.755 | 54% | 0.539 | S | S | * | . | trans | -78.1 | 117.2 | 164.3 | 52.1 | 0 | 0 | 0 | 0 | 107.8 | S2412 | S2412-S2414 PolarHBondContact O-N 3.44Š| ||
| 2415 | E | 37.1 | Very low | 50.5 | Low | 169 Ų | 169 | 94.7 Ų | 94.7 | 79% | 0.79 | 51% | 0.514 | S | S | * | . | trans | -47.2 | 142 | 163.4 | -62.5 | 169.7 | 153 | 0 | 0 | 108.8 | H2413 V2417 | H2413-E2415 PolarHBondContact O-N 2.94Å; E2415-V2417 VanDerWaalsContact C-N 3.25Å; E2415-V2417 WeakPolarHBondContact O-CG2 3.38Å; E2415-V2417 PolarHBondContact O-N 3.03Å | ||
| 2416 | S | 48.2 | Very low | 53.6 | Low | 113 Ų | 113 | 86 Ų | 86 | 79% | 0.79 | 47% | 0.473 | S | S | * | . | trans | -71.8 | 78.3 | -173.6 | 57.6 | 0 | 0 | 0 | 0 | 111.5 | D2418 | S2416-D2418 PolarHBondContact O-N 3.45Š| ||
| 2417 | V | 62.6 | Low | 56.7 | Low | 42 Ų | 42 | 78.1 Ų | 78.1 | 26% | 0.255 | 44% | 0.437 | S | S | . | . | trans | -67 | 111.9 | -179.8 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | E2415 T2421 K2422 L2432 | E2415-V2417 VanDerWaalsContact C-N 3.25Å; E2415-V2417 WeakPolarHBondContact O-CG2 3.38Å; E2415-V2417 PolarHBondContact O-N 3.03Å; V2417-T2421 HydrophobicContact CG1-CG2 3.52Å; V2417-K2422 HydrophobicContact CG1-CG 4.13Å; V2417-K2422 WeakPolarHBondContact O-CE 3.2Å; V2417-K2422 PolarHBondContact O-NZ 3.49Å; V2417-L2432 HydrophobicContact CG2-CD1 4.3Å | ||
| 2418 | D | 75.2 | Confident | 59.8 | Low | 18 Ų | 18 | 73.2 Ų | 73.2 | 10% | 0.096 | 40% | 0.403 | C | S | . | . | trans | -59.5 | 162.2 | 179.4 | 66.5 | -84.4 | 0 | 0 | 0 | 113.8 | I2391 S2416 L2420 T2421 K2422 R2480 | I2391-D2418 HydrophobicContact CG2-CB 4.15Å; S2416-D2418 PolarHBondContact O-N 3.45Å; D2418-L2420 VanDerWaalsContact C-N 3.32Å; D2418-L2420 PolarHBondContact O-N 3.02Å; D2418-L2420 WeakPolarHBondContact OD2-CA 3.42Å; D2418-L2420 WeakPolarHBondContact OD2-CB 3.39Å; D2418-L2420 PolarHBondContact OD2-N 3.4Å; D2418-L2420 VanDerWaalsContact OD2-N 3.11Å; D2418-T2421 VanDerWaalsContact CG-OG1 3.28Å; D2418-T2421 PolarHBondContact O-N 2.91Å; D2418-T2421 VanDerWaalsContact OD1-CB 3.31Å; D2418-T2421 WeakPolarHBondContact OD1-CB 3.42Å; D2418-T2421 PolarHBondContact OD1-OG1 3.12Å; D2418-T2421 PolarHBondContact OD2-N 3.2Å; D2418-T2421 PolarHBondContact OD2-OG1 2.96Å; D2418-K2422 WeakPolarHBondContact O-CG 3.47Å; D2418-K2422 PolarHBondContact O-N 3.13Å; D2418-R2480 VanDerWaalsContact CG-NH2 3.26Å; D2418-R2480 IonicContact OD1-CZ 2.76Å; D2418-R2480 VanDerWaalsContact OD1-CZ 3.31Å; D2418-R2480 IonicContact OD1-NH1 2.87Å; D2418-R2480 PolarHBondContact OD1-NH1 3.47Å; D2418-R2480 IonicContact OD1-NH2 3.18Å; D2418-R2480 PolarHBondContact OD1-NH2 3.33Å; D2418-R2480 IonicContact OD2-CZ 3.84Å; D2418-R2480 IonicContact OD2-NH1 3.31Å; D2418-R2480 PolarHBondContact OD2-NH1 2.9Å; D2418-R2480 IonicContact OD2-NH2 3.9Å | ||
| 2419 | R | 84 | Confident | 62.6 | Low | 12 Ų | 12 | 67.3 Ų | 67.3 | 5% | 0.045 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.8 | -27.2 | -174.4 | -68.3 | -176 | -63.1 | -95.3 | 6.3 | 114.4 | F2376 A2390 I2391 A2392 D2393 K2422 L2423 M2468 | F2376-R2419 HydrophobicContact CE1-CB 4.49Å; A2390-R2419 VanDerWaalsContact O-CZ 3.26Å; A2390-R2419 PolarHBondContact O-NE 2.86Å; A2390-R2419 PolarHBondContact O-NH2 2.9Å; I2391-R2419 PolarHBondContact O-N 2.88Å; A2392-R2419 VanDerWaalsContact O-CZ 3.27Å; A2392-R2419 PolarHBondContact O-NH1 3.43Å; A2392-R2419 VanDerWaalsContact O-NH1 3.09Å; A2392-R2419 PolarHBondContact O-NH2 3.44Å; D2393-R2419 WeakPolarHBondContact OD1-CG 3.48Å; D2393-R2419 IonicContact OD1-CZ 3.37Å; D2393-R2419 IonicContact OD1-NH1 2.69Å; D2393-R2419 PolarHBondContact OD1-NH1 2.68Å; R2419-K2422 HydrophobicContact CG-CD 4.26Å; R2419-K2422 PolarHBondContact O-N 3.39Å; R2419-L2423 PolarHBondContact O-N 2.83Å; R2419-M2468 HydrophobicContact CB-CE 3.9Å |
| 2420 | L | 84.3 | Confident | 65.2 | Low | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69.4 | -42.5 | 173.9 | -173.4 | 66.1 | 0 | 0 | 0 | 110.6 | I2391 D2418 L2423 F2424 V2465 W2469 | I2391-L2420 HydrophobicContact CD1-CB 4.37Å; I2391-L2420 HydrophobicContact CD1-CD2 3.92Å; I2391-L2420 HydrophobicContact CG1-CB 4.22Å; I2391-L2420 HydrophobicContact CG2-CB 4.11Å; D2418-L2420 VanDerWaalsContact C-N 3.32Å; D2418-L2420 PolarHBondContact O-N 3.02Å; D2418-L2420 WeakPolarHBondContact OD2-CA 3.42Å; D2418-L2420 WeakPolarHBondContact OD2-CB 3.39Å; D2418-L2420 PolarHBondContact OD2-N 3.4Å; D2418-L2420 VanDerWaalsContact OD2-N 3.11Å; L2420-L2423 WeakPolarHBondContact O-CB 3.45Å; L2420-L2423 PolarHBondContact O-N 3.22Å; L2420-F2424 HydrophobicContact CD1-CD1 4.2Å; L2420-F2424 HydrophobicContact CD1-CE1 3.46Å; L2420-F2424 VanDerWaalsContact CD1-CE1 3.46Å; L2420-F2424 HydrophobicContact CD1-CZ 3.89Å; L2420-F2424 HydrophobicContact CD2-CE1 4.21Å; L2420-F2424 HydrophobicContact CD2-CE2 4.36Å; L2420-F2424 HydrophobicContact CD2-CZ 3.75Å; L2420-F2424 HydrophobicContact CG-CD1 4.19Å; L2420-F2424 HydrophobicContact CG-CE1 3.54Å; L2420-F2424 HydrophobicContact CG-CE2 4.16Å; L2420-F2424 HydrophobicContact CG-CZ 3.54Å; L2420-F2424 WeakPolarHBondContact O-CD1 3.37Å; L2420-F2424 VanDerWaalsContact O-CG 3.25Å; L2420-F2424 WeakPolarHBondContact O-CG 3.43Å; L2420-F2424 PolarHBondContact O-N 2.96Å; L2420-V2465 HydrophobicContact CD1-CG1 4.42Å; L2420-W2469 HydrophobicContact CD2-CE3 4.38Å; L2420-W2469 HydrophobicContact CD2-CZ3 4.1Å |
| 2421 | T | 83.1 | Confident | 67.8 | Low | 19 Ų | 19 | 60.6 Ų | 60.6 | 12% | 0.117 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.8 | -36.5 | 174 | -55.6 | 0 | 0 | 0 | 0 | 112.1 | V2417 D2418 L2423 F2424 V2425 L2432 R2480 | V2417-T2421 HydrophobicContact CG1-CG2 3.52Å; D2418-T2421 VanDerWaalsContact CG-OG1 3.28Å; D2418-T2421 PolarHBondContact O-N 2.91Å; D2418-T2421 VanDerWaalsContact OD1-CB 3.31Å; D2418-T2421 WeakPolarHBondContact OD1-CB 3.42Å; D2418-T2421 PolarHBondContact OD1-OG1 3.12Å; D2418-T2421 PolarHBondContact OD2-N 3.2Å; D2418-T2421 PolarHBondContact OD2-OG1 2.96Å; T2421-L2423 VanDerWaalsContact C-N 3.33Å; T2421-L2423 PolarHBondContact O-N 3.5Å; T2421-F2424 PolarHBondContact O-N 3.22Å; T2421-V2425 WeakPolarHBondContact O-CG2 3.33Å; T2421-V2425 PolarHBondContact O-N 2.94Å; T2421-L2432 HydrophobicContact CG2-CD1 4.15Å; T2421-R2480 PolarHBondContact OG1-NH1 3.06Å |
| 2422 | K | 85.4 | Confident | 69.9 | Low | 77 Ų | 77 | 57.6 Ų | 57.6 | 34% | 0.335 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.9 | -44.5 | 171.1 | -68.1 | 170.7 | 179.1 | 122.2 | 0 | 111.1 | F2376 D2393 V2417 D2418 R2419 V2425 L2426 | F2376-K2422 HydrophobicContact CZ-CB 4.02Å; D2393-K2422 IonicContact OD1-NZ 2.85Å; D2393-K2422 PolarHBondContact OD1-NZ 3.29Å; D2393-K2422 IonicContact OD2-NZ 3.07Å; D2393-K2422 PolarHBondContact OD2-NZ 3.44Å; V2417-K2422 HydrophobicContact CG1-CG 4.13Å; V2417-K2422 WeakPolarHBondContact O-CE 3.2Å; V2417-K2422 PolarHBondContact O-NZ 3.49Å; D2418-K2422 WeakPolarHBondContact O-CG 3.47Å; D2418-K2422 PolarHBondContact O-N 3.13Å; R2419-K2422 HydrophobicContact CG-CD 4.26Å; R2419-K2422 PolarHBondContact O-N 3.39Å; K2422-V2425 PolarHBondContact O-N 3.06Å; K2422-L2426 PolarHBondContact O-N 2.87Å; K2422-L2426 VanDerWaalsContact O-N 3.14Å |
| 2423 | L | 88.2 | Confident | 71.7 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.9 | -38.9 | 173.8 | 177.4 | 59.5 | 0 | 0 | 0 | 112.6 | F2376 R2419 L2420 T2421 V2425 L2426 I2427 A2461 A2464 V2465 M2468 | F2376-L2423 HydrophobicContact CB-CD1 4.12Å; F2376-L2423 HydrophobicContact CD1-CB 4.23Å; F2376-L2423 HydrophobicContact CD2-CB 4.47Å; F2376-L2423 HydrophobicContact CD2-CD1 3.86Å; F2376-L2423 HydrophobicContact CE1-CB 4.15Å; F2376-L2423 HydrophobicContact CE2-CB 4.39Å; F2376-L2423 HydrophobicContact CE2-CD1 4.42Å; F2376-L2423 HydrophobicContact CG-CB 4.42Å; F2376-L2423 HydrophobicContact CG-CD1 3.96Å; F2376-L2423 HydrophobicContact CZ-CB 4.24Å; R2419-L2423 PolarHBondContact O-N 2.83Å; L2420-L2423 WeakPolarHBondContact O-CB 3.45Å; L2420-L2423 PolarHBondContact O-N 3.22Å; T2421-L2423 VanDerWaalsContact C-N 3.33Å; T2421-L2423 PolarHBondContact O-N 3.5Å; L2423-V2425 VanDerWaalsContact C-N 3.29Å; L2423-V2425 PolarHBondContact O-N 3.33Å; L2423-L2426 HydrophobicContact CD1-CD2 4.34Å; L2423-L2426 WeakPolarHBondContact O-CB 3.34Å; L2423-L2426 PolarHBondContact O-N 3.49Å; L2423-L2426 VanDerWaalsContact O-N 3.12Å; L2423-I2427 HydrophobicContact CD1-CD1 4.18Å; L2423-I2427 HydrophobicContact CD1-CG1 4.47Å; L2423-I2427 HydrophobicContact CG-CD1 4.19Å; L2423-I2427 PolarHBondContact O-N 3.35Å; L2423-I2427 VanDerWaalsContact O-N 3.1Å; L2423-A2461 HydrophobicContact CD1-CB 4.07Å; L2423-A2464 HydrophobicContact CD2-CB 3.81Å; L2423-V2465 HydrophobicContact CD2-CB 4.49Å; L2423-V2465 HydrophobicContact CD2-CG2 3.66Å; L2423-V2465 HydrophobicContact CG-CG2 4.07Å; L2423-M2468 HydrophobicContact CD2-SD 3.76Å |
| 2424 | F | 88.6 | Confident | 73 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 1% | 0.013 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.5 | -36.5 | 176.1 | -68.1 | 0.2 | 0 | 0 | 0 | 112 | L2420 T2421 I2427 I2428 W2431 V2465 T2484 L2487 | L2420-F2424 HydrophobicContact CD1-CD1 4.2Å; L2420-F2424 HydrophobicContact CD1-CE1 3.46Å; L2420-F2424 VanDerWaalsContact CD1-CE1 3.46Å; L2420-F2424 HydrophobicContact CD1-CZ 3.89Å; L2420-F2424 HydrophobicContact CD2-CE1 4.21Å; L2420-F2424 HydrophobicContact CD2-CE2 4.36Å; L2420-F2424 HydrophobicContact CD2-CZ 3.75Å; L2420-F2424 HydrophobicContact CG-CD1 4.19Å; L2420-F2424 HydrophobicContact CG-CE1 3.54Å; L2420-F2424 HydrophobicContact CG-CE2 4.16Å; L2420-F2424 HydrophobicContact CG-CZ 3.54Å; L2420-F2424 WeakPolarHBondContact O-CD1 3.37Å; L2420-F2424 VanDerWaalsContact O-CG 3.25Å; L2420-F2424 WeakPolarHBondContact O-CG 3.43Å; L2420-F2424 PolarHBondContact O-N 2.96Å; T2421-F2424 PolarHBondContact O-N 3.22Å; F2424-I2427 PolarHBondContact O-N 3.12Å; F2424-I2428 PolarHBondContact O-N 3.15Å; F2424-W2431 HydrophobicContact CB-CG 4.13Å; F2424-W2431 HydrophobicContact CD2-CZ2 4.49Å; F2424-W2431 AromaticContact CD2-NE1 3.54Å; F2424-V2465 HydrophobicContact CD1-CG2 4.29Å; F2424-V2465 HydrophobicContact CE1-CG1 3.82Å; F2424-V2465 HydrophobicContact CE1-CG2 4.01Å; F2424-V2465 HydrophobicContact CZ-CG1 4.47Å; F2424-T2484 HydrophobicContact CZ-CG2 4.11Å; F2424-L2487 HydrophobicContact CB-CD2 4.28Å; F2424-L2487 HydrophobicContact CD1-CD2 3.22Å; F2424-L2487 HydrophobicContact CD2-CD2 4.19Å; F2424-L2487 HydrophobicContact CE1-CD2 3.37Å; F2424-L2487 HydrophobicContact CE2-CD2 4.31Å; F2424-L2487 HydrophobicContact CG-CD2 3.66Å; F2424-L2487 HydrophobicContact CZ-CD2 3.92Å |
| 2425 | V | 85.2 | Confident | 73.7 | Confident | 47 Ų | 47 | 52.7 Ų | 52.7 | 29% | 0.285 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -70.6 | -31.8 | 173.7 | 172.9 | 0 | 0 | 0 | 0 | 112.1 | T2421 K2422 L2423 I2427 I2428 P2429 W2431 L2432 | T2421-V2425 WeakPolarHBondContact O-CG2 3.33Å; T2421-V2425 PolarHBondContact O-N 2.94Å; K2422-V2425 PolarHBondContact O-N 3.06Å; L2423-V2425 VanDerWaalsContact C-N 3.29Å; L2423-V2425 PolarHBondContact O-N 3.33Å; V2425-I2427 VanDerWaalsContact C-N 3.34Å; V2425-I2428 CarbonylContact O-C 3.55Å; V2425-P2429 VanDerWaalsContact O-CA 3.22Å; V2425-P2429 WeakPolarHBondContact O-CA 3.42Å; V2425-W2431 HydrophobicContact CG2-CB 4.41Å; V2425-L2432 HydrophobicContact CG2-CB 4.21Å |
| 2426 | L | 85.8 | Confident | 74.1 | Confident | 22 Ų | 22 | 54 Ų | 54 | 12% | 0.115 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.2 | -37.3 | 173.1 | -177.2 | 60.3 | 0 | 0 | 0 | 111.9 | Q2372 F2376 K2422 L2423 S2450 L2453 | Q2372-L2426 HydrophobicContact CB-CD2 4.16Å; Q2372-L2426 HydrophobicContact CG-CD2 4.25Å; F2376-L2426 HydrophobicContact CD2-CD2 3.8Å; F2376-L2426 HydrophobicContact CE2-CD2 3.96Å; K2422-L2426 PolarHBondContact O-N 2.87Å; K2422-L2426 VanDerWaalsContact O-N 3.14Å; L2423-L2426 HydrophobicContact CD1-CD2 4.34Å; L2423-L2426 WeakPolarHBondContact O-CB 3.34Å; L2423-L2426 PolarHBondContact O-N 3.49Å; L2423-L2426 VanDerWaalsContact O-N 3.12Å; L2426-S2450 VanDerWaalsContact O-CB 3.27Å; L2426-S2450 WeakPolarHBondContact O-CB 3.4Å; L2426-S2450 PolarHBondContact O-OG 2.85Å; L2426-L2453 HydrophobicContact CD1-CD2 4.37Å; L2426-L2453 HydrophobicContact CG-CD1 4.34Å |
| 2427 | I | 88.7 | Confident | 73.5 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -80.1 | -46.2 | 178.2 | -61.4 | 164.9 | 0 | 0 | 0 | 111.8 | L2423 F2424 V2425 L2449 S2450 L2458 A2461 V2462 V2465 V2491 | L2423-I2427 HydrophobicContact CD1-CD1 4.18Å; L2423-I2427 HydrophobicContact CD1-CG1 4.47Å; L2423-I2427 HydrophobicContact CG-CD1 4.19Å; L2423-I2427 PolarHBondContact O-N 3.35Å; L2423-I2427 VanDerWaalsContact O-N 3.1Å; F2424-I2427 PolarHBondContact O-N 3.12Å; V2425-I2427 VanDerWaalsContact C-N 3.34Å; I2427-L2449 HydrophobicContact CG2-CD2 4.19Å; I2427-S2450 PolarHBondContact O-N 3.41Å; I2427-S2450 PolarHBondContact O-OG 3.08Å; I2427-L2458 HydrophobicContact CG2-CD1 3.91Å; I2427-A2461 HydrophobicContact CD1-CB 4.25Å; I2427-A2461 HydrophobicContact CG1-CB 3.92Å; I2427-V2462 HydrophobicContact CD1-CG2 4.25Å; I2427-V2465 HydrophobicContact CD1-CG2 3.72Å; I2427-V2491 HydrophobicContact CG2-CG2 3.77Å |
| 2428 | I | 86.9 | Confident | 72.4 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | -127.8 | 97.3 | 177.2 | -57.9 | -168.2 | 0 | 0 | 0 | 109.2 | F2424 V2425 Q2430 W2431 L2447 L2449 L2487 | F2424-I2428 PolarHBondContact O-N 3.15Å; V2425-I2428 CarbonylContact O-C 3.55Å; I2428-Q2430 HydrophobicContact CG2-CB 4.4Å; I2428-Q2430 PolarHBondContact O-N 2.7Å; I2428-W2431 HydrophobicContact CB-CB 4.48Å; I2428-W2431 HydrophobicContact CB-CE3 4.36Å; I2428-W2431 HydrophobicContact CD1-CE3 4.24Å; I2428-W2431 HydrophobicContact CD1-CZ3 4.32Å; I2428-W2431 HydrophobicContact CG2-CE3 4.37Å; I2428-W2431 WeakPolarHBondContact O-CB 3.45Å; I2428-W2431 PolarHBondContact O-N 3.39Å; I2428-L2447 HydrophobicContact CG2-CB 4.21Å; I2428-L2447 HydrophobicContact CG2-CD2 4.21Å; I2428-L2449 HydrophobicContact CG1-CD2 4.36Å; I2428-L2487 HydrophobicContact CD1-CD1 3.67Å; I2428-L2487 HydrophobicContact CG1-CD1 3.94Å | ||
| 2429 | P | 81.4 | Confident | 70.8 | Confident | 73 Ų | 73 | 61.5 Ų | 61.5 | 47% | 0.474 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -8.8 | -175.4 | -26.5 | 36.7 | 0 | 0 | 0 | 115.6 | V2425 | V2425-P2429 VanDerWaalsContact O-CA 3.22Å; V2425-P2429 WeakPolarHBondContact O-CA 3.42Å |
| 2430 | Q | 75.8 | Confident | 68.6 | Low | 77 Ų | 77 | 67 Ų | 67 | 36% | 0.36 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -7.8 | 177.9 | -58.9 | -177.5 | 1.3 | 0 | 0 | 113.3 | I2428 L2432 K2433 L2447 | I2428-Q2430 HydrophobicContact CG2-CB 4.4Å; I2428-Q2430 PolarHBondContact O-N 2.7Å; Q2430-L2432 PolarHBondContact O-N 3.48Å; Q2430-K2433 WeakPolarHBondContact O-CB 3.42Å; Q2430-K2433 PolarHBondContact O-N 3.38Å; Q2430-L2447 HydrophobicContact CB-CD2 3.94Å |
| 2431 | W | 77.7 | Confident | 66.6 | Low | 13 Ų | 13 | 72.5 Ų | 72.5 | 5% | 0.049 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -55.7 | -45 | -167.3 | -165.1 | -99 | 0 | 0 | 0 | 113.9 | F2424 V2425 I2428 K2433 R2434 L2447 E2483 I2486 L2487 | F2424-W2431 HydrophobicContact CB-CG 4.13Å; F2424-W2431 HydrophobicContact CD2-CZ2 4.49Å; F2424-W2431 AromaticContact CD2-NE1 3.54Å; V2425-W2431 HydrophobicContact CG2-CB 4.41Å; I2428-W2431 HydrophobicContact CB-CB 4.48Å; I2428-W2431 HydrophobicContact CB-CE3 4.36Å; I2428-W2431 HydrophobicContact CD1-CE3 4.24Å; I2428-W2431 HydrophobicContact CD1-CZ3 4.32Å; I2428-W2431 HydrophobicContact CG2-CE3 4.37Å; I2428-W2431 WeakPolarHBondContact O-CB 3.45Å; I2428-W2431 PolarHBondContact O-N 3.39Å; W2431-K2433 PolarHBondContact O-N 2.94Å; W2431-R2434 PolarHBondContact O-N 2.67Å; W2431-R2434 VanDerWaalsContact O-N 3.14Å; W2431-L2447 HydrophobicContact CE3-CD1 4.23Å; W2431-L2447 HydrophobicContact CZ3-CD1 4.05Å; W2431-E2483 HydrophobicContact CZ2-CB 4.49Å; W2431-I2486 HydrophobicContact CH2-CG2 4.27Å; W2431-L2487 HydrophobicContact CD2-CD1 4.19Å; W2431-L2487 HydrophobicContact CE3-CD1 3.69Å; W2431-L2487 HydrophobicContact CH2-CB 3.62Å; W2431-L2487 HydrophobicContact CH2-CD1 3.94Å; W2431-L2487 HydrophobicContact CH2-CG 4.41Å; W2431-L2487 HydrophobicContact CZ2-CB 4.04Å; W2431-L2487 HydrophobicContact CZ2-CD1 4.4Å; W2431-L2487 HydrophobicContact CZ3-CB 4.1Å; W2431-L2487 HydrophobicContact CZ3-CD1 3.56Å; W2431-L2487 HydrophobicContact CZ3-CG 4.46Å |
| 2432 | L | 67.8 | Low | 64.7 | Low | 107 Ų | 107 | 81.4 Ų | 81.4 | 56% | 0.56 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -57.8 | -22.5 | -178.9 | -160.2 | 73.6 | 0 | 0 | 0 | 113.4 | V2417 T2421 V2425 Q2430 R2434 | V2417-L2432 HydrophobicContact CG2-CD1 4.3Å; T2421-L2432 HydrophobicContact CG2-CD1 4.15Å; V2425-L2432 HydrophobicContact CG2-CB 4.21Å; Q2430-L2432 PolarHBondContact O-N 3.48Å; L2432-R2434 PolarHBondContact O-N 3.32Å |
| 2433 | K | 60.5 | Low | 63 | Low | 174 Ų | 174 | 80.6 Ų | 80.6 | 76% | 0.757 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -69.6 | -13 | -179.4 | -61.5 | -172.5 | 177.3 | -174.3 | 0 | 113.9 | Q2430 W2431 G2435 | Q2430-K2433 WeakPolarHBondContact O-CB 3.42Å; Q2430-K2433 PolarHBondContact O-N 3.38Å; W2431-K2433 PolarHBondContact O-N 2.94Å; K2433-G2435 VanDerWaalsContact C-N 3.35Å; K2433-G2435 PolarHBondContact O-N 3.12Å |
| 2434 | R | 53.4 | Low | 61.2 | Low | 66 Ų | 66 | 83.5 Ų | 83.5 | 25% | 0.249 | 44% | 0.444 | C | S | . | . | G | 310 helix | trans | -65.5 | -33.2 | 178.8 | -177.9 | -177.4 | -86.3 | 174.9 | -1.9 | 113.1 | W2431 L2432 K2436 | W2431-R2434 PolarHBondContact O-N 2.67Å; W2431-R2434 VanDerWaalsContact O-N 3.14Å; L2432-R2434 PolarHBondContact O-N 3.32Å; R2434-K2436 PolarHBondContact O-N 2.6Å |
| 2435 | G | 48.7 | Very low | 59.4 | Low | 74 Ų | 74 | 92 Ų | 92 | 76% | 0.763 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -63 | -11 | -166.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | K2433 | K2433-G2435 VanDerWaalsContact C-N 3.35Å; K2433-G2435 PolarHBondContact O-N 3.12Å |
| 2436 | K | 43.6 | Very low | 58.3 | Low | 195 Ų | 195 | 95.8 Ų | 95.8 | 85% | 0.848 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -95.4 | -5.3 | -173.3 | -67.5 | -164.6 | 173.3 | -172.1 | 0 | 116.4 | R2434 | R2434-K2436 PolarHBondContact O-N 2.6Š|
| 2437 | N | 35.5 | Very low | 57.5 | Low | 101 Ų | 101 | 96 Ų | 96 | 54% | 0.54 | 50% | 0.503 | S | S | . | . | trans | -165.7 | 111.7 | 169.4 | -101.1 | -53.3 | 0 | 0 | 0 | 112.8 | T2439 | N2437-T2439 PolarHBondContact O-N 2.96Š| ||
| 2438 | P | 40.9 | Very low | 56.9 | Low | 112 Ų | 112 | 103 Ų | 103 | 73% | 0.727 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -70.8 | -12.2 | 178.9 | 29.5 | -35.2 | 0 | 0 | 0 | 113.9 | Q2440 | P2438-Q2440 VanDerWaalsContact C-N 3.3Å; P2438-Q2440 PolarHBondContact O-N 3.03Å |
| 2439 | T | 40.8 | Very low | 56.7 | Low | 119 Ų | 119 | 104.5 Ų | 104.5 | 73% | 0.73 | 54% | 0.542 | S | S | * | . | G | 310 helix | trans | -76 | -10.1 | -178.8 | 47.8 | 0 | 0 | 0 | 0 | 114.5 | N2437 | N2437-T2439 PolarHBondContact O-N 2.96Š|
| 2440 | Q | 38.1 | Very low | 56.7 | Low | 126 Ų | 126 | 101.6 Ų | 101.6 | 59% | 0.589 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -96.4 | 32.1 | -178.3 | -69.5 | -161.6 | -8.5 | 0 | 0 | 114.8 | P2438 K2442 S2443 | P2438-Q2440 VanDerWaalsContact C-N 3.3Å; P2438-Q2440 PolarHBondContact O-N 3.03Å; Q2440-K2442 PolarHBondContact O-N 3.03Å; Q2440-S2443 PolarHBondContact O-N 3.13Å; Q2440-S2443 PolarHBondContact O-OG 3.36Å; Q2440-S2443 VanDerWaalsContact O-OG 3.09Å |
| 2441 | N | 42.2 | Very low | 56.7 | Low | 116 Ų | 116 | 104.9 Ų | 104.9 | 62% | 0.62 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -58.2 | -7 | 175 | -93.5 | -14.9 | 0 | 0 | 0 | 115.4 | S2443 | N2441-S2443 VanDerWaalsContact C-N 3.33Š|
| 2442 | K | 44.2 | Very low | 56.6 | Low | 206 Ų | 206 | 112.1 Ų | 112.1 | 90% | 0.896 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -76.9 | -8.3 | 168.6 | -71.2 | -169.6 | 175.6 | -175 | 0 | 114.9 | Q2440 | Q2440-K2442 PolarHBondContact O-N 3.03Š|
| 2443 | S | 48.1 | Very low | 57.3 | Low | 61 Ų | 61 | 107.9 Ų | 107.9 | 43% | 0.427 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -92.5 | 6.1 | -177.8 | 72.1 | 0 | 0 | 0 | 0 | 114.9 | Q2440 N2441 E2445 N2446 | Q2440-S2443 PolarHBondContact O-N 3.13Å; Q2440-S2443 PolarHBondContact O-OG 3.36Å; Q2440-S2443 VanDerWaalsContact O-OG 3.09Å; N2441-S2443 VanDerWaalsContact C-N 3.33Å; S2443-E2445 VanDerWaalsContact C-N 3.28Å; S2443-E2445 PolarHBondContact O-N 2.81Å; S2443-N2446 PolarHBondContact O-N 2.81Å |
| 2444 | L | 51 | Low | 58.3 | Low | 60 Ų | 60 | 103.5 Ų | 103.5 | 31% | 0.314 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -56.7 | -36.9 | -177.2 | -104.8 | 75.1 | 0 | 0 | 0 | 113.6 | N2446 L2447 I2486 | L2444-N2446 PolarHBondContact O-N 3.4Å; L2444-N2446 VanDerWaalsContact O-N 3.07Å; L2444-L2447 PolarHBondContact O-N 2.9Å; L2444-I2486 HydrophobicContact CD2-CG2 3.9Å |
| 2445 | E | 51.9 | Low | 59.6 | Low | 182 Ų | 182 | 104.8 Ų | 104.8 | 85% | 0.85 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -66.3 | -12.1 | -171.7 | -59.9 | -172 | 139 | 0 | 0 | 114.2 | S2443 | S2443-E2445 VanDerWaalsContact C-N 3.28Å; S2443-E2445 PolarHBondContact O-N 2.81Å |
| 2446 | N | 60.5 | Low | 61.1 | Low | 126 Ų | 126 | 105.5 Ų | 105.5 | 67% | 0.674 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -98.2 | -4 | -176.6 | -73.3 | -34.5 | 0 | 0 | 0 | 115.1 | S2443 L2444 K2448 | S2443-N2446 PolarHBondContact O-N 2.81Å; L2444-N2446 PolarHBondContact O-N 3.4Å; L2444-N2446 VanDerWaalsContact O-N 3.07Å; N2446-K2448 PolarHBondContact O-N 3.24Å |
| 2447 | L | 69.7 | Low | 63.1 | Low | 26 Ų | 26 | 98 Ų | 98 | 14% | 0.136 | 50% | 0.502 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 122.2 | 178.7 | -69.3 | 173.4 | 0 | 0 | 0 | 110.7 | I2428 Q2430 W2431 L2444 Q2494 | I2428-L2447 HydrophobicContact CG2-CB 4.21Å; I2428-L2447 HydrophobicContact CG2-CD2 4.21Å; Q2430-L2447 HydrophobicContact CB-CD2 3.94Å; W2431-L2447 HydrophobicContact CE3-CD1 4.23Å; W2431-L2447 HydrophobicContact CZ3-CD1 4.05Å; L2444-L2447 PolarHBondContact O-N 2.9Å; L2447-Q2494 PolarHBondContact O-NE2 2.82Å |
| 2448 | K | 77.2 | Confident | 65.5 | Low | 148 Ų | 148 | 93.9 Ų | 93.9 | 64% | 0.643 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -103.3 | 139 | 175.8 | -66.8 | -174 | 177.6 | -176.6 | 0 | 112.2 | N2446 | N2446-K2448 PolarHBondContact O-N 3.24Š|
| 2449 | L | 82.3 | Confident | 67.7 | Low | 33 Ų | 33 | 89.6 Ų | 89.6 | 17% | 0.173 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 157 | 166.5 | -69.3 | 168.8 | 0 | 0 | 0 | 112.5 | I2427 I2428 T2451 L2458 V2491 Q2494 T2495 | I2427-L2449 HydrophobicContact CG2-CD2 4.19Å; I2428-L2449 HydrophobicContact CG1-CD2 4.36Å; L2449-T2451 PolarHBondContact O-N 3.42Å; L2449-L2458 HydrophobicContact CD1-CD2 4.22Å; L2449-L2458 HydrophobicContact CD2-CD1 4.38Å; L2449-L2458 HydrophobicContact CD2-CD2 4.43Å; L2449-V2491 HydrophobicContact CD2-CG1 4.34Å; L2449-V2491 HydrophobicContact CD2-CG2 4.07Å; L2449-Q2494 HydrophobicContact CD1-CB 3.58Å; L2449-Q2494 HydrophobicContact CG-CB 4.18Å; L2449-T2495 HydrophobicContact CD1-CG2 3.56Å |
| 2450 | S | 79.8 | Confident | 69.9 | Low | 12 Ų | 12 | 84.5 Ų | 84.5 | 8% | 0.084 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 123.6 | 173.3 | 56.8 | 0 | 0 | 0 | 0 | 112 | L2426 I2427 K2452 L2453 | L2426-S2450 VanDerWaalsContact O-CB 3.27Å; L2426-S2450 WeakPolarHBondContact O-CB 3.4Å; L2426-S2450 PolarHBondContact O-OG 2.85Å; I2427-S2450 PolarHBondContact O-N 3.41Å; I2427-S2450 PolarHBondContact O-OG 3.08Å; S2450-K2452 PolarHBondContact O-N 3.24Å; S2450-L2453 WeakPolarHBondContact OG-CD1 3.41Å |
| 2451 | T | 76.4 | Confident | 72.3 | Confident | 146 Ų | 146 | 78.5 Ų | 78.5 | 90% | 0.896 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | 9.8 | 171.6 | 60.9 | 0 | 0 | 0 | 0 | 113.1 | L2449 | L2449-T2451 PolarHBondContact O-N 3.42Š|
| 2452 | K | 76.6 | Confident | 74.7 | Confident | 164 Ų | 164 | 73 Ų | 73 | 71% | 0.713 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -23.2 | 179 | -64 | -169.4 | 173.1 | -172.8 | 0 | 112.8 | S2369 S2450 | S2369-K2452 VanDerWaalsContact OG-CB 3.32Å; S2369-K2452 WeakPolarHBondContact OG-CB 3.33Å; S2369-K2452 PolarHBondContact OG-O 3.05Å; S2450-K2452 PolarHBondContact O-N 3.24Å |
| 2453 | L | 81.8 | Confident | 76.7 | Confident | 19 Ų | 19 | 65.6 Ų | 65.6 | 10% | 0.099 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -95.2 | 138.9 | 178.2 | -60.9 | 173.6 | 0 | 0 | 0 | 109.9 | A2373 L2426 S2450 E2457 L2458 A2461 | A2373-L2453 HydrophobicContact CB-CD2 4.25Å; L2426-L2453 HydrophobicContact CD1-CD2 4.37Å; L2426-L2453 HydrophobicContact CG-CD1 4.34Å; S2450-L2453 WeakPolarHBondContact OG-CD1 3.41Å; L2453-E2457 WeakPolarHBondContact CA-OE2 3.44Å; L2453-E2457 HydrophobicContact CB-CB 4.2Å; L2453-E2457 HydrophobicContact CD2-CB 3.92Å; L2453-L2458 HydrophobicContact CB-CB 4.14Å; L2453-L2458 HydrophobicContact CD1-CB 4.41Å; L2453-L2458 HydrophobicContact CD1-CD1 3.92Å; L2453-A2461 HydrophobicContact CD1-CB 4.3Å |
| 2454 | N | 81.9 | Confident | 78.7 | Confident | 81 Ų | 81 | 62.7 Ų | 62.7 | 43% | 0.433 | 31% | 0.307 | S | S | . | . | trans | -78.8 | 170.8 | 163.4 | 73.9 | 54.5 | 0 | 0 | 0 | 111.2 | F2456 E2457 L2458 | N2454-F2456 PolarHBondContact O-N 2.87Å; N2454-F2456 WeakPolarHBondContact OD1-CA 3.37Å; N2454-F2456 WeakPolarHBondContact OD1-CB 3.48Å; N2454-F2456 PolarHBondContact OD1-N 3.13Å; N2454-E2457 PolarHBondContact N-OE2 3.1Å; N2454-E2457 VanDerWaalsContact ND2-CG 3.34Å; N2454-E2457 WeakPolarHBondContact ND2-CG 3.41Å; N2454-E2457 PolarHBondContact ND2-OE1 3.23Å; N2454-E2457 PolarHBondContact ND2-OE2 3.23Å; N2454-E2457 PolarHBondContact O-N 3.46Å; N2454-E2457 PolarHBondContact OD1-N 3.3Å; N2454-L2458 VanDerWaalsContact O-CB 3.22Å; N2454-L2458 WeakPolarHBondContact O-CB 3.2Å; N2454-L2458 PolarHBondContact O-N 2.96Å | ||
| 2455 | E | 80.8 | Confident | 80.6 | Confident | 94 Ų | 94 | 59.9 Ų | 59.9 | 44% | 0.439 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.7 | -31.3 | -174.7 | -167.7 | 173.1 | -179.4 | 0 | 0 | 113.1 | E2459 G2496 V2499 | E2455-E2459 WeakPolarHBondContact O-CB 3.27Å; E2455-E2459 PolarHBondContact O-N 3.46Å; E2455-G2496 VanDerWaalsContact OE1-CA 3.26Å; E2455-G2496 WeakPolarHBondContact OE1-CA 3.42Å; E2455-V2499 HydrophobicContact CG-CG2 3.55Å; E2455-V2499 WeakPolarHBondContact O-CG2 3.42Å |
| 2456 | F | 80.7 | Confident | 82.2 | Confident | 89 Ų | 89 | 51.2 Ų | 51.2 | 39% | 0.39 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -78.7 | -42.6 | 177.7 | 176.5 | -95.9 | 0 | 0 | 0 | 112.7 | N2454 L2458 E2459 Q2460 | N2454-F2456 PolarHBondContact O-N 2.87Å; N2454-F2456 WeakPolarHBondContact OD1-CA 3.37Å; N2454-F2456 WeakPolarHBondContact OD1-CB 3.48Å; N2454-F2456 PolarHBondContact OD1-N 3.13Å; F2456-L2458 VanDerWaalsContact C-N 3.26Å; F2456-L2458 PolarHBondContact O-N 3.04Å; F2456-E2459 WeakPolarHBondContact O-CA 3.32Å; F2456-E2459 VanDerWaalsContact O-CB 3.31Å; F2456-E2459 WeakPolarHBondContact O-CB 3.45Å; F2456-E2459 PolarHBondContact O-N 3.13Å; F2456-E2459 VanDerWaalsContact O-N 3.09Å; F2456-Q2460 HydrophobicContact CD1-CG 4.45Å; F2456-Q2460 VanDerWaalsContact CE1-CD 3.49Å; F2456-Q2460 HydrophobicContact CE1-CG 4.06Å; F2456-Q2460 HydrophobicContact CZ-CG 4.24Å; F2456-Q2460 WeakPolarHBondContact O-CG 3.36Å; F2456-Q2460 PolarHBondContact O-N 3.42Å |
| 2457 | E | 84 | Confident | 83.4 | Confident | 38 Ų | 38 | 47.1 Ų | 47.1 | 18% | 0.178 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62 | -37.4 | 172.5 | -67.1 | 166.2 | 172.3 | 0 | 0 | 111.2 | G2370 A2373 L2453 N2454 Q2460 A2461 | G2370-E2457 VanDerWaalsContact CA-CD 3.41Å; G2370-E2457 WeakPolarHBondContact CA-OE1 3.32Å; A2373-E2457 HydrophobicContact CB-CB 4.49Å; L2453-E2457 WeakPolarHBondContact CA-OE2 3.44Å; L2453-E2457 HydrophobicContact CB-CB 4.2Å; L2453-E2457 HydrophobicContact CD2-CB 3.92Å; N2454-E2457 PolarHBondContact N-OE2 3.1Å; N2454-E2457 VanDerWaalsContact ND2-CG 3.34Å; N2454-E2457 WeakPolarHBondContact ND2-CG 3.41Å; N2454-E2457 PolarHBondContact ND2-OE1 3.23Å; N2454-E2457 PolarHBondContact ND2-OE2 3.23Å; N2454-E2457 PolarHBondContact O-N 3.46Å; N2454-E2457 PolarHBondContact OD1-N 3.3Å; E2457-Q2460 PolarHBondContact O-N 3.33Å; E2457-A2461 WeakPolarHBondContact O-CB 3.43Å; E2457-A2461 PolarHBondContact O-N 3.29Å |
| 2458 | L | 86.5 | Confident | 84.2 | Confident | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.073 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.6 | -37.9 | 172.4 | -177 | 64.1 | 0 | 0 | 0 | 111.4 | I2427 L2449 L2453 N2454 F2456 V2462 T2495 V2499 | I2427-L2458 HydrophobicContact CG2-CD1 3.91Å; L2449-L2458 HydrophobicContact CD1-CD2 4.22Å; L2449-L2458 HydrophobicContact CD2-CD1 4.38Å; L2449-L2458 HydrophobicContact CD2-CD2 4.43Å; L2453-L2458 HydrophobicContact CB-CB 4.14Å; L2453-L2458 HydrophobicContact CD1-CB 4.41Å; L2453-L2458 HydrophobicContact CD1-CD1 3.92Å; N2454-L2458 VanDerWaalsContact O-CB 3.22Å; N2454-L2458 WeakPolarHBondContact O-CB 3.2Å; N2454-L2458 PolarHBondContact O-N 2.96Å; F2456-L2458 VanDerWaalsContact C-N 3.26Å; F2456-L2458 PolarHBondContact O-N 3.04Å; L2458-V2462 HydrophobicContact CD1-CG2 4.41Å; L2458-V2462 WeakPolarHBondContact O-CB 3.46Å; L2458-V2462 WeakPolarHBondContact O-CG2 3.38Å; L2458-V2462 PolarHBondContact O-N 2.71Å; L2458-T2495 HydrophobicContact CD2-CG2 3.74Å; L2458-V2499 HydrophobicContact CD2-CG1 4.34Å; L2458-V2499 HydrophobicContact CD2-CG2 4.28Å; L2458-V2499 HydrophobicContact CG-CG1 4.09Å; L2458-V2499 HydrophobicContact CG-CG2 4.34Å |
| 2459 | E | 87.5 | Confident | 84.5 | Confident | 21 Ų | 21 | 39 Ų | 39 | 10% | 0.098 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 172.5 | -163.4 | -171.2 | 148.9 | 0 | 0 | 111.7 | E2455 F2456 V2462 R2463 V2499 S2502 | E2455-E2459 WeakPolarHBondContact O-CB 3.27Å; E2455-E2459 PolarHBondContact O-N 3.46Å; F2456-E2459 WeakPolarHBondContact O-CA 3.32Å; F2456-E2459 VanDerWaalsContact O-CB 3.31Å; F2456-E2459 WeakPolarHBondContact O-CB 3.45Å; F2456-E2459 PolarHBondContact O-N 3.13Å; F2456-E2459 VanDerWaalsContact O-N 3.09Å; E2459-V2462 PolarHBondContact O-N 3.09Å; E2459-R2463 WeakPolarHBondContact O-CG 3.19Å; E2459-R2463 PolarHBondContact O-N 3.2Å; E2459-R2463 IonicContact OE1-CZ 2.69Å; E2459-R2463 VanDerWaalsContact OE1-CZ 3.32Å; E2459-R2463 IonicContact OE1-NE 3.17Å; E2459-R2463 PolarHBondContact OE1-NE 2.82Å; E2459-R2463 VanDerWaalsContact OE1-NE 3.09Å; E2459-R2463 IonicContact OE1-NH2 2.69Å; E2459-R2463 PolarHBondContact OE1-NH2 3.27Å; E2459-V2499 HydrophobicContact CB-CG2 4.32Å; E2459-S2502 WeakPolarHBondContact CG-OG 3.36Å; E2459-S2502 PolarHBondContact OE1-OG 3.3Å; E2459-S2502 VanDerWaalsContact OE1-OG 3.13Å |
| 2460 | Q | 86.6 | Confident | 84.2 | Confident | 12 Ų | 12 | 37.9 Ų | 37.9 | 6% | 0.056 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.1 | -49.6 | 175.7 | -69.9 | -178.6 | -51.9 | 0 | 0 | 111.9 | E2374 L2377 F2456 E2457 V2462 R2463 A2464 | E2374-Q2460 PolarHBondContact OE1-NE2 2.74Å; E2374-Q2460 PolarHBondContact OE2-NE2 3.08Å; L2377-Q2460 HydrophobicContact CD2-CB 3.98Å; L2377-Q2460 HydrophobicContact CD2-CG 3.97Å; F2456-Q2460 HydrophobicContact CD1-CG 4.45Å; F2456-Q2460 VanDerWaalsContact CE1-CD 3.49Å; F2456-Q2460 HydrophobicContact CE1-CG 4.06Å; F2456-Q2460 HydrophobicContact CZ-CG 4.24Å; F2456-Q2460 WeakPolarHBondContact O-CG 3.36Å; F2456-Q2460 PolarHBondContact O-N 3.42Å; E2457-Q2460 PolarHBondContact O-N 3.33Å; Q2460-V2462 VanDerWaalsContact C-N 3.32Å; Q2460-V2462 PolarHBondContact O-N 3.19Å; Q2460-R2463 PolarHBondContact O-N 3.27Å; Q2460-A2464 PolarHBondContact O-N 3.35Å; Q2460-A2464 VanDerWaalsContact O-N 3.09Å |
| 2461 | A | 89.2 | Confident | 83.8 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.8 | -39.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A2373 L2423 I2427 L2453 E2457 A2464 | A2373-A2461 HydrophobicContact CB-CB 4.1Å; L2423-A2461 HydrophobicContact CD1-CB 4.07Å; I2427-A2461 HydrophobicContact CD1-CB 4.25Å; I2427-A2461 HydrophobicContact CG1-CB 3.92Å; L2453-A2461 HydrophobicContact CD1-CB 4.3Å; E2457-A2461 WeakPolarHBondContact O-CB 3.43Å; E2457-A2461 PolarHBondContact O-N 3.29Å; A2461-A2464 PolarHBondContact O-N 3.44Å |
| 2462 | V | 91 | Very high | 83.5 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.7 | -44.8 | 176.3 | 165.7 | 0 | 0 | 0 | 0 | 111.5 | I2427 L2458 E2459 Q2460 A2464 V2465 L2488 V2491 V2499 C2503 S2506 | I2427-V2462 HydrophobicContact CD1-CG2 4.25Å; L2458-V2462 HydrophobicContact CD1-CG2 4.41Å; L2458-V2462 WeakPolarHBondContact O-CB 3.46Å; L2458-V2462 WeakPolarHBondContact O-CG2 3.38Å; L2458-V2462 PolarHBondContact O-N 2.71Å; E2459-V2462 PolarHBondContact O-N 3.09Å; Q2460-V2462 VanDerWaalsContact C-N 3.32Å; Q2460-V2462 PolarHBondContact O-N 3.19Å; V2462-A2464 VanDerWaalsContact C-N 3.27Å; V2462-A2464 PolarHBondContact O-N 2.9Å; V2462-V2465 WeakPolarHBondContact O-CB 3.36Å; V2462-V2465 PolarHBondContact O-N 3.36Å; V2462-V2465 VanDerWaalsContact O-N 3.11Å; V2462-L2488 HydrophobicContact CG1-CD2 4.25Å; V2462-V2491 HydrophobicContact CG2-CG1 4.06Å; V2462-V2499 HydrophobicContact CB-CG1 4.24Å; V2462-V2499 HydrophobicContact CG1-CG1 4.42Å; V2462-V2499 HydrophobicContact CG2-CG1 3.8Å; V2462-C2503 HydrophobicContact CG1-CB 4.43Å; V2462-S2506 PolarHBondContact O-OG 3.09Å |
| 2463 | R | 88 | Confident | 83.1 | Confident | 51 Ų | 51 | 34 Ų | 34 | 19% | 0.192 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.8 | -41 | 175.6 | -71.9 | 167.1 | 178.5 | -110.1 | 9.4 | 112.1 | T2038 L2377 E2459 Q2460 V2465 G2466 I2467 S2502 | T2038-R2463 PolarHBondContact O-NH1 3.46Å; T2038-R2463 PolarHBondContact O-NH2 3.36Å; L2377-R2463 HydrophobicContact CD1-CB 4.01Å; E2459-R2463 WeakPolarHBondContact O-CG 3.19Å; E2459-R2463 PolarHBondContact O-N 3.2Å; E2459-R2463 IonicContact OE1-CZ 2.69Å; E2459-R2463 VanDerWaalsContact OE1-CZ 3.32Å; E2459-R2463 IonicContact OE1-NE 3.17Å; E2459-R2463 PolarHBondContact OE1-NE 2.82Å; E2459-R2463 VanDerWaalsContact OE1-NE 3.09Å; E2459-R2463 IonicContact OE1-NH2 2.69Å; E2459-R2463 PolarHBondContact OE1-NH2 3.27Å; Q2460-R2463 PolarHBondContact O-N 3.27Å; R2463-V2465 PolarHBondContact O-N 3.15Å; R2463-G2466 PolarHBondContact O-N 3.5Å; R2463-G2466 VanDerWaalsContact O-N 3.16Å; R2463-I2467 WeakPolarHBondContact O-CG1 3.38Å; R2463-I2467 PolarHBondContact O-N 2.95Å; R2463-S2502 WeakPolarHBondContact CG-OG 3.18Å; R2463-S2502 PolarHBondContact NE-OG 3.05Å; R2463-S2502 VanDerWaalsContact NE-OG 3.09Å |
| 2464 | A | 90 | Very high | 82.6 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.9 | -34 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F2376 L2377 A2380 L2423 Q2460 A2461 V2462 G2466 I2467 M2468 | F2376-A2464 HydrophobicContact CB-CB 4.27Å; L2377-A2464 HydrophobicContact CB-CB 4.35Å; L2377-A2464 HydrophobicContact CD1-CB 4.32Å; A2380-A2464 HydrophobicContact CB-CB 4.38Å; L2423-A2464 HydrophobicContact CD2-CB 3.81Å; Q2460-A2464 PolarHBondContact O-N 3.35Å; Q2460-A2464 VanDerWaalsContact O-N 3.09Å; A2461-A2464 PolarHBondContact O-N 3.44Å; V2462-A2464 VanDerWaalsContact C-N 3.27Å; V2462-A2464 PolarHBondContact O-N 2.9Å; A2464-G2466 VanDerWaalsContact C-N 3.33Å; A2464-G2466 PolarHBondContact O-N 2.94Å; A2464-I2467 PolarHBondContact O-N 2.77Å; A2464-M2468 VanDerWaalsContact O-CB 3.26Å; A2464-M2468 WeakPolarHBondContact O-CB 3.32Å; A2464-M2468 VanDerWaalsContact O-CG 3.24Å; A2464-M2468 WeakPolarHBondContact O-CG 3.42Å; A2464-M2468 PolarHBondContact O-N 2.98Å |
| 2465 | V | 89.7 | Confident | 81.8 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58 | -41.6 | 176.8 | 173.4 | 0 | 0 | 0 | 0 | 112.6 | L2420 L2423 F2424 I2427 V2462 R2463 T2484 L2487 | L2420-V2465 HydrophobicContact CD1-CG1 4.42Å; L2423-V2465 HydrophobicContact CD2-CB 4.49Å; L2423-V2465 HydrophobicContact CD2-CG2 3.66Å; L2423-V2465 HydrophobicContact CG-CG2 4.07Å; F2424-V2465 HydrophobicContact CD1-CG2 4.29Å; F2424-V2465 HydrophobicContact CE1-CG1 3.82Å; F2424-V2465 HydrophobicContact CE1-CG2 4.01Å; F2424-V2465 HydrophobicContact CZ-CG1 4.47Å; I2427-V2465 HydrophobicContact CD1-CG2 3.72Å; V2462-V2465 WeakPolarHBondContact O-CB 3.36Å; V2462-V2465 PolarHBondContact O-N 3.36Å; V2462-V2465 VanDerWaalsContact O-N 3.11Å; R2463-V2465 PolarHBondContact O-N 3.15Å; V2465-T2484 HydrophobicContact CG1-CG2 3.58Å; V2465-L2487 HydrophobicContact CG2-CD2 4.48Å |
| 2466 | G | 85.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -76.1 | -38 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R2463 A2464 W2469 | R2463-G2466 PolarHBondContact O-N 3.5Å; R2463-G2466 VanDerWaalsContact O-N 3.16Å; A2464-G2466 VanDerWaalsContact C-N 3.33Å; A2464-G2466 PolarHBondContact O-N 2.94Å; G2466-W2469 WeakPolarHBondContact O-CB 3.36Å; G2466-W2469 PolarHBondContact O-N 3.04Å |
| 2467 | I | 86 | Confident | 80.6 | Confident | 41 Ų | 41 | 38.6 Ų | 38.6 | 21% | 0.21 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -72.8 | -40.8 | -178.7 | -59.8 | 168.8 | 0 | 0 | 0 | 110.5 | L2377 A2380 E2384 R2463 A2464 W2469 K2513 | L2377-I2467 HydrophobicContact CD1-CD1 3.9Å; A2380-I2467 VanDerWaalsContact C-CG2 3.45Å; A2380-I2467 HydrophobicContact CB-CB 3.84Å; A2380-I2467 HydrophobicContact CB-CG2 3.65Å; A2380-I2467 WeakPolarHBondContact O-CG2 3.41Å; E2384-I2467 HydrophobicContact CB-CG2 4.07Å; R2463-I2467 WeakPolarHBondContact O-CG1 3.38Å; R2463-I2467 PolarHBondContact O-N 2.95Å; A2464-I2467 PolarHBondContact O-N 2.77Å; I2467-W2469 PolarHBondContact O-N 3.28Å; I2467-W2469 VanDerWaalsContact O-N 3.09Å; I2467-K2513 PolarHBondContact O-NZ 3.23Å |
| 2468 | M | 86.6 | Confident | 79.9 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -10.7 | 174.6 | -72.8 | -176 | 70.6 | 0 | 0 | 114.1 | F2376 A2380 A2390 R2419 L2423 A2464 | F2376-M2468 HydrophobicContact CD1-SD 4.18Å; A2380-M2468 HydrophobicContact CB-CG 3.5Å; A2380-M2468 VanDerWaalsContact CB-CG 3.5Å; A2390-M2468 HydrophobicContact CB-CB 4.28Å; A2390-M2468 HydrophobicContact CB-CE 3.95Å; A2390-M2468 HydrophobicContact CB-CG 4.07Å; R2419-M2468 HydrophobicContact CB-CE 3.9Å; L2423-M2468 HydrophobicContact CD2-SD 3.76Å; A2464-M2468 VanDerWaalsContact O-CB 3.26Å; A2464-M2468 WeakPolarHBondContact O-CB 3.32Å; A2464-M2468 VanDerWaalsContact O-CG 3.24Å; A2464-M2468 WeakPolarHBondContact O-CG 3.42Å; A2464-M2468 PolarHBondContact O-N 2.98Å |
| 2469 | W | 83.8 | Confident | 79.2 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -66 | 129.4 | 176.6 | -161.1 | -94.8 | 0 | 0 | 0 | 110.2 | L2420 G2466 I2467 H2477 R2480 F2481 T2484 I2510 K2513 | L2420-W2469 HydrophobicContact CD2-CE3 4.38Å; L2420-W2469 HydrophobicContact CD2-CZ3 4.1Å; G2466-W2469 WeakPolarHBondContact O-CB 3.36Å; G2466-W2469 PolarHBondContact O-N 3.04Å; I2467-W2469 PolarHBondContact O-N 3.28Å; I2467-W2469 VanDerWaalsContact O-N 3.09Å; W2469-H2477 WeakPolarHBondContact CH2-O 3.29Å; W2469-R2480 HydrophobicContact CH2-CB 4.06Å; W2469-R2480 HydrophobicContact CZ3-CB 4.41Å; W2469-F2481 HydrophobicContact CH2-CB 4.33Å; W2469-F2481 HydrophobicContact CZ2-CB 4.33Å; W2469-T2484 WeakPolarHBondContact CZ3-OG1 3.2Å; W2469-I2510 HydrophobicContact CB-CG1 3.85Å; W2469-I2510 HydrophobicContact CD2-CG1 4.03Å; W2469-I2510 HydrophobicContact CD2-CG2 4.06Å; W2469-I2510 HydrophobicContact CE3-CG1 4.35Å; W2469-I2510 HydrophobicContact CG-CB 4.3Å; W2469-I2510 HydrophobicContact CG-CG1 3.8Å; W2469-I2510 HydrophobicContact CG-CG2 4.16Å; W2469-K2513 HydrophobicContact CB-CD 4.39Å; W2469-K2513 WeakPolarHBondContact O-CD 3.45Å; W2469-K2513 WeakPolarHBondContact O-CE 3.48Å; W2469-K2513 PolarHBondContact O-NZ 3.3Å |
| 2470 | P | 74.9 | Confident | 78.8 | Confident | 8 Ų | 8 | 45.4 Ų | 45.4 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | trans | -74.8 | 147.6 | -171.1 | 25.6 | -32.1 | 0 | 0 | 0 | 112.4 | D2389 I2391 V2473 H2477 | D2389-P2470 WeakPolarHBondContact OD2-CB 3.38Å; I2391-P2470 HydrophobicContact CD1-CG 4.24Å; P2470-V2473 WeakPolarHBondContact O-CG2 3.13Å; P2470-H2477 WeakPolarHBondContact CG-ND1 3.26Å | ||
| 2471 | L | 71 | Confident | 78.7 | Confident | 89 Ų | 89 | 44.8 Ų | 44.8 | 47% | 0.466 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -67.8 | -39.5 | 173.1 | -68.7 | 159.3 | 0 | 0 | 0 | 111.2 | V2473 K2513 | L2471-V2473 PolarHBondContact O-N 3.16Å; L2471-K2513 HydrophobicContact CD2-CD 4.19Å; L2471-K2513 HydrophobicContact CD2-CG 4.03Å |
| 2472 | N | 70.9 | Confident | 78.3 | Confident | 138 Ų | 138 | 45.8 Ų | 45.8 | 74% | 0.738 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -99.9 | 77.1 | 178.6 | -70.5 | -39.1 | 0 | 0 | 0 | 110.7 | T2474 | N2472-T2474 PolarHBondContact O-N 2.67Š|
| 2473 | V | 67.8 | Low | 78 | Confident | 13 Ų | 13 | 49 Ų | 49 | 8% | 0.079 | 24% | 0.239 | C | C | . | . | trans | -65 | 113 | -175.9 | -168.4 | 0 | 0 | 0 | 0 | 111.7 | P2470 L2471 H2477 L2478 L2514 Q2518 | P2470-V2473 WeakPolarHBondContact O-CG2 3.13Å; L2471-V2473 PolarHBondContact O-N 3.16Å; V2473-H2477 HydrophobicContact CG1-CB 3.66Å; V2473-L2478 HydrophobicContact CG1-CD2 3.64Å; V2473-L2478 HydrophobicContact CG1-CG 4.42Å; V2473-L2514 HydrophobicContact CG1-CD2 4.46Å; V2473-L2514 HydrophobicContact CG2-CD2 4.3Å; V2473-Q2518 PolarHBondContact O-NE2 3.39Å | ||
| 2474 | T | 70.9 | Confident | 78 | Confident | 61 Ų | 61 | 46.6 Ų | 46.6 | 37% | 0.374 | 23% | 0.23 | S | C | . | . | trans | -78.4 | 167.2 | 175.5 | 74.8 | 0 | 0 | 0 | 0 | 111.7 | N2472 E2476 H2477 L2478 | N2472-T2474 PolarHBondContact O-N 2.67Å; T2474-E2476 PolarHBondContact O-N 2.91Å; T2474-E2476 PolarHBondContact OG1-N 2.74Å; T2474-H2477 PolarHBondContact O-N 2.6Å; T2474-H2477 VanDerWaalsContact O-N 3.08Å; T2474-H2477 PolarHBondContact OG1-CD2 3Å; T2474-H2477 PolarHBondContact OG1-CE1 2.93Å; T2474-H2477 VanDerWaalsContact OG1-CG 3.23Å; T2474-H2477 PolarHBondContact OG1-N 2.83Å; T2474-H2477 PolarHBondContact OG1-ND1 3.34Å; T2474-H2477 PolarHBondContact OG1-NE2 2.9Å; T2474-L2478 PolarHBondContact O-N 2.85Å | ||
| 2475 | K | 66.7 | Low | 77.9 | Confident | 154 Ų | 154 | 46.8 Ų | 46.8 | 67% | 0.67 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -58.5 | -33.2 | 176.8 | -74.2 | -173.1 | 173.7 | -177.4 | 0 | 113.5 | L2478 H2479 | K2475-L2478 WeakPolarHBondContact O-CB 3.26Å; K2475-L2478 PolarHBondContact O-N 3.32Å; K2475-H2479 PolarHBondContact O-CD2 3.31Å |
| 2476 | E | 66.2 | Low | 77.6 | Confident | 150 Ų | 150 | 48.3 Ų | 48.3 | 70% | 0.701 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -68.9 | -36.7 | 177.4 | -63.8 | 175.4 | -167.2 | 0 | 0 | 111.3 | T2474 L2478 H2479 | T2474-E2476 PolarHBondContact O-N 2.91Å; T2474-E2476 PolarHBondContact OG1-N 2.74Å; E2476-L2478 VanDerWaalsContact C-N 3.31Å; E2476-L2478 PolarHBondContact O-N 2.93Å; E2476-H2479 PolarHBondContact O-N 3.38Å |
| 2477 | H | 69 | Low | 77.7 | Confident | 16 Ų | 16 | 48.4 Ų | 48.4 | 7% | 0.074 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -70.5 | -27.2 | 178.3 | -55 | 165 | 0 | 0 | 0 | 112.1 | D2389 W2469 P2470 V2473 T2474 H2479 R2480 F2481 | D2389-H2477 IonicContact OD2-CE1 3.56Å; D2389-H2477 PolarHBondContact OD2-CE1 3.21Å; D2389-H2477 IonicContact OD2-ND1 2.91Å; W2469-H2477 WeakPolarHBondContact CH2-O 3.29Å; P2470-H2477 WeakPolarHBondContact CG-ND1 3.26Å; V2473-H2477 HydrophobicContact CG1-CB 3.66Å; T2474-H2477 PolarHBondContact O-N 2.6Å; T2474-H2477 VanDerWaalsContact O-N 3.08Å; T2474-H2477 PolarHBondContact OG1-CD2 3Å; T2474-H2477 PolarHBondContact OG1-CE1 2.93Å; T2474-H2477 VanDerWaalsContact OG1-CG 3.23Å; T2474-H2477 PolarHBondContact OG1-N 2.83Å; T2474-H2477 PolarHBondContact OG1-ND1 3.34Å; T2474-H2477 PolarHBondContact OG1-NE2 2.9Å; H2477-H2479 VanDerWaalsContact C-N 3.3Å; H2477-H2479 PolarHBondContact O-N 2.91Å; H2477-R2480 PolarHBondContact O-N 3.29Å; H2477-F2481 PolarHBondContact O-N 3.37Å |
| 2478 | L | 69.5 | Low | 77.9 | Confident | 19 Ų | 19 | 46.5 Ų | 46.5 | 10% | 0.099 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.9 | -36.8 | 173.5 | -56.8 | -179.7 | 0 | 0 | 0 | 112.4 | V2473 T2474 K2475 E2476 F2481 Q2518 H2521 I2522 | V2473-L2478 HydrophobicContact CG1-CD2 3.64Å; V2473-L2478 HydrophobicContact CG1-CG 4.42Å; T2474-L2478 PolarHBondContact O-N 2.85Å; K2475-L2478 WeakPolarHBondContact O-CB 3.26Å; K2475-L2478 PolarHBondContact O-N 3.32Å; E2476-L2478 VanDerWaalsContact C-N 3.31Å; E2476-L2478 PolarHBondContact O-N 2.93Å; L2478-F2481 WeakPolarHBondContact O-CB 3.3Å; L2478-F2481 PolarHBondContact O-N 3.32Å; L2478-Q2518 HydrophobicContact CD2-CB 3.99Å; L2478-Q2518 HydrophobicContact CD2-CG 4.24Å; L2478-H2521 HydrophobicContact CD1-CB 4.37Å; L2478-I2522 HydrophobicContact CB-CG1 3.95Å; L2478-I2522 HydrophobicContact CD2-CD1 3.86Å; L2478-I2522 HydrophobicContact CD2-CG1 3.85Å; L2478-I2522 HydrophobicContact CG-CG1 4.34Å |
| 2479 | H | 71.1 | Confident | 78 | Confident | 135 Ų | 135 | 46.7 Ų | 46.7 | 63% | 0.625 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -68.8 | -34.4 | 176.3 | -74.5 | -80.4 | 0 | 0 | 0 | 112.4 | K2475 E2476 H2477 F2481 | K2475-H2479 PolarHBondContact O-CD2 3.31Å; E2476-H2479 PolarHBondContact O-N 3.38Å; H2477-H2479 VanDerWaalsContact C-N 3.3Å; H2477-H2479 PolarHBondContact O-N 2.91Å; H2479-F2481 VanDerWaalsContact C-N 3.28Å; H2479-F2481 PolarHBondContact O-N 3.24Å |
| 2480 | R | 80 | Confident | 78.1 | Confident | 61 Ų | 61 | 47.4 Ų | 47.4 | 23% | 0.23 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.7 | -19.1 | 178.5 | -70.1 | 173.4 | 171 | -109 | 1.7 | 113.8 | D2418 T2421 W2469 H2477 A2482 E2483 T2484 | D2418-R2480 VanDerWaalsContact CG-NH2 3.26Å; D2418-R2480 IonicContact OD1-CZ 2.76Å; D2418-R2480 VanDerWaalsContact OD1-CZ 3.31Å; D2418-R2480 IonicContact OD1-NH1 2.87Å; D2418-R2480 PolarHBondContact OD1-NH1 3.47Å; D2418-R2480 IonicContact OD1-NH2 3.18Å; D2418-R2480 PolarHBondContact OD1-NH2 3.33Å; D2418-R2480 IonicContact OD2-CZ 3.84Å; D2418-R2480 IonicContact OD2-NH1 3.31Å; D2418-R2480 PolarHBondContact OD2-NH1 2.9Å; D2418-R2480 IonicContact OD2-NH2 3.9Å; T2421-R2480 PolarHBondContact OG1-NH1 3.06Å; W2469-R2480 HydrophobicContact CH2-CB 4.06Å; W2469-R2480 HydrophobicContact CZ3-CB 4.41Å; H2477-R2480 PolarHBondContact O-N 3.29Å; R2480-A2482 VanDerWaalsContact C-N 3.32Å; R2480-A2482 PolarHBondContact O-N 3.2Å; R2480-E2483 PolarHBondContact O-N 3.43Å; R2480-E2483 VanDerWaalsContact O-N 3.11Å; R2480-T2484 PolarHBondContact O-N 3.1Å; R2480-T2484 PolarHBondContact O-OG1 3.45Å |
| 2481 | F | 84.4 | Confident | 78.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.1 | -46.5 | 179.7 | 174.9 | -99.5 | 0 | 0 | 0 | 112.1 | W2469 H2477 L2478 H2479 E2483 T2484 I2485 I2510 L2514 I2522 L2537 F2575 | W2469-F2481 HydrophobicContact CH2-CB 4.33Å; W2469-F2481 HydrophobicContact CZ2-CB 4.33Å; H2477-F2481 PolarHBondContact O-N 3.37Å; L2478-F2481 WeakPolarHBondContact O-CB 3.3Å; L2478-F2481 PolarHBondContact O-N 3.32Å; H2479-F2481 VanDerWaalsContact C-N 3.28Å; H2479-F2481 PolarHBondContact O-N 3.24Å; F2481-E2483 VanDerWaalsContact C-N 3.35Å; F2481-E2483 PolarHBondContact O-N 2.93Å; F2481-T2484 PolarHBondContact O-N 3.2Å; F2481-I2485 HydrophobicContact CD1-CG1 4.43Å; F2481-I2485 HydrophobicContact CD2-CG1 4.38Å; F2481-I2485 HydrophobicContact CE1-CG1 4.03Å; F2481-I2485 HydrophobicContact CE2-CD1 4.2Å; F2481-I2485 HydrophobicContact CE2-CG1 3.96Å; F2481-I2485 HydrophobicContact CZ-CD1 4.18Å; F2481-I2485 HydrophobicContact CZ-CG1 3.78Å; F2481-I2485 WeakPolarHBondContact O-CG1 3.5Å; F2481-I2485 PolarHBondContact O-N 3.26Å; F2481-I2510 HydrophobicContact CD2-CG2 3.79Å; F2481-I2510 HydrophobicContact CE2-CG2 3.78Å; F2481-L2514 HydrophobicContact CD2-CD1 3.85Å; F2481-L2514 HydrophobicContact CE2-CD1 3.62Å; F2481-L2514 HydrophobicContact CZ-CD1 4.41Å; F2481-I2522 HydrophobicContact CB-CD1 4.24Å; F2481-I2522 HydrophobicContact CD1-CD1 4.31Å; F2481-I2522 HydrophobicContact CD1-CG2 3.97Å; F2481-I2522 HydrophobicContact CE1-CG2 4.42Å; F2481-I2522 HydrophobicContact CG-CD1 4.14Å; F2481-L2537 HydrophobicContact CD1-CD2 4.41Å; F2481-F2575 HydrophobicContact CE1-CE1 4.3Å; F2481-F2575 HydrophobicContact CE1-CE2 4.48Å; F2481-F2575 AromaticContact CE1-CZ 3.79Å; F2481-F2575 HydrophobicContact CE1-CZ 3.79Å; F2481-F2575 HydrophobicContact CZ-CE2 4.07Å; F2481-F2575 AromaticContact CZ-CZ 3.82Å; F2481-F2575 HydrophobicContact CZ-CZ 3.82Å |
| 2482 | A | 81.3 | Confident | 79.5 | Confident | 20 Ų | 20 | 43.1 Ų | 43.1 | 17% | 0.165 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.3 | -42.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R2480 I2485 I2486 L2537 | R2480-A2482 VanDerWaalsContact C-N 3.32Å; R2480-A2482 PolarHBondContact O-N 3.2Å; A2482-I2485 PolarHBondContact O-N 3.21Å; A2482-I2486 WeakPolarHBondContact O-CB 3.46Å; A2482-I2486 WeakPolarHBondContact O-CD1 3.5Å; A2482-I2486 WeakPolarHBondContact O-CG1 3.46Å; A2482-I2486 PolarHBondContact O-N 3.33Å; A2482-L2537 HydrophobicContact CB-CD2 4.35Å |
| 2483 | E | 83.9 | Confident | 80.1 | Confident | 70 Ų | 70 | 40.7 Ų | 40.7 | 33% | 0.327 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -63.6 | -43 | 178.7 | -58.1 | -156.1 | 112.6 | 0 | 0 | 112.4 | W2431 R2480 F2481 I2486 L2487 | W2431-E2483 HydrophobicContact CZ2-CB 4.49Å; R2480-E2483 PolarHBondContact O-N 3.43Å; R2480-E2483 VanDerWaalsContact O-N 3.11Å; F2481-E2483 VanDerWaalsContact C-N 3.35Å; F2481-E2483 PolarHBondContact O-N 2.93Å; E2483-I2486 CarbonylContact O-C 3.52Å; E2483-I2486 PolarHBondContact O-N 3.38Å; E2483-L2487 PolarHBondContact O-N 3.21Å |
| 2484 | T | 87.3 | Confident | 80.8 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.7 | -43.5 | 177.6 | -50.4 | 0 | 0 | 0 | 0 | 111.7 | F2424 V2465 W2469 R2480 F2481 I2486 L2487 L2488 I2510 | F2424-T2484 HydrophobicContact CZ-CG2 4.11Å; V2465-T2484 HydrophobicContact CG1-CG2 3.58Å; W2469-T2484 WeakPolarHBondContact CZ3-OG1 3.2Å; R2480-T2484 PolarHBondContact O-N 3.1Å; R2480-T2484 PolarHBondContact O-OG1 3.45Å; F2481-T2484 PolarHBondContact O-N 3.2Å; T2484-I2486 VanDerWaalsContact C-N 3.32Å; T2484-I2486 PolarHBondContact O-N 2.9Å; T2484-L2487 WeakPolarHBondContact O-CB 3.48Å; T2484-L2487 PolarHBondContact O-N 3.47Å; T2484-L2488 WeakPolarHBondContact O-CG 3.24Å; T2484-L2488 PolarHBondContact O-N 3.06Å; T2484-I2510 HydrophobicContact CG2-CD1 3.6Å |
| 2485 | I | 88.3 | Confident | 81.6 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.2 | -37.9 | 174.5 | -66 | -63 | 0 | 0 | 0 | 110.9 | F2481 A2482 N2489 F2542 | F2481-I2485 HydrophobicContact CD1-CG1 4.43Å; F2481-I2485 HydrophobicContact CD2-CG1 4.38Å; F2481-I2485 HydrophobicContact CE1-CG1 4.03Å; F2481-I2485 HydrophobicContact CE2-CD1 4.2Å; F2481-I2485 HydrophobicContact CE2-CG1 3.96Å; F2481-I2485 HydrophobicContact CZ-CD1 4.18Å; F2481-I2485 HydrophobicContact CZ-CG1 3.78Å; F2481-I2485 WeakPolarHBondContact O-CG1 3.5Å; F2481-I2485 PolarHBondContact O-N 3.26Å; A2482-I2485 PolarHBondContact O-N 3.21Å; I2485-N2489 WeakPolarHBondContact O-CB 3.5Å; I2485-N2489 PolarHBondContact O-N 3.31Å; I2485-N2489 PolarHBondContact O-ND2 3.09Å; I2485-F2542 HydrophobicContact CG2-CB 4.16Å; I2485-F2542 HydrophobicContact CG2-CG 4.43Å |
| 2486 | I | 84.3 | Confident | 82.5 | Confident | 33 Ų | 33 | 36.5 Ų | 36.5 | 17% | 0.169 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.3 | -34.9 | 174.7 | -68.4 | 163.4 | 0 | 0 | 0 | 111.8 | W2431 L2444 A2482 E2483 T2484 N2489 S2490 | W2431-I2486 HydrophobicContact CH2-CG2 4.27Å; L2444-I2486 HydrophobicContact CD2-CG2 3.9Å; A2482-I2486 WeakPolarHBondContact O-CB 3.46Å; A2482-I2486 WeakPolarHBondContact O-CD1 3.5Å; A2482-I2486 WeakPolarHBondContact O-CG1 3.46Å; A2482-I2486 PolarHBondContact O-N 3.33Å; E2483-I2486 CarbonylContact O-C 3.52Å; E2483-I2486 PolarHBondContact O-N 3.38Å; T2484-I2486 VanDerWaalsContact C-N 3.32Å; T2484-I2486 PolarHBondContact O-N 2.9Å; I2486-N2489 WeakPolarHBondContact O-CB 3.28Å; I2486-S2490 PolarHBondContact O-N 2.86Å |
| 2487 | L | 88.5 | Confident | 83.4 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.3 | -56.1 | 173.2 | 179.3 | 73.2 | 0 | 0 | 0 | 111.1 | F2424 I2428 W2431 V2465 E2483 T2484 N2489 S2490 V2491 | F2424-L2487 HydrophobicContact CB-CD2 4.28Å; F2424-L2487 HydrophobicContact CD1-CD2 3.22Å; F2424-L2487 HydrophobicContact CD2-CD2 4.19Å; F2424-L2487 HydrophobicContact CE1-CD2 3.37Å; F2424-L2487 HydrophobicContact CE2-CD2 4.31Å; F2424-L2487 HydrophobicContact CG-CD2 3.66Å; F2424-L2487 HydrophobicContact CZ-CD2 3.92Å; I2428-L2487 HydrophobicContact CD1-CD1 3.67Å; I2428-L2487 HydrophobicContact CG1-CD1 3.94Å; W2431-L2487 HydrophobicContact CD2-CD1 4.19Å; W2431-L2487 HydrophobicContact CE3-CD1 3.69Å; W2431-L2487 HydrophobicContact CH2-CB 3.62Å; W2431-L2487 HydrophobicContact CH2-CD1 3.94Å; W2431-L2487 HydrophobicContact CH2-CG 4.41Å; W2431-L2487 HydrophobicContact CZ2-CB 4.04Å; W2431-L2487 HydrophobicContact CZ2-CD1 4.4Å; W2431-L2487 HydrophobicContact CZ3-CB 4.1Å; W2431-L2487 HydrophobicContact CZ3-CD1 3.56Å; W2431-L2487 HydrophobicContact CZ3-CG 4.46Å; V2465-L2487 HydrophobicContact CG2-CD2 4.48Å; E2483-L2487 PolarHBondContact O-N 3.21Å; T2484-L2487 WeakPolarHBondContact O-CB 3.48Å; T2484-L2487 PolarHBondContact O-N 3.47Å; L2487-N2489 PolarHBondContact O-N 2.9Å; L2487-S2490 WeakPolarHBondContact O-CA 3.38Å; L2487-S2490 WeakPolarHBondContact O-CB 3.48Å; L2487-S2490 PolarHBondContact O-N 2.93Å; L2487-V2491 WeakPolarHBondContact O-CG2 3.41Å; L2487-V2491 PolarHBondContact O-N 3.39Å |
| 2488 | L | 90.4 | Very high | 84.1 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.6 | -39.3 | 179.6 | -66 | 177.4 | 0 | 0 | 0 | 110.9 | V2462 T2484 S2490 V2491 M2492 C2503 A2507 I2510 | V2462-L2488 HydrophobicContact CG1-CD2 4.25Å; T2484-L2488 WeakPolarHBondContact O-CG 3.24Å; T2484-L2488 PolarHBondContact O-N 3.06Å; L2488-S2490 PolarHBondContact O-N 3.48Å; L2488-V2491 PolarHBondContact O-N 2.88Å; L2488-M2492 WeakPolarHBondContact O-CB 3.45Å; L2488-M2492 WeakPolarHBondContact O-CG 3.37Å; L2488-M2492 PolarHBondContact O-N 3.42Å; L2488-C2503 HydrophobicContact CD2-CB 4.28Å; L2488-A2507 HydrophobicContact CD1-CB 4.15Å; L2488-I2510 HydrophobicContact CD1-CD1 4.29Å |
| 2489 | N | 88.6 | Confident | 85 | Confident | 6 Ų | 6 | 37 Ų | 37 | 3% | 0.032 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -53.8 | -49.6 | 169.1 | -94.9 | -46.6 | 0 | 0 | 0 | 112.7 | I2485 I2486 L2487 T2493 G2538 F2542 K2545 | I2485-N2489 WeakPolarHBondContact O-CB 3.5Å; I2485-N2489 PolarHBondContact O-N 3.31Å; I2485-N2489 PolarHBondContact O-ND2 3.09Å; I2486-N2489 WeakPolarHBondContact O-CB 3.28Å; L2487-N2489 PolarHBondContact O-N 2.9Å; N2489-T2493 PolarHBondContact O-N 3.07Å; N2489-T2493 PolarHBondContact O-OG1 3.3Å; N2489-G2538 PolarHBondContact ND2-O 3.46Å; N2489-F2542 WeakPolarHBondContact OD1-CA 3.49Å; N2489-F2542 PolarHBondContact OD1-N 3.06Å; N2489-F2542 VanDerWaalsContact OD1-N 3.17Å; N2489-K2545 VanDerWaalsContact C-NZ 3.3Å; N2489-K2545 PolarHBondContact O-NZ 2.82Å; N2489-K2545 WeakPolarHBondContact OD1-CD 3.39Å; N2489-K2545 PolarHBondContact OD1-NZ 3.3Å |
| 2490 | S | 85.5 | Confident | 85.9 | Confident | 17 Ų | 17 | 32.3 Ų | 32.3 | 12% | 0.119 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.3 | -41.8 | -178.8 | -165.4 | 0 | 0 | 0 | 0 | 111.9 | I2486 L2487 L2488 T2493 | I2486-S2490 PolarHBondContact O-N 2.86Å; L2487-S2490 WeakPolarHBondContact O-CA 3.38Å; L2487-S2490 WeakPolarHBondContact O-CB 3.48Å; L2487-S2490 PolarHBondContact O-N 2.93Å; L2488-S2490 PolarHBondContact O-N 3.48Å; S2490-T2493 PolarHBondContact O-N 3.32Å; S2490-T2493 PolarHBondContact O-OG1 3.14Å |
| 2491 | V | 88.3 | Confident | 86.3 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.9 | -52.5 | 176.8 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | I2427 L2449 V2462 L2487 L2488 T2493 Q2494 T2495 V2499 | I2427-V2491 HydrophobicContact CG2-CG2 3.77Å; L2449-V2491 HydrophobicContact CD2-CG1 4.34Å; L2449-V2491 HydrophobicContact CD2-CG2 4.07Å; V2462-V2491 HydrophobicContact CG2-CG1 4.06Å; L2487-V2491 WeakPolarHBondContact O-CG2 3.41Å; L2487-V2491 PolarHBondContact O-N 3.39Å; L2488-V2491 PolarHBondContact O-N 2.88Å; V2491-T2493 PolarHBondContact O-N 3.06Å; V2491-Q2494 PolarHBondContact O-N 3.37Å; V2491-T2495 HydrophobicContact CG1-CG2 3.59Å; V2491-T2495 WeakPolarHBondContact O-CG2 3.44Å; V2491-T2495 PolarHBondContact O-N 3.03Å; V2491-T2495 PolarHBondContact O-OG1 3.41Å; V2491-V2499 HydrophobicContact CG1-CG1 3.78Å |
| 2492 | M | 87.6 | Confident | 86.5 | Confident | 6 Ų | 6 | 30.1 Ų | 30.1 | 3% | 0.03 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.9 | -26.2 | -179 | -74 | -176.1 | 77.5 | 0 | 0 | 114.1 | L2488 Q2500 C2503 L2504 F2542 K2545 | L2488-M2492 WeakPolarHBondContact O-CB 3.45Å; L2488-M2492 WeakPolarHBondContact O-CG 3.37Å; L2488-M2492 PolarHBondContact O-N 3.42Å; M2492-Q2500 HydrophobicContact CB-CG 4.35Å; M2492-Q2500 HydrophobicContact CE-CB 4.47Å; M2492-Q2500 HydrophobicContact CG-CG 4.34Å; M2492-Q2500 PolarHBondContact O-NE2 3.36Å; M2492-C2503 HydrophobicContact CG-CB 3.42Å; M2492-C2503 VanDerWaalsContact CG-CB 3.42Å; M2492-C2503 HydrophobicContact SD-CB 3.85Å; M2492-L2504 HydrophobicContact CE-CD1 4.3Å; M2492-L2504 HydrophobicContact CE-CD2 3.99Å; M2492-L2504 HydrophobicContact CE-CG 3.95Å; M2492-L2504 HydrophobicContact SD-CD2 4.4Å; M2492-F2542 HydrophobicContact SD-CE2 4.16Å; M2492-K2545 HydrophobicContact CB-CD 4.44Å |
| 2493 | T | 83 | Confident | 87.1 | Confident | 87 Ų | 87 | 29.1 Ų | 29.1 | 53% | 0.534 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -14.7 | 175.9 | 20.3 | 0 | 0 | 0 | 0 | 115.4 | N2489 S2490 V2491 K2545 | N2489-T2493 PolarHBondContact O-N 3.07Å; N2489-T2493 PolarHBondContact O-OG1 3.3Å; S2490-T2493 PolarHBondContact O-N 3.32Å; S2490-T2493 PolarHBondContact O-OG1 3.14Å; V2491-T2493 PolarHBondContact O-N 3.06Å; T2493-K2545 HydrophobicContact CG2-CD 4.17Å |
| 2494 | Q | 82.8 | Confident | 87.4 | Confident | 87 Ų | 87 | 25.8 Ų | 25.8 | 41% | 0.407 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | -11.8 | -172.8 | -66.4 | 179.8 | 26.1 | 0 | 0 | 114.1 | L2447 L2449 V2491 | L2447-Q2494 PolarHBondContact O-NE2 2.82Å; L2449-Q2494 HydrophobicContact CD1-CB 3.58Å; L2449-Q2494 HydrophobicContact CG-CB 4.18Å; V2491-Q2494 PolarHBondContact O-N 3.37Å |
| 2495 | T | 86.4 | Confident | 87.5 | Confident | 20 Ų | 20 | 27.2 Ų | 27.2 | 12% | 0.123 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -105.5 | 163.9 | -173.6 | 62.5 | 0 | 0 | 0 | 0 | 114.9 | L2449 L2458 V2491 V2499 Q2500 | L2449-T2495 HydrophobicContact CD1-CG2 3.56Å; L2458-T2495 HydrophobicContact CD2-CG2 3.74Å; V2491-T2495 HydrophobicContact CG1-CG2 3.59Å; V2491-T2495 WeakPolarHBondContact O-CG2 3.44Å; V2491-T2495 PolarHBondContact O-N 3.03Å; V2491-T2495 PolarHBondContact O-OG1 3.41Å; T2495-V2499 HydrophobicContact CG2-CB 3.98Å; T2495-V2499 HydrophobicContact CG2-CG1 3.9Å; T2495-V2499 HydrophobicContact CG2-CG2 4.39Å; T2495-Q2500 PolarHBondContact O-NE2 2.9Å |
| 2496 | G | 86.2 | Confident | 87.7 | Confident | 34 Ų | 34 | 27.2 Ų | 27.2 | 35% | 0.351 | 15% | 0.151 | S | C | . | . | trans | -68.1 | 179 | 166.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E2455 H2498 Q2500 | E2455-G2496 VanDerWaalsContact OE1-CA 3.26Å; E2455-G2496 WeakPolarHBondContact OE1-CA 3.42Å; G2496-H2498 VanDerWaalsContact C-N 3.32Å; G2496-H2498 PolarHBondContact O-N 3.48Å; G2496-Q2500 WeakPolarHBondContact O-CG 3.43Å; G2496-Q2500 PolarHBondContact O-N 2.84Å; G2496-Q2500 VanDerWaalsContact O-N 3.16Å | ||
| 2497 | K | 85.3 | Confident | 88 | Confident | 80 Ų | 80 | 25.6 Ų | 25.6 | 35% | 0.348 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -63.8 | -33.6 | -170.3 | -57.4 | 177.9 | -169.2 | 164.3 | 0 | 113.2 | Q2500 I2501 K2554 | K2497-Q2500 WeakPolarHBondContact O-CB 3.37Å; K2497-Q2500 PolarHBondContact O-N 3.04Å; K2497-I2501 WeakPolarHBondContact O-CD1 3.35Å; K2497-I2501 WeakPolarHBondContact O-CG1 3.4Å; K2497-I2501 PolarHBondContact O-N 3.47Å; K2497-K2554 PolarHBondContact NZ-O 3.5Å |
| 2498 | H | 83.8 | Confident | 88.1 | Confident | 116 Ų | 116 | 27.4 Ų | 27.4 | 54% | 0.537 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -70.2 | -44.6 | -175.2 | -74.2 | -93.6 | 0 | 0 | 0 | 111.4 | G2496 Q2500 I2501 S2502 | G2496-H2498 VanDerWaalsContact C-N 3.32Å; G2496-H2498 PolarHBondContact O-N 3.48Å; H2498-Q2500 VanDerWaalsContact C-N 3.33Å; H2498-Q2500 PolarHBondContact O-N 3.3Å; H2498-I2501 WeakPolarHBondContact O-CB 3.48Å; H2498-I2501 PolarHBondContact O-N 2.93Å; H2498-S2502 PolarHBondContact O-N 3.25Å |
| 2499 | V | 88.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.3 | -32 | 173.1 | -166.9 | 0 | 0 | 0 | 0 | 111.4 | E2455 L2458 E2459 V2462 V2491 T2495 S2502 C2503 | E2455-V2499 HydrophobicContact CG-CG2 3.55Å; E2455-V2499 WeakPolarHBondContact O-CG2 3.42Å; L2458-V2499 HydrophobicContact CD2-CG1 4.34Å; L2458-V2499 HydrophobicContact CD2-CG2 4.28Å; L2458-V2499 HydrophobicContact CG-CG1 4.09Å; L2458-V2499 HydrophobicContact CG-CG2 4.34Å; E2459-V2499 HydrophobicContact CB-CG2 4.32Å; V2462-V2499 HydrophobicContact CB-CG1 4.24Å; V2462-V2499 HydrophobicContact CG1-CG1 4.42Å; V2462-V2499 HydrophobicContact CG2-CG1 3.8Å; V2491-V2499 HydrophobicContact CG1-CG1 3.78Å; T2495-V2499 HydrophobicContact CG2-CB 3.98Å; T2495-V2499 HydrophobicContact CG2-CG1 3.9Å; T2495-V2499 HydrophobicContact CG2-CG2 4.39Å; V2499-S2502 CarbonylContact O-C 3.53Å; V2499-S2502 PolarHBondContact O-N 3.12Å; V2499-C2503 PolarHBondContact O-N 3.41Å; V2499-C2503 PolarHBondContact O-SG 2.96Å |
| 2500 | Q | 88.5 | Confident | 87.9 | Confident | 35 Ų | 35 | 27.9 Ų | 27.9 | 16% | 0.164 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.3 | -40.9 | 170.7 | -73.8 | 176.7 | -5.5 | 0 | 0 | 112.7 | M2492 T2495 G2496 K2497 H2498 S2502 C2503 L2504 L2558 | M2492-Q2500 HydrophobicContact CB-CG 4.35Å; M2492-Q2500 HydrophobicContact CE-CB 4.47Å; M2492-Q2500 HydrophobicContact CG-CG 4.34Å; M2492-Q2500 PolarHBondContact O-NE2 3.36Å; T2495-Q2500 PolarHBondContact O-NE2 2.9Å; G2496-Q2500 WeakPolarHBondContact O-CG 3.43Å; G2496-Q2500 PolarHBondContact O-N 2.84Å; G2496-Q2500 VanDerWaalsContact O-N 3.16Å; K2497-Q2500 WeakPolarHBondContact O-CB 3.37Å; K2497-Q2500 PolarHBondContact O-N 3.04Å; H2498-Q2500 VanDerWaalsContact C-N 3.33Å; H2498-Q2500 PolarHBondContact O-N 3.3Å; Q2500-S2502 VanDerWaalsContact C-N 3.33Å; Q2500-C2503 WeakPolarHBondContact O-CB 3.22Å; Q2500-C2503 PolarHBondContact O-N 3.5Å; Q2500-L2504 WeakPolarHBondContact O-CG 3.17Å; Q2500-L2504 PolarHBondContact O-N 3.07Å; Q2500-L2558 HydrophobicContact CB-CD1 3.81Å |
| 2501 | I | 88.9 | Confident | 87.9 | Confident | 15 Ų | 15 | 27.4 Ų | 27.4 | 8% | 0.077 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59 | -45.7 | 172.2 | -74.3 | 154.8 | 0 | 0 | 0 | 110.2 | K2497 H2498 C2503 L2504 A2505 L2557 L2558 | K2497-I2501 WeakPolarHBondContact O-CD1 3.35Å; K2497-I2501 WeakPolarHBondContact O-CG1 3.4Å; K2497-I2501 PolarHBondContact O-N 3.47Å; H2498-I2501 WeakPolarHBondContact O-CB 3.48Å; H2498-I2501 PolarHBondContact O-N 2.93Å; I2501-C2503 PolarHBondContact O-N 3.3Å; I2501-L2504 PolarHBondContact O-N 3.1Å; I2501-A2505 WeakPolarHBondContact O-CB 3.27Å; I2501-A2505 PolarHBondContact O-N 3.36Å; I2501-L2557 HydrophobicContact CB-CD2 4.5Å; I2501-L2557 HydrophobicContact CD1-CB 4.42Å; I2501-L2557 HydrophobicContact CD1-CD2 3.69Å; I2501-L2557 HydrophobicContact CG1-CD2 4.04Å; I2501-L2557 HydrophobicContact CG2-CD2 3.66Å; I2501-L2558 HydrophobicContact CD1-CB 4.31Å; I2501-L2558 HydrophobicContact CG1-CB 4.03Å; I2501-L2558 HydrophobicContact CG1-CD1 3.9Å |
| 2502 | S | 89.5 | Confident | 87.8 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.7 | -29.3 | 178.4 | -75.2 | 0 | 0 | 0 | 0 | 113.8 | E2459 R2463 H2498 V2499 Q2500 S2506 | E2459-S2502 WeakPolarHBondContact CG-OG 3.36Å; E2459-S2502 PolarHBondContact OE1-OG 3.3Å; E2459-S2502 VanDerWaalsContact OE1-OG 3.13Å; R2463-S2502 WeakPolarHBondContact CG-OG 3.18Å; R2463-S2502 PolarHBondContact NE-OG 3.05Å; R2463-S2502 VanDerWaalsContact NE-OG 3.09Å; H2498-S2502 PolarHBondContact O-N 3.25Å; V2499-S2502 CarbonylContact O-C 3.53Å; V2499-S2502 PolarHBondContact O-N 3.12Å; Q2500-S2502 VanDerWaalsContact C-N 3.33Å; S2502-S2506 WeakPolarHBondContact O-CB 3.09Å; S2502-S2506 PolarHBondContact O-N 2.77Å; S2502-S2506 PolarHBondContact O-OG 3.49Å |
| 2503 | C | 92.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.8 | -44 | 169 | -67.4 | 0 | 0 | 0 | 0 | 111.4 | V2462 L2488 M2492 V2499 Q2500 I2501 S2506 A2507 | V2462-C2503 HydrophobicContact CG1-CB 4.43Å; L2488-C2503 HydrophobicContact CD2-CB 4.28Å; M2492-C2503 HydrophobicContact CG-CB 3.42Å; M2492-C2503 VanDerWaalsContact CG-CB 3.42Å; M2492-C2503 HydrophobicContact SD-CB 3.85Å; V2499-C2503 PolarHBondContact O-N 3.41Å; V2499-C2503 PolarHBondContact O-SG 2.96Å; Q2500-C2503 WeakPolarHBondContact O-CB 3.22Å; Q2500-C2503 PolarHBondContact O-N 3.5Å; I2501-C2503 PolarHBondContact O-N 3.3Å; C2503-S2506 PolarHBondContact O-N 2.99Å; C2503-A2507 WeakPolarHBondContact O-CB 3.36Å; C2503-A2507 PolarHBondContact O-N 3.11Å |
| 2504 | L | 91.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.6 | -40.1 | 177.4 | -69.1 | 170.6 | 0 | 0 | 0 | 112 | M2492 Q2500 I2501 S2506 A2507 L2508 F2542 L2546 L2558 H2561 A2562 T2565 | M2492-L2504 HydrophobicContact CE-CD1 4.3Å; M2492-L2504 HydrophobicContact CE-CD2 3.99Å; M2492-L2504 HydrophobicContact CE-CG 3.95Å; M2492-L2504 HydrophobicContact SD-CD2 4.4Å; Q2500-L2504 WeakPolarHBondContact O-CG 3.17Å; Q2500-L2504 PolarHBondContact O-N 3.07Å; I2501-L2504 PolarHBondContact O-N 3.1Å; L2504-S2506 VanDerWaalsContact C-N 3.31Å; L2504-S2506 PolarHBondContact O-N 3.17Å; L2504-A2507 PolarHBondContact O-N 3.01Å; L2504-L2508 WeakPolarHBondContact O-CB 3.5Å; L2504-L2508 PolarHBondContact O-N 3.39Å; L2504-F2542 HydrophobicContact CD2-CE2 4.35Å; L2504-F2542 HydrophobicContact CD2-CZ 4.04Å; L2504-L2546 HydrophobicContact CD2-CD1 4.35Å; L2504-L2546 HydrophobicContact CD2-CG 4.21Å; L2504-L2558 HydrophobicContact CD1-CD1 3.88Å; L2504-H2561 HydrophobicContact CB-CB 4.04Å; L2504-H2561 HydrophobicContact CD1-CB 4.15Å; L2504-A2562 HydrophobicContact CD1-CB 4.38Å; L2504-T2565 HydrophobicContact CD2-CG2 4.37Å; L2504-T2565 PolarHBondContact O-OG1 3.24Å |
| 2505 | A | 88.5 | Confident | 87.9 | Confident | 29 Ų | 29 | 23.9 Ų | 23.9 | 24% | 0.24 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.5 | -40.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I2501 L2508 A2509 | I2501-A2505 WeakPolarHBondContact O-CB 3.27Å; I2501-A2505 PolarHBondContact O-N 3.36Å; A2505-L2508 PolarHBondContact O-N 2.84Å; A2505-A2509 PolarHBondContact O-N 3.13Å |
| 2506 | S | 91.7 | Very high | 87.6 | Confident | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.8 | -42.8 | 177.9 | -57.2 | 0 | 0 | 0 | 0 | 112.4 | V2462 S2502 C2503 L2504 L2508 A2509 I2510 | V2462-S2506 PolarHBondContact O-OG 3.09Å; S2502-S2506 WeakPolarHBondContact O-CB 3.09Å; S2502-S2506 PolarHBondContact O-N 2.77Å; S2502-S2506 PolarHBondContact O-OG 3.49Å; C2503-S2506 PolarHBondContact O-N 2.99Å; L2504-S2506 VanDerWaalsContact C-N 3.31Å; L2504-S2506 PolarHBondContact O-N 3.17Å; S2506-L2508 VanDerWaalsContact C-N 3.29Å; S2506-L2508 PolarHBondContact O-N 3.26Å; S2506-A2509 PolarHBondContact O-N 2.79Å; S2506-I2510 WeakPolarHBondContact O-CD1 3.26Å; S2506-I2510 VanDerWaalsContact O-CG1 3.3Å; S2506-I2510 WeakPolarHBondContact O-CG1 3.47Å; S2506-I2510 PolarHBondContact O-N 3.4Å |
| 2507 | A | 91.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.4 | -38.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L2488 C2503 L2504 L2511 F2542 T2565 | L2488-A2507 HydrophobicContact CD1-CB 4.15Å; C2503-A2507 WeakPolarHBondContact O-CB 3.36Å; C2503-A2507 PolarHBondContact O-N 3.11Å; L2504-A2507 PolarHBondContact O-N 3.01Å; A2507-L2511 WeakPolarHBondContact O-CB 3.12Å; A2507-L2511 VanDerWaalsContact O-CG 3.26Å; A2507-L2511 WeakPolarHBondContact O-CG 3.35Å; A2507-L2511 PolarHBondContact O-N 3.46Å; A2507-F2542 HydrophobicContact CB-CE1 4.35Å; A2507-F2542 HydrophobicContact CB-CE2 4.06Å; A2507-F2542 HydrophobicContact CB-CZ 3.5Å; A2507-T2565 HydrophobicContact CB-CG2 4.46Å |
| 2508 | L | 89.9 | Confident | 87.1 | Confident | 38 Ų | 38 | 30.9 Ų | 30.9 | 20% | 0.199 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.8 | -42.4 | 173.9 | 178.9 | 149 | 0 | 0 | 0 | 112.4 | F2043 L2504 A2505 S2506 L2511 A2512 R2564 | F2043-L2508 HydrophobicContact CD2-CD2 4.14Å; F2043-L2508 HydrophobicContact CE2-CD2 4.42Å; L2504-L2508 WeakPolarHBondContact O-CB 3.5Å; L2504-L2508 PolarHBondContact O-N 3.39Å; A2505-L2508 PolarHBondContact O-N 2.84Å; S2506-L2508 VanDerWaalsContact C-N 3.29Å; S2506-L2508 PolarHBondContact O-N 3.26Å; L2508-L2511 PolarHBondContact O-N 3.45Å; L2508-A2512 VanDerWaalsContact O-CB 3.27Å; L2508-A2512 WeakPolarHBondContact O-CB 3.45Å; L2508-A2512 PolarHBondContact O-N 3.44Å; L2508-R2564 HydrophobicContact CD1-CB 3.52Å |
| 2509 | A | 86.5 | Confident | 87 | Confident | 18 Ų | 18 | 25.3 Ų | 25.3 | 15% | 0.149 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61 | -45.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | A2505 S2506 L2511 A2512 K2513 | A2505-A2509 PolarHBondContact O-N 3.13Å; S2506-A2509 PolarHBondContact O-N 2.79Å; A2509-L2511 PolarHBondContact O-N 3.2Å; A2509-A2512 PolarHBondContact O-N 3.48Å; A2509-K2513 WeakPolarHBondContact O-CG 3.27Å; A2509-K2513 PolarHBondContact O-N 2.87Å; A2509-K2513 VanDerWaalsContact O-N 3.09Å |
| 2510 | I | 88.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.8 | -47.5 | 175.4 | -64.4 | 160.7 | 0 | 0 | 0 | 111 | W2469 F2481 T2484 L2488 S2506 A2512 K2513 L2514 | W2469-I2510 HydrophobicContact CB-CG1 3.85Å; W2469-I2510 HydrophobicContact CD2-CG1 4.03Å; W2469-I2510 HydrophobicContact CD2-CG2 4.06Å; W2469-I2510 HydrophobicContact CE3-CG1 4.35Å; W2469-I2510 HydrophobicContact CG-CB 4.3Å; W2469-I2510 HydrophobicContact CG-CG1 3.8Å; W2469-I2510 HydrophobicContact CG-CG2 4.16Å; F2481-I2510 HydrophobicContact CD2-CG2 3.79Å; F2481-I2510 HydrophobicContact CE2-CG2 3.78Å; T2484-I2510 HydrophobicContact CG2-CD1 3.6Å; L2488-I2510 HydrophobicContact CD1-CD1 4.29Å; S2506-I2510 WeakPolarHBondContact O-CD1 3.26Å; S2506-I2510 VanDerWaalsContact O-CG1 3.3Å; S2506-I2510 WeakPolarHBondContact O-CG1 3.47Å; S2506-I2510 PolarHBondContact O-N 3.4Å; I2510-A2512 VanDerWaalsContact C-N 3.32Å; I2510-A2512 PolarHBondContact O-N 3.5Å; I2510-K2513 PolarHBondContact O-N 2.92Å; I2510-L2514 HydrophobicContact CG2-CD1 4.22Å; I2510-L2514 WeakPolarHBondContact O-CG 3.09Å; I2510-L2514 PolarHBondContact O-N 3.16Å |
| 2511 | L | 87.3 | Confident | 86.2 | Confident | 7 Ų | 7 | 29.1 Ų | 29.1 | 4% | 0.037 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.6 | -37.2 | 176.4 | -73.7 | 166.1 | 0 | 0 | 0 | 112.3 | A2507 L2508 A2509 K2513 T2565 I2569 H2572 F2575 | A2507-L2511 WeakPolarHBondContact O-CB 3.12Å; A2507-L2511 VanDerWaalsContact O-CG 3.26Å; A2507-L2511 WeakPolarHBondContact O-CG 3.35Å; A2507-L2511 PolarHBondContact O-N 3.46Å; L2508-L2511 PolarHBondContact O-N 3.45Å; A2509-L2511 PolarHBondContact O-N 3.2Å; L2511-K2513 VanDerWaalsContact C-N 3.31Å; L2511-K2513 PolarHBondContact O-N 3.06Å; L2511-T2565 HydrophobicContact CD1-CG2 4.23Å; L2511-I2569 HydrophobicContact CD1-CG1 3.77Å; L2511-H2572 PolarHBondContact O-NE2 3.26Å; L2511-H2572 VanDerWaalsContact O-NE2 3.08Å; L2511-F2575 HydrophobicContact CD2-CD2 4.19Å; L2511-F2575 HydrophobicContact CD2-CE2 4.1Å |
| 2512 | A | 84.8 | Confident | 85.8 | Confident | 32 Ų | 32 | 28.7 Ų | 28.7 | 26% | 0.264 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -72.7 | -22.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | F2043 L2508 A2509 I2510 | F2043-A2512 HydrophobicContact CE2-CB 3.57Å; F2043-A2512 HydrophobicContact CZ-CB 3.62Å; L2508-A2512 VanDerWaalsContact O-CB 3.27Å; L2508-A2512 WeakPolarHBondContact O-CB 3.45Å; L2508-A2512 PolarHBondContact O-N 3.44Å; A2509-A2512 PolarHBondContact O-N 3.48Å; I2510-A2512 VanDerWaalsContact C-N 3.32Å; I2510-A2512 PolarHBondContact O-N 3.5Å |
| 2513 | K | 85.1 | Confident | 85.4 | Confident | 28 Ų | 28 | 29.9 Ų | 29.9 | 12% | 0.122 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -92 | -17.5 | 176.9 | -67.7 | -178.1 | 179.3 | 179.4 | 0 | 114 | E2384 I2467 W2469 L2471 A2509 I2510 L2511 | E2384-K2513 WeakPolarHBondContact OE1-CE 3.27Å; E2384-K2513 IonicContact OE1-NZ 3.99Å; E2384-K2513 PolarHBondContact OE1-NZ 2.65Å; I2467-K2513 PolarHBondContact O-NZ 3.23Å; W2469-K2513 HydrophobicContact CB-CD 4.39Å; W2469-K2513 WeakPolarHBondContact O-CD 3.45Å; W2469-K2513 WeakPolarHBondContact O-CE 3.48Å; W2469-K2513 PolarHBondContact O-NZ 3.3Å; L2471-K2513 HydrophobicContact CD2-CD 4.19Å; L2471-K2513 HydrophobicContact CD2-CG 4.03Å; A2509-K2513 WeakPolarHBondContact O-CG 3.27Å; A2509-K2513 PolarHBondContact O-N 2.87Å; A2509-K2513 VanDerWaalsContact O-N 3.09Å; I2510-K2513 PolarHBondContact O-N 2.92Å; L2511-K2513 VanDerWaalsContact C-N 3.31Å; L2511-K2513 PolarHBondContact O-N 3.06Å |
| 2514 | L | 85.7 | Confident | 84.5 | Confident | 12 Ų | 12 | 35.8 Ų | 35.8 | 6% | 0.063 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -73.8 | 142 | 174.5 | -79.4 | 164.3 | 0 | 0 | 0 | 111.5 | V2473 F2481 I2510 Q2518 I2522 H2572 F2575 | V2473-L2514 HydrophobicContact CG1-CD2 4.46Å; V2473-L2514 HydrophobicContact CG2-CD2 4.3Å; F2481-L2514 HydrophobicContact CD2-CD1 3.85Å; F2481-L2514 HydrophobicContact CE2-CD1 3.62Å; F2481-L2514 HydrophobicContact CZ-CD1 4.41Å; I2510-L2514 HydrophobicContact CG2-CD1 4.22Å; I2510-L2514 WeakPolarHBondContact O-CG 3.09Å; I2510-L2514 PolarHBondContact O-N 3.16Å; L2514-Q2518 HydrophobicContact CD2-CB 4.17Å; L2514-I2522 HydrophobicContact CD1-CD1 4.45Å; L2514-I2522 HydrophobicContact CD2-CD1 3.83Å; L2514-H2572 PolarHBondContact O-CE1 2.69Å; L2514-F2575 HydrophobicContact CD1-CE2 4.42Å |
| 2515 | S | 84.1 | Confident | 83.5 | Confident | 35 Ų | 35 | 39 Ų | 39 | 25% | 0.245 | 23% | 0.226 | C | C | . | . | trans | -83.6 | 155.1 | 166.5 | 95.5 | 0 | 0 | 0 | 0 | 111.3 | E2517 Q2518 S2519 | S2515-E2517 PolarHBondContact O-N 3.08Å; S2515-E2517 PolarHBondContact OG-N 3.06Å; S2515-Q2518 PolarHBondContact O-N 3.48Å; S2515-Q2518 WeakPolarHBondContact OG-CG 3.45Å; S2515-Q2518 PolarHBondContact OG-N 3.3Å; S2515-S2519 PolarHBondContact O-N 3.14Å; S2515-S2519 PolarHBondContact O-OG 3.17Å | ||
| 2516 | P | 81.7 | Confident | 82.4 | Confident | 75 Ų | 75 | 38.4 Ų | 38.4 | 49% | 0.487 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.8 | -33.9 | 174.4 | 23.6 | -32.8 | 0 | 0 | 0 | 112.1 | S2519 A2520 | P2516-S2519 WeakPolarHBondContact CA-OG 3.4Å; P2516-S2519 PolarHBondContact O-N 3.42Å; P2516-S2519 PolarHBondContact O-OG 3.33Å; P2516-A2520 PolarHBondContact O-N 2.92Å |
| 2517 | E | 78.7 | Confident | 80.8 | Confident | 162 Ų | 162 | 40.1 Ų | 40.1 | 76% | 0.757 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -68.6 | -43.4 | 177 | -61.4 | 174.9 | -179.8 | 0 | 0 | 111.9 | S2515 S2519 A2520 H2521 | S2515-E2517 PolarHBondContact O-N 3.08Å; S2515-E2517 PolarHBondContact OG-N 3.06Å; E2517-S2519 VanDerWaalsContact C-N 3.32Å; E2517-S2519 PolarHBondContact O-N 2.75Å; E2517-A2520 WeakPolarHBondContact O-CB 3.35Å; E2517-A2520 PolarHBondContact O-N 3.2Å; E2517-A2520 VanDerWaalsContact O-N 3.15Å; E2517-H2521 PolarHBondContact O-N 2.97Å |
| 2518 | Q | 82.4 | Confident | 79.3 | Confident | 43 Ų | 43 | 51 Ų | 51 | 20% | 0.201 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 172.8 | -72.9 | 163.1 | -9.7 | 0 | 0 | 111.1 | V2473 L2478 L2514 S2515 A2520 H2521 I2522 | V2473-Q2518 PolarHBondContact O-NE2 3.39Å; L2478-Q2518 HydrophobicContact CD2-CB 3.99Å; L2478-Q2518 HydrophobicContact CD2-CG 4.24Å; L2514-Q2518 HydrophobicContact CD2-CB 4.17Å; S2515-Q2518 PolarHBondContact O-N 3.48Å; S2515-Q2518 WeakPolarHBondContact OG-CG 3.45Å; S2515-Q2518 PolarHBondContact OG-N 3.3Å; Q2518-A2520 VanDerWaalsContact C-N 3.26Å; Q2518-A2520 PolarHBondContact O-N 3.4Å; Q2518-H2521 PolarHBondContact O-N 2.85Å; Q2518-I2522 WeakPolarHBondContact O-CG1 3.41Å; Q2518-I2522 PolarHBondContact O-N 3.17Å |
| 2519 | S | 81.5 | Confident | 77.8 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.3 | -23.5 | 176 | 66.5 | 0 | 0 | 0 | 0 | 113.8 | S2515 P2516 E2517 V2523 H2572 S2574 | S2515-S2519 PolarHBondContact O-N 3.14Å; S2515-S2519 PolarHBondContact O-OG 3.17Å; P2516-S2519 WeakPolarHBondContact CA-OG 3.4Å; P2516-S2519 PolarHBondContact O-N 3.42Å; P2516-S2519 PolarHBondContact O-OG 3.33Å; E2517-S2519 VanDerWaalsContact C-N 3.32Å; E2517-S2519 PolarHBondContact O-N 2.75Å; S2519-V2523 WeakPolarHBondContact O-CG2 3.31Å; S2519-H2572 VanDerWaalsContact CB-ND1 3.27Å; S2519-H2572 WeakPolarHBondContact CB-ND1 3.42Å; S2519-H2572 PolarHBondContact OG-ND1 2.86Å; S2519-S2574 WeakPolarHBondContact O-CB 3.48Å; S2519-S2574 PolarHBondContact O-OG 2.9Å; S2519-S2574 PolarHBondContact OG-OG 3.09Å |
| 2520 | A | 81.7 | Confident | 76.5 | Confident | 36 Ų | 36 | 53.6 Ų | 53.6 | 30% | 0.298 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -72.8 | -49.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | P2516 E2517 Q2518 I2522 V2523 D2524 S2574 | P2516-A2520 PolarHBondContact O-N 2.92Å; E2517-A2520 WeakPolarHBondContact O-CB 3.35Å; E2517-A2520 PolarHBondContact O-N 3.2Å; E2517-A2520 VanDerWaalsContact O-N 3.15Å; Q2518-A2520 VanDerWaalsContact C-N 3.26Å; Q2518-A2520 PolarHBondContact O-N 3.4Å; A2520-I2522 VanDerWaalsContact C-N 3.26Å; A2520-I2522 PolarHBondContact O-N 3.22Å; A2520-V2523 WeakPolarHBondContact O-CA 3.48Å; A2520-V2523 WeakPolarHBondContact O-CB 3.44Å; A2520-V2523 PolarHBondContact O-N 3.13Å; A2520-D2524 PolarHBondContact O-N 3.23Å; A2520-S2574 PolarHBondContact N-OG 3.37Å |
| 2521 | H | 79.3 | Confident | 75.4 | Confident | 78 Ų | 78 | 57.9 Ų | 57.9 | 36% | 0.361 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.3 | -31.9 | 179.3 | -162.6 | -36.2 | 0 | 0 | 0 | 113.2 | L2478 E2517 Q2518 C2525 | L2478-H2521 HydrophobicContact CD1-CB 4.37Å; E2517-H2521 PolarHBondContact O-N 2.97Å; Q2518-H2521 PolarHBondContact O-N 2.85Å; H2521-C2525 VanDerWaalsContact CE1-SG 3.56Å; H2521-C2525 PolarHBondContact ND1-SG 3.43Å; H2521-C2525 VanDerWaalsContact ND1-SG 3.36Å; H2521-C2525 WeakPolarHBondContact O-CB 3.24Å; H2521-C2525 PolarHBondContact O-N 2.88Å; H2521-C2525 PolarHBondContact O-SG 3.06Å |
| 2522 | I | 80.4 | Confident | 74.5 | Confident | 6 Ų | 6 | 65.5 Ų | 65.5 | 3% | 0.031 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.8 | -44 | 171.3 | -74.1 | 166.5 | 0 | 0 | 0 | 111.3 | L2478 F2481 L2514 Q2518 A2520 A2526 L2537 F2575 | L2478-I2522 HydrophobicContact CB-CG1 3.95Å; L2478-I2522 HydrophobicContact CD2-CD1 3.86Å; L2478-I2522 HydrophobicContact CD2-CG1 3.85Å; L2478-I2522 HydrophobicContact CG-CG1 4.34Å; F2481-I2522 HydrophobicContact CB-CD1 4.24Å; F2481-I2522 HydrophobicContact CD1-CD1 4.31Å; F2481-I2522 HydrophobicContact CD1-CG2 3.97Å; F2481-I2522 HydrophobicContact CE1-CG2 4.42Å; F2481-I2522 HydrophobicContact CG-CD1 4.14Å; L2514-I2522 HydrophobicContact CD1-CD1 4.45Å; L2514-I2522 HydrophobicContact CD2-CD1 3.83Å; Q2518-I2522 WeakPolarHBondContact O-CG1 3.41Å; Q2518-I2522 PolarHBondContact O-N 3.17Å; A2520-I2522 VanDerWaalsContact C-N 3.26Å; A2520-I2522 PolarHBondContact O-N 3.22Å; I2522-A2526 PolarHBondContact O-N 2.59Å; I2522-L2537 HydrophobicContact CG2-CD1 4.17Å; I2522-L2537 HydrophobicContact CG2-CD2 3.5Å; I2522-L2537 VanDerWaalsContact CG2-CD2 3.5Å; I2522-F2575 HydrophobicContact CD1-CZ 4.43Å; I2522-F2575 HydrophobicContact CG2-CE1 4.05Å; I2522-F2575 HydrophobicContact CG2-CZ 4.22Å |
| 2523 | V | 79.3 | Confident | 73.9 | Confident | 25 Ų | 25 | 64 Ų | 64 | 15% | 0.152 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -70.3 | -40.1 | 179.4 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | S2519 A2520 A2526 L2537 F2575 L2578 | S2519-V2523 WeakPolarHBondContact O-CG2 3.31Å; A2520-V2523 WeakPolarHBondContact O-CA 3.48Å; A2520-V2523 WeakPolarHBondContact O-CB 3.44Å; A2520-V2523 PolarHBondContact O-N 3.13Å; V2523-A2526 PolarHBondContact O-N 3.06Å; V2523-L2537 HydrophobicContact CG2-CD1 4.16Å; V2523-F2575 HydrophobicContact CG2-CD1 3.77Å; V2523-F2575 HydrophobicContact CG2-CE1 3.82Å; V2523-L2578 HydrophobicContact CG1-CD1 4.15Å; V2523-L2578 HydrophobicContact CG2-CD1 3.74Å |
| 2524 | D | 75.3 | Confident | 73.3 | Confident | 124 Ų | 124 | 64.1 Ų | 64.1 | 66% | 0.663 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -65.7 | -38.4 | 176.6 | -68 | -36.2 | 0 | 0 | 0 | 112.4 | A2520 A2526 | A2520-D2524 PolarHBondContact O-N 3.23Å; D2524-A2526 VanDerWaalsContact C-N 3.29Å; D2524-A2526 PolarHBondContact O-N 3.24Å |
| 2525 | C | 69.3 | Low | 72.9 | Confident | 69 Ų | 69 | 66.1 Ų | 66.1 | 47% | 0.466 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.1 | -31 | 173.3 | -79.5 | 0 | 0 | 0 | 0 | 113 | H2521 G2527 | H2521-C2525 VanDerWaalsContact CE1-SG 3.56Å; H2521-C2525 PolarHBondContact ND1-SG 3.43Å; H2521-C2525 VanDerWaalsContact ND1-SG 3.36Å; H2521-C2525 WeakPolarHBondContact O-CB 3.24Å; H2521-C2525 PolarHBondContact O-N 2.88Å; H2521-C2525 PolarHBondContact O-SG 3.06Å; C2525-G2527 PolarHBondContact O-N 2.77Å |
| 2526 | A | 65.5 | Low | 72.5 | Confident | 15 Ų | 15 | 69.6 Ų | 69.6 | 12% | 0.124 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 19.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | I2522 V2523 D2524 C2533 L2537 | I2522-A2526 PolarHBondContact O-N 2.59Å; V2523-A2526 PolarHBondContact O-N 3.06Å; D2524-A2526 VanDerWaalsContact C-N 3.29Å; D2524-A2526 PolarHBondContact O-N 3.24Å; A2526-C2533 HydrophobicContact CB-CB 4.1Å; A2526-C2533 VanDerWaalsContact CB-SG 3.59Å; A2526-C2533 WeakPolarHBondContact O-CA 3.33Å; A2526-C2533 WeakPolarHBondContact O-CB 3.45Å; A2526-L2537 HydrophobicContact CB-CD1 4.31Å; A2526-L2537 HydrophobicContact CB-CD2 4.05Å; A2526-L2537 HydrophobicContact CB-CG 3.99Å |
| 2527 | G | 58 | Low | 72.3 | Confident | 39 Ų | 39 | 66.4 Ų | 66.4 | 40% | 0.402 | 36% | 0.363 | S | S | . | . | trans | 88.4 | 153.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | C2525 S2529 | C2525-G2527 PolarHBondContact O-N 2.77Å; G2527-S2529 PolarHBondContact O-N 3.24Å | ||
| 2528 | K | 60.3 | Low | 72.3 | Confident | 230 Ų | 230 | 58.9 Ų | 58.9 | 100% | 1 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -68.7 | 13.8 | -165 | -60.1 | -173.2 | 177.6 | -176.9 | 0 | 116.9 | ||
| 2529 | S | 57.9 | Low | 72.4 | Confident | 47 Ų | 47 | 57.1 Ų | 57.1 | 33% | 0.329 | 32% | 0.321 | S | S | . | . | trans | -132.5 | 109.8 | 177.1 | 59.7 | 0 | 0 | 0 | 0 | 110.7 | G2527 S2531 R2532 C2533 | G2527-S2529 PolarHBondContact O-N 3.24Å; S2529-S2531 PolarHBondContact O-N 2.84Å; S2529-S2531 VanDerWaalsContact O-N 3.08Å; S2529-R2532 PolarHBondContact O-N 3.04Å; S2529-R2532 WeakPolarHBondContact OG-CB 3.04Å; S2529-R2532 WeakPolarHBondContact OG-CG 3.43Å; S2529-C2533 PolarHBondContact O-N 3.44Å; S2529-C2533 VanDerWaalsContact O-N 3.09Å | ||
| 2530 | A | 60.5 | Low | 72.5 | Confident | 63 Ų | 63 | 62.4 Ų | 62.4 | 52% | 0.521 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -49.5 | -38.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | F2534 L2578 | A2530-F2534 WeakPolarHBondContact O-CB 3.41Å; A2530-F2534 PolarHBondContact O-N 3.48Å; A2530-L2578 HydrophobicContact CB-CD2 3.69Å |
| 2531 | S | 64.2 | Low | 72.6 | Confident | 90 Ų | 90 | 65 Ų | 65 | 63% | 0.629 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -69 | -30.6 | 179.6 | 54.3 | 0 | 0 | 0 | 0 | 114.4 | S2529 S2535 | S2529-S2531 PolarHBondContact O-N 2.84Å; S2529-S2531 VanDerWaalsContact O-N 3.08Å; S2531-S2535 PolarHBondContact O-OG 3.48Å |
| 2532 | R | 69.9 | Low | 73.1 | Confident | 167 Ų | 167 | 61.4 Ų | 61.4 | 63% | 0.63 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -75.3 | -53.7 | 169.9 | -73 | -168.2 | 179.9 | -177.8 | 1.1 | 110.5 | S2529 F2534 S2535 E2536 | S2529-R2532 PolarHBondContact O-N 3.04Å; S2529-R2532 WeakPolarHBondContact OG-CB 3.04Å; S2529-R2532 WeakPolarHBondContact OG-CG 3.43Å; R2532-F2534 VanDerWaalsContact C-N 3.26Å; R2532-F2534 PolarHBondContact O-N 3.46Å; R2532-S2535 CarbonylContact O-C 3.6Å; R2532-S2535 WeakPolarHBondContact O-CA 3.36Å; R2532-S2535 WeakPolarHBondContact O-CB 3.22Å; R2532-S2535 PolarHBondContact O-N 3.43Å; R2532-E2536 WeakPolarHBondContact O-CG 3.49Å; R2532-E2536 PolarHBondContact O-N 2.97Å |
| 2533 | C | 70.3 | Confident | 73.4 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.007 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -47.1 | -47.9 | 176.3 | 173.2 | 0 | 0 | 0 | 0 | 112.4 | A2526 S2529 S2535 E2536 L2537 | A2526-C2533 HydrophobicContact CB-CB 4.1Å; A2526-C2533 VanDerWaalsContact CB-SG 3.59Å; A2526-C2533 WeakPolarHBondContact O-CA 3.33Å; A2526-C2533 WeakPolarHBondContact O-CB 3.45Å; S2529-C2533 PolarHBondContact O-N 3.44Å; S2529-C2533 VanDerWaalsContact O-N 3.09Å; C2533-S2535 PolarHBondContact O-N 3.06Å; C2533-E2536 PolarHBondContact O-N 3.17Å; C2533-L2537 WeakPolarHBondContact O-CB 3.49Å; C2533-L2537 VanDerWaalsContact O-CG 3.27Å; C2533-L2537 WeakPolarHBondContact O-CG 3.3Å; C2533-L2537 PolarHBondContact O-N 3.28Å; C2533-L2537 VanDerWaalsContact SG-CD1 3.58Å |
| 2534 | F | 74.2 | Confident | 73.7 | Confident | 29 Ų | 29 | 62 Ų | 62 | 13% | 0.127 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.3 | -26.9 | 178.2 | -177.9 | -131 | 0 | 0 | 0 | 114.3 | A2530 R2532 L2539 K2540 L2543 L2578 C2579 | A2530-F2534 WeakPolarHBondContact O-CB 3.41Å; A2530-F2534 PolarHBondContact O-N 3.48Å; R2532-F2534 VanDerWaalsContact C-N 3.26Å; R2532-F2534 PolarHBondContact O-N 3.46Å; F2534-L2539 HydrophobicContact CD2-CB 3.93Å; F2534-L2539 HydrophobicContact CE2-CB 4.02Å; F2534-K2540 HydrophobicContact CD1-CB 3.79Å; F2534-K2540 HydrophobicContact CD1-CD 4.28Å; F2534-K2540 HydrophobicContact CD1-CG 4.06Å; F2534-K2540 HydrophobicContact CD2-CB 4.4Å; F2534-K2540 HydrophobicContact CE1-CB 3.65Å; F2534-K2540 HydrophobicContact CE1-CD 4.3Å; F2534-K2540 HydrophobicContact CE1-CG 3.7Å; F2534-K2540 HydrophobicContact CE2-CB 4.27Å; F2534-K2540 HydrophobicContact CG-CB 4.17Å; F2534-K2540 HydrophobicContact CZ-CB 3.91Å; F2534-K2540 HydrophobicContact CZ-CG 4.25Å; F2534-K2540 WeakPolarHBondContact O-CB 3.46Å; F2534-K2540 PolarHBondContact O-N 2.96Å; F2534-L2543 HydrophobicContact CE2-CD1 3.82Å; F2534-L2543 HydrophobicContact CZ-CD1 4.07Å; F2534-L2578 HydrophobicContact CD2-CB 4.2Å; F2534-C2579 VanDerWaalsContact CE2-SG 3.58Å |
| 2535 | S | 76.9 | Confident | 74.3 | Confident | 54 Ų | 54 | 58.1 Ų | 58.1 | 38% | 0.378 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -90.4 | -41.2 | 176.3 | -51.6 | 0 | 0 | 0 | 0 | 112.1 | S2531 R2532 C2533 L2537 G2538 | S2531-S2535 PolarHBondContact O-OG 3.48Å; R2532-S2535 CarbonylContact O-C 3.6Å; R2532-S2535 WeakPolarHBondContact O-CA 3.36Å; R2532-S2535 WeakPolarHBondContact O-CB 3.22Å; R2532-S2535 PolarHBondContact O-N 3.43Å; C2533-S2535 PolarHBondContact O-N 3.06Å; S2535-L2537 PolarHBondContact O-N 3.03Å; S2535-G2538 PolarHBondContact O-N 3.36Å |
| 2536 | E | 75.3 | Confident | 75.1 | Confident | 108 Ų | 108 | 54.8 Ų | 54.8 | 51% | 0.505 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.5 | -32.9 | -179.4 | -71.2 | 173.8 | -158.4 | 0 | 0 | 112.2 | R2532 C2533 G2538 | R2532-E2536 WeakPolarHBondContact O-CG 3.49Å; R2532-E2536 PolarHBondContact O-N 2.97Å; C2533-E2536 PolarHBondContact O-N 3.17Å; E2536-G2538 PolarHBondContact O-N 3.32Å |
| 2537 | L | 77.2 | Confident | 76.1 | Confident | 9 Ų | 9 | 57.1 Ų | 57.1 | 5% | 0.047 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -3.3 | 170.8 | -66.4 | 173.6 | 0 | 0 | 0 | 114.1 | F2481 A2482 I2522 V2523 A2526 C2533 S2535 L2539 F2575 L2578 | F2481-L2537 HydrophobicContact CD1-CD2 4.41Å; A2482-L2537 HydrophobicContact CB-CD2 4.35Å; I2522-L2537 HydrophobicContact CG2-CD1 4.17Å; I2522-L2537 HydrophobicContact CG2-CD2 3.5Å; I2522-L2537 VanDerWaalsContact CG2-CD2 3.5Å; V2523-L2537 HydrophobicContact CG2-CD1 4.16Å; A2526-L2537 HydrophobicContact CB-CD1 4.31Å; A2526-L2537 HydrophobicContact CB-CD2 4.05Å; A2526-L2537 HydrophobicContact CB-CG 3.99Å; C2533-L2537 WeakPolarHBondContact O-CB 3.49Å; C2533-L2537 VanDerWaalsContact O-CG 3.27Å; C2533-L2537 WeakPolarHBondContact O-CG 3.3Å; C2533-L2537 PolarHBondContact O-N 3.28Å; C2533-L2537 VanDerWaalsContact SG-CD1 3.58Å; S2535-L2537 PolarHBondContact O-N 3.03Å; L2537-L2539 HydrophobicContact CB-CD1 4.04Å; L2537-L2539 HydrophobicContact CB-CG 3.98Å; L2537-L2539 HydrophobicContact CD1-CD1 3.95Å; L2537-L2539 PolarHBondContact O-N 3.47Å; L2537-F2575 HydrophobicContact CD1-CE1 4.4Å; L2537-L2578 HydrophobicContact CD1-CD1 4.4Å |
| 2538 | G | 79.1 | Confident | 77.4 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | S | Bend | trans | 67.8 | -0.8 | -175 | 0 | 0 | 0 | 0 | 0 | 115.5 | N2489 S2535 E2536 K2540 D2541 F2542 | N2489-G2538 PolarHBondContact ND2-O 3.46Å; S2535-G2538 PolarHBondContact O-N 3.36Å; E2536-G2538 PolarHBondContact O-N 3.32Å; G2538-K2540 VanDerWaalsContact C-N 3.31Å; G2538-K2540 PolarHBondContact O-N 2.97Å; G2538-D2541 PolarHBondContact O-N 2.83Å; G2538-F2542 WeakPolarHBondContact O-CB 3.24Å; G2538-F2542 PolarHBondContact O-N 3.06Å |
| 2539 | L | 83.6 | Confident | 78.6 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.5 | -34.6 | -176.9 | -72 | 174.1 | 0 | 0 | 0 | 112.8 | F2534 L2537 F2542 L2543 F2575 | F2534-L2539 HydrophobicContact CD2-CB 3.93Å; F2534-L2539 HydrophobicContact CE2-CB 4.02Å; L2537-L2539 HydrophobicContact CB-CD1 4.04Å; L2537-L2539 HydrophobicContact CB-CG 3.98Å; L2537-L2539 HydrophobicContact CD1-CD1 3.95Å; L2537-L2539 PolarHBondContact O-N 3.47Å; L2539-F2542 PolarHBondContact O-N 3.43Å; L2539-L2543 WeakPolarHBondContact O-CB 3.46Å; L2539-L2543 PolarHBondContact O-N 3.03Å; L2539-F2575 HydrophobicContact CD1-CD1 3.79Å; L2539-F2575 HydrophobicContact CD1-CE1 4.12Å; L2539-F2575 HydrophobicContact CD1-CG 4.33Å |
| 2540 | K | 84.3 | Confident | 79.9 | Confident | 111 Ų | 111 | 49.7 Ų | 49.7 | 48% | 0.483 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.4 | -50.7 | 175.2 | -177.3 | 179.7 | 177.3 | -172.3 | 0 | 112.7 | F2534 G2538 F2542 G2544 | F2534-K2540 HydrophobicContact CD1-CB 3.79Å; F2534-K2540 HydrophobicContact CD1-CD 4.28Å; F2534-K2540 HydrophobicContact CD1-CG 4.06Å; F2534-K2540 HydrophobicContact CD2-CB 4.4Å; F2534-K2540 HydrophobicContact CE1-CB 3.65Å; F2534-K2540 HydrophobicContact CE1-CD 4.3Å; F2534-K2540 HydrophobicContact CE1-CG 3.7Å; F2534-K2540 HydrophobicContact CE2-CB 4.27Å; F2534-K2540 HydrophobicContact CG-CB 4.17Å; F2534-K2540 HydrophobicContact CZ-CB 3.91Å; F2534-K2540 HydrophobicContact CZ-CG 4.25Å; F2534-K2540 WeakPolarHBondContact O-CB 3.46Å; F2534-K2540 PolarHBondContact O-N 2.96Å; G2538-K2540 VanDerWaalsContact C-N 3.31Å; G2538-K2540 PolarHBondContact O-N 2.97Å; K2540-F2542 VanDerWaalsContact C-N 3.33Å; K2540-G2544 PolarHBondContact O-N 3.42Å |
| 2541 | D | 84.5 | Confident | 80.9 | Confident | 91 Ų | 91 | 51.1 Ų | 51.1 | 49% | 0.487 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -72.1 | -32.7 | -179.8 | -67.4 | -11 | 0 | 0 | 0 | 111.2 | G2538 G2544 K2545 | G2538-D2541 PolarHBondContact O-N 2.83Å; D2541-G2544 PolarHBondContact O-N 3.19Å; D2541-K2545 WeakPolarHBondContact O-CG 3.38Å; D2541-K2545 PolarHBondContact O-N 3.35Å |
| 2542 | F | 89 | Confident | 81.9 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.1 | -48.6 | 174.9 | -173.3 | -111.1 | 0 | 0 | 0 | 111.3 | I2485 N2489 M2492 L2504 A2507 G2538 L2539 K2540 G2544 K2545 L2546 T2565 | I2485-F2542 HydrophobicContact CG2-CB 4.16Å; I2485-F2542 HydrophobicContact CG2-CG 4.43Å; N2489-F2542 WeakPolarHBondContact OD1-CA 3.49Å; N2489-F2542 PolarHBondContact OD1-N 3.06Å; N2489-F2542 VanDerWaalsContact OD1-N 3.17Å; M2492-F2542 HydrophobicContact SD-CE2 4.16Å; L2504-F2542 HydrophobicContact CD2-CE2 4.35Å; L2504-F2542 HydrophobicContact CD2-CZ 4.04Å; A2507-F2542 HydrophobicContact CB-CE1 4.35Å; A2507-F2542 HydrophobicContact CB-CE2 4.06Å; A2507-F2542 HydrophobicContact CB-CZ 3.5Å; G2538-F2542 WeakPolarHBondContact O-CB 3.24Å; G2538-F2542 PolarHBondContact O-N 3.06Å; L2539-F2542 PolarHBondContact O-N 3.43Å; K2540-F2542 VanDerWaalsContact C-N 3.33Å; F2542-G2544 VanDerWaalsContact C-N 3.33Å; F2542-G2544 PolarHBondContact O-N 3.43Å; F2542-K2545 PolarHBondContact O-N 3.3Å; F2542-K2545 VanDerWaalsContact O-N 3.15Å; F2542-L2546 HydrophobicContact CD1-CD1 4.4Å; F2542-L2546 HydrophobicContact CE1-CD1 3.84Å; F2542-L2546 HydrophobicContact CZ-CD1 4.3Å; F2542-L2546 VanDerWaalsContact O-CB 3.28Å; F2542-L2546 WeakPolarHBondContact O-CB 3.21Å; F2542-L2546 PolarHBondContact O-N 3.07Å; F2542-T2565 HydrophobicContact CE1-CG2 3.78Å; F2542-T2565 HydrophobicContact CZ-CG2 3.84Å |
| 2543 | L | 86.7 | Confident | 82.3 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.9 | -36.3 | 174.4 | -85.9 | 154 | 0 | 0 | 0 | 112.7 | F2534 L2539 K2545 L2546 K2547 C2579 I2583 | F2534-L2543 HydrophobicContact CE2-CD1 3.82Å; F2534-L2543 HydrophobicContact CZ-CD1 4.07Å; L2539-L2543 WeakPolarHBondContact O-CB 3.46Å; L2539-L2543 PolarHBondContact O-N 3.03Å; L2543-K2545 VanDerWaalsContact C-N 3.29Å; L2543-K2545 PolarHBondContact O-N 2.78Å; L2543-L2546 PolarHBondContact O-N 3.35Å; L2543-K2547 WeakPolarHBondContact O-CB 3.47Å; L2543-K2547 PolarHBondContact O-N 2.96Å; L2543-C2579 HydrophobicContact CD1-CB 3.66Å; L2543-C2579 WeakPolarHBondContact CD1-SG 3.26Å; L2543-I2583 HydrophobicContact CD2-CG1 3.8Å |
| 2544 | G | 86.4 | Confident | 82.8 | Confident | 37 Ų | 37 | 57.7 Ų | 57.7 | 38% | 0.381 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.7 | -34.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | K2540 D2541 F2542 K2548 | K2540-G2544 PolarHBondContact O-N 3.42Å; D2541-G2544 PolarHBondContact O-N 3.19Å; F2542-G2544 VanDerWaalsContact C-N 3.33Å; F2542-G2544 PolarHBondContact O-N 3.43Å; G2544-K2548 WeakPolarHBondContact O-CG 3.3Å |
| 2545 | K | 86.5 | Confident | 83.3 | Confident | 41 Ų | 41 | 57.5 Ų | 57.5 | 18% | 0.178 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -81.7 | -40.9 | 175.5 | -69.1 | 170.4 | -161.1 | 177.9 | 0 | 112 | N2489 M2492 T2493 D2541 F2542 L2543 K2547 K2548 S2549 | N2489-K2545 VanDerWaalsContact C-NZ 3.3Å; N2489-K2545 PolarHBondContact O-NZ 2.82Å; N2489-K2545 WeakPolarHBondContact OD1-CD 3.39Å; N2489-K2545 PolarHBondContact OD1-NZ 3.3Å; M2492-K2545 HydrophobicContact CB-CD 4.44Å; T2493-K2545 HydrophobicContact CG2-CD 4.17Å; D2541-K2545 WeakPolarHBondContact O-CG 3.38Å; D2541-K2545 PolarHBondContact O-N 3.35Å; F2542-K2545 PolarHBondContact O-N 3.3Å; F2542-K2545 VanDerWaalsContact O-N 3.15Å; L2543-K2545 VanDerWaalsContact C-N 3.29Å; L2543-K2545 PolarHBondContact O-N 2.78Å; K2545-K2547 VanDerWaalsContact C-N 3.29Å; K2545-K2547 PolarHBondContact O-N 3.19Å; K2545-K2548 CarbonylContact O-C 3.48Å; K2545-K2548 WeakPolarHBondContact O-CB 3.25Å; K2545-K2548 PolarHBondContact O-N 2.75Å; K2545-S2549 PolarHBondContact O-N 3.36Å; K2545-S2549 PolarHBondContact O-OG 3.07Å |
| 2546 | L | 86.5 | Confident | 83.5 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.3 | -40.5 | 175.5 | -160.4 | 163 | 0 | 0 | 0 | 110.6 | L2504 F2542 L2543 S2549 A2550 A2562 T2565 V2566 I2569 L2586 | L2504-L2546 HydrophobicContact CD2-CD1 4.35Å; L2504-L2546 HydrophobicContact CD2-CG 4.21Å; F2542-L2546 HydrophobicContact CD1-CD1 4.4Å; F2542-L2546 HydrophobicContact CE1-CD1 3.84Å; F2542-L2546 HydrophobicContact CZ-CD1 4.3Å; F2542-L2546 VanDerWaalsContact O-CB 3.28Å; F2542-L2546 WeakPolarHBondContact O-CB 3.21Å; F2542-L2546 PolarHBondContact O-N 3.07Å; L2543-L2546 PolarHBondContact O-N 3.35Å; L2546-S2549 PolarHBondContact O-N 3.49Å; L2546-A2550 VanDerWaalsContact O-CB 3.32Å; L2546-A2550 WeakPolarHBondContact O-CB 3.02Å; L2546-A2550 PolarHBondContact O-N 3Å; L2546-A2562 HydrophobicContact CD2-CB 3.82Å; L2546-A2562 HydrophobicContact CG-CB 4.29Å; L2546-T2565 HydrophobicContact CD1-CG2 3.65Å; L2546-V2566 HydrophobicContact CD1-CG2 4.39Å; L2546-V2566 HydrophobicContact CD2-CG2 3.64Å; L2546-I2569 HydrophobicContact CD1-CD1 4.41Å; L2546-L2586 HydrophobicContact CD2-CD1 3.56Å |
| 2547 | K | 87 | Confident | 83.8 | Confident | 64 Ų | 64 | 57 Ų | 57 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57.3 | -49.8 | 170.5 | -175.4 | 167.9 | 176.4 | 172.3 | 0 | 112.2 | L2543 K2545 S2549 A2550 E2551 L2586 | L2543-K2547 WeakPolarHBondContact O-CB 3.47Å; L2543-K2547 PolarHBondContact O-N 2.96Å; K2545-K2547 VanDerWaalsContact C-N 3.29Å; K2545-K2547 PolarHBondContact O-N 3.19Å; K2547-S2549 VanDerWaalsContact C-N 3.31Å; K2547-S2549 PolarHBondContact O-N 3.2Å; K2547-A2550 WeakPolarHBondContact O-CB 3.12Å; K2547-A2550 PolarHBondContact O-N 3.16Å; K2547-A2550 VanDerWaalsContact O-N 3.15Å; K2547-E2551 WeakPolarHBondContact CE-OE1 3.44Å; K2547-E2551 HydrophobicContact CG-CG 4.41Å; K2547-E2551 WeakPolarHBondContact CG-OE1 3.37Å; K2547-E2551 IonicContact NZ-OE1 2.67Å; K2547-E2551 WeakPolarHBondContact O-CB 3.29Å; K2547-E2551 WeakPolarHBondContact O-CG 3.21Å; K2547-E2551 PolarHBondContact O-N 3.44Å; K2547-L2586 HydrophobicContact CB-CD1 3.96Å |
| 2548 | K | 86.1 | Confident | 84.2 | Confident | 151 Ų | 151 | 56.5 Ų | 56.5 | 66% | 0.657 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.8 | -35.1 | 176.1 | -68 | 175.7 | -179.1 | -177.4 | 0 | 113 | G2544 K2545 N2552 | G2544-K2548 WeakPolarHBondContact O-CG 3.3Å; K2545-K2548 CarbonylContact O-C 3.48Å; K2545-K2548 WeakPolarHBondContact O-CB 3.25Å; K2545-K2548 PolarHBondContact O-N 2.75Å; K2548-N2552 WeakPolarHBondContact O-CB 3.4Å; K2548-N2552 PolarHBondContact O-N 2.83Å |
| 2549 | S | 85.6 | Confident | 84.7 | Confident | 6 Ų | 6 | 57 Ų | 57 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.1 | -36.8 | 174.3 | -64.9 | 0 | 0 | 0 | 0 | 112.5 | K2545 L2546 K2547 N2552 R2559 | K2545-S2549 PolarHBondContact O-N 3.36Å; K2545-S2549 PolarHBondContact O-OG 3.07Å; L2546-S2549 PolarHBondContact O-N 3.49Å; K2547-S2549 VanDerWaalsContact C-N 3.31Å; K2547-S2549 PolarHBondContact O-N 3.2Å; S2549-N2552 WeakPolarHBondContact O-CB 3.38Å; S2549-N2552 PolarHBondContact O-N 3.49Å; S2549-R2559 WeakPolarHBondContact O-CG 3.14Å |
| 2550 | A | 83.8 | Confident | 84.9 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 2% | 0.017 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70 | -37.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L2546 K2547 N2552 R2559 A2562 L2586 F2590 | L2546-A2550 VanDerWaalsContact O-CB 3.32Å; L2546-A2550 WeakPolarHBondContact O-CB 3.02Å; L2546-A2550 PolarHBondContact O-N 3Å; K2547-A2550 WeakPolarHBondContact O-CB 3.12Å; K2547-A2550 PolarHBondContact O-N 3.16Å; K2547-A2550 VanDerWaalsContact O-N 3.15Å; A2550-N2552 PolarHBondContact O-N 2.94Å; A2550-R2559 WeakPolarHBondContact O-CD 3.47Å; A2550-R2559 WeakPolarHBondContact O-CG 3.36Å; A2550-R2559 PolarHBondContact O-NE 3.39Å; A2550-A2562 HydrophobicContact CB-CB 4.11Å; A2550-L2586 HydrophobicContact CB-CD2 4.29Å; A2550-L2586 HydrophobicContact CB-CG 4.38Å; A2550-F2590 HydrophobicContact CB-CE2 3.72Å; A2550-F2590 HydrophobicContact CB-CZ 3.7Å |
| 2551 | E | 83 | Confident | 85.1 | Confident | 94 Ų | 94 | 54.3 Ų | 54.3 | 44% | 0.439 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -75.5 | -9.2 | 175.7 | -68.8 | 168.1 | 162.9 | 0 | 0 | 112.9 | K2547 Q2553 | K2547-E2551 WeakPolarHBondContact CE-OE1 3.44Å; K2547-E2551 HydrophobicContact CG-CG 4.41Å; K2547-E2551 WeakPolarHBondContact CG-OE1 3.37Å; K2547-E2551 IonicContact NZ-OE1 2.67Å; K2547-E2551 WeakPolarHBondContact O-CB 3.29Å; K2547-E2551 WeakPolarHBondContact O-CG 3.21Å; K2547-E2551 PolarHBondContact O-N 3.44Å; E2551-Q2553 PolarHBondContact O-N 2.97Å |
| 2552 | N | 83.8 | Confident | 85.3 | Confident | 44 Ų | 44 | 50 Ų | 50 | 24% | 0.235 | 24% | 0.243 | C | C | . | . | trans | -78.5 | 83.2 | -173.3 | -170.9 | -7 | 0 | 0 | 0 | 113.2 | K2548 S2549 A2550 K2554 S2555 L2558 R2559 | K2548-N2552 WeakPolarHBondContact O-CB 3.4Å; K2548-N2552 PolarHBondContact O-N 2.83Å; S2549-N2552 WeakPolarHBondContact O-CB 3.38Å; S2549-N2552 PolarHBondContact O-N 3.49Å; A2550-N2552 PolarHBondContact O-N 2.94Å; N2552-K2554 PolarHBondContact O-N 3.15Å; N2552-K2554 WeakPolarHBondContact OD1-CB 3.28Å; N2552-K2554 PolarHBondContact OD1-N 3.3Å; N2552-S2555 PolarHBondContact O-N 3.36Å; N2552-L2558 HydrophobicContact CB-CD2 4.14Å; N2552-L2558 WeakPolarHBondContact ND2-CD2 3.44Å; N2552-R2559 WeakPolarHBondContact O-CD 3.43Å | ||
| 2553 | Q | 79.4 | Confident | 85.2 | Confident | 179 Ų | 179 | 49.9 Ų | 49.9 | 84% | 0.836 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -20.6 | 177.8 | -65.6 | -179.7 | -10.6 | 0 | 0 | 114.6 | E2551 S2555 | E2551-Q2553 PolarHBondContact O-N 2.97Å; Q2553-S2555 VanDerWaalsContact C-N 3.28Å; Q2553-S2555 PolarHBondContact O-N 2.73Å |
| 2554 | K | 80.6 | Confident | 85.3 | Confident | 172 Ų | 172 | 53.1 Ų | 53.1 | 75% | 0.748 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | 7.8 | -179.2 | -56 | -170 | 177 | -170 | 0 | 115.1 | K2497 N2552 | K2497-K2554 PolarHBondContact NZ-O 3.5Å; N2552-K2554 PolarHBondContact O-N 3.15Å; N2552-K2554 WeakPolarHBondContact OD1-CB 3.28Å; N2552-K2554 PolarHBondContact OD1-N 3.3Å |
| 2555 | S | 83.4 | Confident | 85.5 | Confident | 25 Ų | 25 | 51.4 Ų | 51.4 | 18% | 0.175 | 24% | 0.236 | C | C | . | . | trans | -159.7 | 119.5 | 167.6 | 176.4 | 0 | 0 | 0 | 0 | 111.9 | N2552 Q2553 L2558 R2559 | N2552-S2555 PolarHBondContact O-N 3.36Å; Q2553-S2555 VanDerWaalsContact C-N 3.28Å; Q2553-S2555 PolarHBondContact O-N 2.73Å; S2555-L2558 PolarHBondContact OG-N 2.85Å; S2555-R2559 WeakPolarHBondContact O-CD 3.38Å; S2555-R2559 WeakPolarHBondContact O-CG 3.01Å | ||
| 2556 | Q | 81.4 | Confident | 85.6 | Confident | 91 Ų | 91 | 49.4 Ų | 49.4 | 43% | 0.425 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.3 | -43.6 | 172.9 | -178.4 | 178.7 | -41 | 0 | 0 | 111.8 | L2558 R2559 E2560 L2598 | Q2556-L2558 VanDerWaalsContact C-N 3.34Å; Q2556-L2558 PolarHBondContact O-N 2.91Å; Q2556-R2559 CarbonylContact O-C 3.59Å; Q2556-R2559 WeakPolarHBondContact O-CA 2.74Å; Q2556-R2559 WeakPolarHBondContact O-CB 3.38Å; Q2556-R2559 PolarHBondContact O-N 3.47Å; Q2556-E2560 HydrophobicContact CG-CG 4.38Å; Q2556-E2560 WeakPolarHBondContact CG-OE1 3.33Å; Q2556-E2560 PolarHBondContact NE2-OE1 2.86Å; Q2556-E2560 PolarHBondContact O-N 3.28Å; Q2556-L2598 HydrophobicContact CG-CD1 4.34Å |
| 2557 | L | 81.3 | Confident | 85.6 | Confident | 60 Ų | 60 | 50.7 Ų | 50.7 | 31% | 0.314 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.7 | -33.8 | -173.2 | -158.1 | 138.9 | 0 | 0 | 0 | 112.3 | I2501 R2559 E2560 H2561 | I2501-L2557 HydrophobicContact CB-CD2 4.5Å; I2501-L2557 HydrophobicContact CD1-CB 4.42Å; I2501-L2557 HydrophobicContact CD1-CD2 3.69Å; I2501-L2557 HydrophobicContact CG1-CD2 4.04Å; I2501-L2557 HydrophobicContact CG2-CD2 3.66Å; L2557-R2559 VanDerWaalsContact C-N 3.33Å; L2557-R2559 PolarHBondContact O-N 2.95Å; L2557-E2560 PolarHBondContact O-N 3.37Å; L2557-H2561 PolarHBondContact O-CD2 3.3Å; L2557-H2561 VanDerWaalsContact O-CD2 3.27Å; L2557-H2561 PolarHBondContact O-N 2.93Å |
| 2558 | L | 87.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.1 | -39.7 | 170.1 | -178.9 | 65.9 | 0 | 0 | 0 | 112.1 | Q2500 I2501 L2504 N2552 S2555 Q2556 H2561 A2562 | Q2500-L2558 HydrophobicContact CB-CD1 3.81Å; I2501-L2558 HydrophobicContact CD1-CB 4.31Å; I2501-L2558 HydrophobicContact CG1-CB 4.03Å; I2501-L2558 HydrophobicContact CG1-CD1 3.9Å; L2504-L2558 HydrophobicContact CD1-CD1 3.88Å; N2552-L2558 HydrophobicContact CB-CD2 4.14Å; N2552-L2558 WeakPolarHBondContact ND2-CD2 3.44Å; S2555-L2558 PolarHBondContact OG-N 2.85Å; Q2556-L2558 VanDerWaalsContact C-N 3.34Å; Q2556-L2558 PolarHBondContact O-N 2.91Å; L2558-H2561 PolarHBondContact O-N 3.04Å; L2558-A2562 PolarHBondContact O-N 3.19Å |
| 2559 | R | 88.7 | Confident | 85.7 | Confident | 12 Ų | 12 | 41 Ų | 41 | 5% | 0.045 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -72.4 | -37.6 | 179.4 | -67.1 | 170.8 | 52 | -133.9 | -3.6 | 112.1 | S2549 A2550 N2552 S2555 Q2556 L2557 A2562 L2563 D2593 L2598 | S2549-R2559 WeakPolarHBondContact O-CG 3.14Å; A2550-R2559 WeakPolarHBondContact O-CD 3.47Å; A2550-R2559 WeakPolarHBondContact O-CG 3.36Å; A2550-R2559 PolarHBondContact O-NE 3.39Å; N2552-R2559 WeakPolarHBondContact O-CD 3.43Å; S2555-R2559 WeakPolarHBondContact O-CD 3.38Å; S2555-R2559 WeakPolarHBondContact O-CG 3.01Å; Q2556-R2559 CarbonylContact O-C 3.59Å; Q2556-R2559 WeakPolarHBondContact O-CA 2.74Å; Q2556-R2559 WeakPolarHBondContact O-CB 3.38Å; Q2556-R2559 PolarHBondContact O-N 3.47Å; L2557-R2559 VanDerWaalsContact C-N 3.33Å; L2557-R2559 PolarHBondContact O-N 2.95Å; R2559-A2562 WeakPolarHBondContact O-CB 3.07Å; R2559-A2562 PolarHBondContact O-N 2.81Å; R2559-L2563 PolarHBondContact O-N 3.22Å; R2559-D2593 IonicContact CZ-OD1 3.31Å; R2559-D2593 IonicContact CZ-OD2 3.49Å; R2559-D2593 IonicContact NH2-OD1 3.85Å; R2559-D2593 PolarHBondContact NH2-OD1 3.38Å; R2559-D2593 IonicContact NH2-OD2 3.45Å; R2559-D2593 PolarHBondContact NH2-OD2 2.92Å; R2559-L2598 HydrophobicContact CB-CD1 4.34Å |
| 2560 | E | 86.8 | Confident | 85.7 | Confident | 38 Ų | 38 | 42.2 Ų | 42.2 | 18% | 0.178 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.5 | -47.5 | 169.8 | -73.9 | 178.3 | -150.6 | 0 | 0 | 111.7 | Q2556 L2557 A2562 L2563 R2564 L2598 | Q2556-E2560 HydrophobicContact CG-CG 4.38Å; Q2556-E2560 WeakPolarHBondContact CG-OE1 3.33Å; Q2556-E2560 PolarHBondContact NE2-OE1 2.86Å; Q2556-E2560 PolarHBondContact O-N 3.28Å; L2557-E2560 PolarHBondContact O-N 3.37Å; E2560-A2562 VanDerWaalsContact C-N 3.26Å; E2560-A2562 PolarHBondContact O-N 3.26Å; E2560-L2563 PolarHBondContact O-N 2.88Å; E2560-L2563 VanDerWaalsContact O-N 3.15Å; E2560-R2564 WeakPolarHBondContact O-CG 3.45Å; E2560-R2564 PolarHBondContact O-N 3.36Å; E2560-R2564 IonicContact OE2-CZ 3.56Å; E2560-R2564 IonicContact OE2-NH1 3.78Å; E2560-R2564 PolarHBondContact OE2-NH1 3.01Å; E2560-R2564 VanDerWaalsContact OE2-NH1 3.16Å; E2560-R2564 IonicContact OE2-NH2 3.82Å; E2560-R2564 PolarHBondContact OE2-NH2 2.79Å; E2560-L2598 HydrophobicContact CG-CD2 3.76Å |
| 2561 | H | 89.7 | Confident | 85.8 | Confident | 23 Ų | 23 | 49.4 Ų | 49.4 | 11% | 0.106 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.3 | -31.1 | 177.5 | -84.1 | -101.4 | 0 | 0 | 0 | 112.6 | L2504 L2557 L2558 R2564 T2565 | L2504-H2561 HydrophobicContact CB-CB 4.04Å; L2504-H2561 HydrophobicContact CD1-CB 4.15Å; L2557-H2561 PolarHBondContact O-CD2 3.3Å; L2557-H2561 VanDerWaalsContact O-CD2 3.27Å; L2557-H2561 PolarHBondContact O-N 2.93Å; L2558-H2561 PolarHBondContact O-N 3.04Å; H2561-R2564 PolarHBondContact CD2-NH1 3.42Å; H2561-R2564 PolarHBondContact NE2-NH1 2.99Å; H2561-T2565 WeakPolarHBondContact O-CB 3.45Å; H2561-T2565 PolarHBondContact O-N 3.33Å; H2561-T2565 PolarHBondContact O-OG1 3.22Å |
| 2562 | A | 89.1 | Confident | 86 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.8 | -48.9 | 170 | 0 | 0 | 0 | 0 | 0 | 111.6 | L2504 L2546 A2550 L2558 R2559 E2560 T2565 V2566 | L2504-A2562 HydrophobicContact CD1-CB 4.38Å; L2546-A2562 HydrophobicContact CD2-CB 3.82Å; L2546-A2562 HydrophobicContact CG-CB 4.29Å; A2550-A2562 HydrophobicContact CB-CB 4.11Å; L2558-A2562 PolarHBondContact O-N 3.19Å; R2559-A2562 WeakPolarHBondContact O-CB 3.07Å; R2559-A2562 PolarHBondContact O-N 2.81Å; E2560-A2562 VanDerWaalsContact C-N 3.26Å; E2560-A2562 PolarHBondContact O-N 3.26Å; A2562-T2565 WeakPolarHBondContact O-CB 3.35Å; A2562-T2565 PolarHBondContact O-N 3.37Å; A2562-V2566 PolarHBondContact O-N 2.74Å |
| 2563 | L | 87.3 | Confident | 86.1 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.8 | -39.3 | 176.1 | -69.1 | -177.6 | 0 | 0 | 0 | 113 | R2559 E2560 T2565 V2566 A2567 L2587 F2590 L2598 W2601 L2605 | R2559-L2563 PolarHBondContact O-N 3.22Å; E2560-L2563 PolarHBondContact O-N 2.88Å; E2560-L2563 VanDerWaalsContact O-N 3.15Å; L2563-T2565 VanDerWaalsContact C-N 3.27Å; L2563-T2565 PolarHBondContact O-N 2.88Å; L2563-V2566 PolarHBondContact O-N 3.05Å; L2563-A2567 WeakPolarHBondContact O-CB 3.34Å; L2563-A2567 PolarHBondContact O-N 3.29Å; L2563-L2587 HydrophobicContact CD2-CD2 3.87Å; L2563-F2590 HydrophobicContact CD1-CE1 4.22Å; L2563-F2590 HydrophobicContact CD1-CZ 4.25Å; L2563-F2590 HydrophobicContact CD2-CD2 4.16Å; L2563-F2590 HydrophobicContact CD2-CE2 3.66Å; L2563-F2590 HydrophobicContact CD2-CZ 3.88Å; L2563-F2590 HydrophobicContact CG-CE1 4.48Å; L2563-F2590 HydrophobicContact CG-CE2 4.31Å; L2563-F2590 HydrophobicContact CG-CZ 4.01Å; L2563-L2598 HydrophobicContact CD1-CB 4.33Å; L2563-L2598 HydrophobicContact CD1-CD2 3.95Å; L2563-W2601 HydrophobicContact CB-CD2 4.27Å; L2563-W2601 HydrophobicContact CB-CE3 3.84Å; L2563-W2601 HydrophobicContact CB-CZ3 3.97Å; L2563-W2601 HydrophobicContact CD1-CD2 4.31Å; L2563-W2601 HydrophobicContact CD1-CE3 3.79Å; L2563-W2601 HydrophobicContact CG-CE3 4.49Å; L2563-L2605 HydrophobicContact CB-CD1 4.37Å; L2563-L2605 HydrophobicContact CD2-CD1 4.25Å |
| 2564 | R | 87.9 | Confident | 86.3 | Confident | 77 Ų | 77 | 39.1 Ų | 39.1 | 29% | 0.291 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -56 | -42.8 | 171.2 | -70.7 | 178.4 | -179.1 | 109.7 | 23 | 111.1 | L2508 E2560 H2561 A2567 G2568 W2601 | L2508-R2564 HydrophobicContact CD1-CB 3.52Å; E2560-R2564 WeakPolarHBondContact O-CG 3.45Å; E2560-R2564 PolarHBondContact O-N 3.36Å; E2560-R2564 IonicContact OE2-CZ 3.56Å; E2560-R2564 IonicContact OE2-NH1 3.78Å; E2560-R2564 PolarHBondContact OE2-NH1 3.01Å; E2560-R2564 VanDerWaalsContact OE2-NH1 3.16Å; E2560-R2564 IonicContact OE2-NH2 3.82Å; E2560-R2564 PolarHBondContact OE2-NH2 2.79Å; H2561-R2564 PolarHBondContact CD2-NH1 3.42Å; H2561-R2564 PolarHBondContact NE2-NH1 2.99Å; R2564-A2567 WeakPolarHBondContact O-CB 3.32Å; R2564-A2567 PolarHBondContact O-N 3.36Å; R2564-G2568 PolarHBondContact O-N 3.04Å; R2564-W2601 HydrophobicContact CB-CH2 4.44Å; R2564-W2601 HydrophobicContact CG-CH2 3.42Å; R2564-W2601 VanDerWaalsContact CG-CH2 3.42Å; R2564-W2601 HydrophobicContact CG-CZ2 4.13Å; R2564-W2601 HydrophobicContact CG-CZ3 4.29Å |
| 2565 | T | 90.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.7 | -38.5 | 179.3 | -53.4 | 0 | 0 | 0 | 0 | 111.9 | L2504 A2507 L2511 F2542 L2546 H2561 A2562 L2563 G2568 I2569 | L2504-T2565 HydrophobicContact CD2-CG2 4.37Å; L2504-T2565 PolarHBondContact O-OG1 3.24Å; A2507-T2565 HydrophobicContact CB-CG2 4.46Å; L2511-T2565 HydrophobicContact CD1-CG2 4.23Å; F2542-T2565 HydrophobicContact CE1-CG2 3.78Å; F2542-T2565 HydrophobicContact CZ-CG2 3.84Å; L2546-T2565 HydrophobicContact CD1-CG2 3.65Å; H2561-T2565 WeakPolarHBondContact O-CB 3.45Å; H2561-T2565 PolarHBondContact O-N 3.33Å; H2561-T2565 PolarHBondContact O-OG1 3.22Å; A2562-T2565 WeakPolarHBondContact O-CB 3.35Å; A2562-T2565 PolarHBondContact O-N 3.37Å; L2563-T2565 VanDerWaalsContact C-N 3.27Å; L2563-T2565 PolarHBondContact O-N 2.88Å; T2565-G2568 WeakPolarHBondContact O-CA 3.45Å; T2565-G2568 PolarHBondContact O-N 3.4Å; T2565-G2568 VanDerWaalsContact O-N 3.11Å; T2565-I2569 WeakPolarHBondContact O-CG1 3.36Å; T2565-I2569 PolarHBondContact O-N 3.42Å |
| 2566 | V | 88.7 | Confident | 86.6 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.2 | -43.8 | 171.3 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | L2546 A2562 L2563 G2568 I2569 L2570 I2583 L2586 L2587 L2605 | L2546-V2566 HydrophobicContact CD1-CG2 4.39Å; L2546-V2566 HydrophobicContact CD2-CG2 3.64Å; A2562-V2566 PolarHBondContact O-N 2.74Å; L2563-V2566 PolarHBondContact O-N 3.05Å; V2566-G2568 PolarHBondContact O-N 3.15Å; V2566-I2569 PolarHBondContact O-N 3.25Å; V2566-L2570 HydrophobicContact CG1-CD1 3.86Å; V2566-L2570 WeakPolarHBondContact O-CB 3.42Å; V2566-L2570 WeakPolarHBondContact O-CG 3.25Å; V2566-L2570 PolarHBondContact O-N 2.86Å; V2566-I2583 HydrophobicContact CG1-CG2 3.66Å; V2566-L2586 HydrophobicContact CG2-CD2 4.21Å; V2566-L2587 HydrophobicContact CG1-CD1 4.42Å; V2566-L2587 HydrophobicContact CG1-CD2 4.26Å; V2566-L2605 HydrophobicContact CG1-CD1 4.41Å |
| 2567 | A | 87.3 | Confident | 86.7 | Confident | 27 Ų | 27 | 32.7 Ų | 32.7 | 22% | 0.223 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.4 | -28.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | L2563 R2564 L2605 | L2563-A2567 WeakPolarHBondContact O-CB 3.34Å; L2563-A2567 PolarHBondContact O-N 3.29Å; R2564-A2567 WeakPolarHBondContact O-CB 3.32Å; R2564-A2567 PolarHBondContact O-N 3.36Å; A2567-L2605 HydrophobicContact CB-CD1 4.46Å; A2567-L2605 HydrophobicContact CB-CD2 3.7Å |
| 2568 | G | 86.7 | Confident | 86.7 | Confident | 6 Ų | 6 | 31.3 Ų | 31.3 | 6% | 0.062 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.3 | -53.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R2564 T2565 V2566 L2570 R2571 H2572 | R2564-G2568 PolarHBondContact O-N 3.04Å; T2565-G2568 WeakPolarHBondContact O-CA 3.45Å; T2565-G2568 PolarHBondContact O-N 3.4Å; T2565-G2568 VanDerWaalsContact O-N 3.11Å; V2566-G2568 PolarHBondContact O-N 3.15Å; G2568-L2570 PolarHBondContact O-N 2.91Å; G2568-R2571 WeakPolarHBondContact O-CB 3.23Å; G2568-R2571 PolarHBondContact O-N 3.05Å; G2568-H2572 PolarHBondContact O-CD2 3.16Å |
| 2569 | I | 87.3 | Confident | 86.6 | Confident | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.1 | -38.5 | 179 | -62.3 | 165.2 | 0 | 0 | 0 | 111.3 | L2511 L2546 T2565 V2566 R2571 H2572 F2575 I2583 | L2511-I2569 HydrophobicContact CD1-CG1 3.77Å; L2546-I2569 HydrophobicContact CD1-CD1 4.41Å; T2565-I2569 WeakPolarHBondContact O-CG1 3.36Å; T2565-I2569 PolarHBondContact O-N 3.42Å; V2566-I2569 PolarHBondContact O-N 3.25Å; I2569-R2571 PolarHBondContact O-N 3.22Å; I2569-R2571 VanDerWaalsContact O-N 3.12Å; I2569-H2572 PolarHBondContact O-N 2.72Å; I2569-F2575 HydrophobicContact CG2-CB 4.21Å; I2569-I2583 HydrophobicContact CG2-CD1 3.83Å |
| 2570 | L | 85.8 | Confident | 86.4 | Confident | 32 Ų | 32 | 34.4 Ų | 34.4 | 17% | 0.168 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -19.6 | 176.8 | -85 | 157.6 | 0 | 0 | 0 | 114.5 | V2566 G2568 H2572 M2576 L2605 L2609 | V2566-L2570 HydrophobicContact CG1-CD1 3.86Å; V2566-L2570 WeakPolarHBondContact O-CB 3.42Å; V2566-L2570 WeakPolarHBondContact O-CG 3.25Å; V2566-L2570 PolarHBondContact O-N 2.86Å; G2568-L2570 PolarHBondContact O-N 2.91Å; L2570-H2572 VanDerWaalsContact C-N 3.26Å; L2570-H2572 PolarHBondContact O-N 2.83Å; L2570-M2576 HydrophobicContact CD2-CE 3.45Å; L2570-M2576 VanDerWaalsContact CD2-CE 3.45Å; L2570-M2576 HydrophobicContact CD2-CG 4.35Å; L2570-M2576 HydrophobicContact CD2-SD 3.45Å; L2570-M2576 WeakPolarHBondContact CD2-SD 3.44Å; L2570-M2576 HydrophobicContact CG-CE 4.49Å; L2570-M2576 HydrophobicContact CG-SD 3.87Å; L2570-L2605 HydrophobicContact CD1-CB 4.09Å; L2570-L2605 HydrophobicContact CD1-CD2 3.75Å; L2570-L2605 HydrophobicContact CD1-CG 4.42Å; L2570-L2609 HydrophobicContact CD2-CB 4.23Å; L2570-L2609 HydrophobicContact CD2-CD1 4.45Å |
| 2571 | R | 85.5 | Confident | 86.3 | Confident | 153 Ų | 153 | 38 Ų | 38 | 58% | 0.577 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -13 | 174.3 | -62.7 | 178 | 179.4 | -176.2 | -0.5 | 113.8 | G2568 I2569 P2573 | G2568-R2571 WeakPolarHBondContact O-CB 3.23Å; G2568-R2571 PolarHBondContact O-N 3.05Å; I2569-R2571 PolarHBondContact O-N 3.22Å; I2569-R2571 VanDerWaalsContact O-N 3.12Å; R2571-P2573 WeakPolarHBondContact O-CD 3.16Å |
| 2572 | H | 88.6 | Confident | 86 | Confident | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.019 | 20% | 0.202 | C | C | . | . | trans | -115.9 | 101.5 | -171.5 | -65.2 | -83.2 | 0 | 0 | 0 | 111.6 | L2511 L2514 S2519 G2568 I2569 L2570 S2574 F2575 M2576 | L2511-H2572 PolarHBondContact O-NE2 3.26Å; L2511-H2572 VanDerWaalsContact O-NE2 3.08Å; L2514-H2572 PolarHBondContact O-CE1 2.69Å; S2519-H2572 VanDerWaalsContact CB-ND1 3.27Å; S2519-H2572 WeakPolarHBondContact CB-ND1 3.42Å; S2519-H2572 PolarHBondContact OG-ND1 2.86Å; G2568-H2572 PolarHBondContact O-CD2 3.16Å; I2569-H2572 PolarHBondContact O-N 2.72Å; L2570-H2572 VanDerWaalsContact C-N 3.26Å; L2570-H2572 PolarHBondContact O-N 2.83Å; H2572-S2574 VanDerWaalsContact C-N 3.27Å; H2572-S2574 PolarHBondContact O-N 2.98Å; H2572-F2575 HydrophobicContact CB-CB 4.15Å; H2572-F2575 HydrophobicContact CB-CD2 3.58Å; H2572-F2575 HydrophobicContact CB-CE2 4.35Å; H2572-F2575 HydrophobicContact CB-CG 4.14Å; H2572-F2575 AromaticContact CG-CD2 3.93Å; H2572-F2575 PolarHBondContact O-N 2.88Å; H2572-M2576 WeakPolarHBondContact O-CB 3.11Å; H2572-M2576 PolarHBondContact O-N 3.12Å | ||
| 2573 | P | 85.6 | Confident | 85.9 | Confident | 79 Ų | 79 | 39.1 Ų | 39.1 | 51% | 0.513 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -57.8 | -34 | -176.2 | -27.8 | 36.1 | 0 | 0 | 0 | 114.6 | R2571 M2576 N2577 | R2571-P2573 WeakPolarHBondContact O-CD 3.16Å; P2573-M2576 PolarHBondContact O-N 3.19Å; P2573-N2577 VanDerWaalsContact O-CG 3.23Å; P2573-N2577 PolarHBondContact O-N 2.95Å; P2573-N2577 PolarHBondContact O-ND2 2.88Å |
| 2574 | S | 82.3 | Confident | 86 | Confident | 18 Ų | 18 | 43.2 Ų | 43.2 | 13% | 0.126 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.2 | -50.1 | 178.7 | 57 | 0 | 0 | 0 | 0 | 112.1 | S2519 A2520 H2572 M2576 N2577 L2578 | S2519-S2574 WeakPolarHBondContact O-CB 3.48Å; S2519-S2574 PolarHBondContact O-OG 2.9Å; S2519-S2574 PolarHBondContact OG-OG 3.09Å; A2520-S2574 PolarHBondContact N-OG 3.37Å; H2572-S2574 VanDerWaalsContact C-N 3.27Å; H2572-S2574 PolarHBondContact O-N 2.98Å; S2574-M2576 VanDerWaalsContact C-N 3.33Å; S2574-M2576 PolarHBondContact O-N 3.45Å; S2574-N2577 PolarHBondContact O-N 3.49Å; S2574-L2578 PolarHBondContact O-N 3.45Å |
| 2575 | F | 88 | Confident | 85.8 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.4 | -40.4 | 174.1 | -60.7 | -29.9 | 0 | 0 | 0 | 110.9 | F2481 L2511 L2514 I2522 V2523 L2537 L2539 I2569 H2572 N2577 L2578 C2579 | F2481-F2575 HydrophobicContact CE1-CE1 4.3Å; F2481-F2575 HydrophobicContact CE1-CE2 4.48Å; F2481-F2575 AromaticContact CE1-CZ 3.79Å; F2481-F2575 HydrophobicContact CE1-CZ 3.79Å; F2481-F2575 HydrophobicContact CZ-CE2 4.07Å; F2481-F2575 AromaticContact CZ-CZ 3.82Å; F2481-F2575 HydrophobicContact CZ-CZ 3.82Å; L2511-F2575 HydrophobicContact CD2-CD2 4.19Å; L2511-F2575 HydrophobicContact CD2-CE2 4.1Å; L2514-F2575 HydrophobicContact CD1-CE2 4.42Å; I2522-F2575 HydrophobicContact CD1-CZ 4.43Å; I2522-F2575 HydrophobicContact CG2-CE1 4.05Å; I2522-F2575 HydrophobicContact CG2-CZ 4.22Å; V2523-F2575 HydrophobicContact CG2-CD1 3.77Å; V2523-F2575 HydrophobicContact CG2-CE1 3.82Å; L2537-F2575 HydrophobicContact CD1-CE1 4.4Å; L2539-F2575 HydrophobicContact CD1-CD1 3.79Å; L2539-F2575 HydrophobicContact CD1-CE1 4.12Å; L2539-F2575 HydrophobicContact CD1-CG 4.33Å; I2569-F2575 HydrophobicContact CG2-CB 4.21Å; H2572-F2575 HydrophobicContact CB-CB 4.15Å; H2572-F2575 HydrophobicContact CB-CD2 3.58Å; H2572-F2575 HydrophobicContact CB-CE2 4.35Å; H2572-F2575 HydrophobicContact CB-CG 4.14Å; H2572-F2575 AromaticContact CG-CD2 3.93Å; H2572-F2575 PolarHBondContact O-N 2.88Å; F2575-N2577 VanDerWaalsContact C-N 3.32Å; F2575-N2577 PolarHBondContact O-N 2.84Å; F2575-L2578 PolarHBondContact O-N 2.68Å; F2575-L2578 VanDerWaalsContact O-N 3.11Å; F2575-C2579 VanDerWaalsContact O-CB 3.27Å; F2575-C2579 WeakPolarHBondContact O-CB 3.3Å; F2575-C2579 PolarHBondContact O-N 3.38Å; F2575-C2579 PolarHBondContact O-SG 2.81Å |
| 2576 | M | 83.3 | Confident | 85.5 | Confident | 19 Ų | 19 | 45 Ų | 45 | 9% | 0.094 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57 | -42.6 | 174.9 | -88 | -63.6 | -65 | 0 | 0 | 113.1 | L2570 H2572 P2573 S2574 L2578 C2579 K2580 I2583 L2609 | L2570-M2576 HydrophobicContact CD2-CE 3.45Å; L2570-M2576 VanDerWaalsContact CD2-CE 3.45Å; L2570-M2576 HydrophobicContact CD2-CG 4.35Å; L2570-M2576 HydrophobicContact CD2-SD 3.45Å; L2570-M2576 WeakPolarHBondContact CD2-SD 3.44Å; L2570-M2576 HydrophobicContact CG-CE 4.49Å; L2570-M2576 HydrophobicContact CG-SD 3.87Å; H2572-M2576 WeakPolarHBondContact O-CB 3.11Å; H2572-M2576 PolarHBondContact O-N 3.12Å; P2573-M2576 PolarHBondContact O-N 3.19Å; S2574-M2576 VanDerWaalsContact C-N 3.33Å; S2574-M2576 PolarHBondContact O-N 3.45Å; M2576-L2578 VanDerWaalsContact C-N 3.3Å; M2576-L2578 PolarHBondContact O-N 3.07Å; M2576-C2579 PolarHBondContact O-N 2.8Å; M2576-K2580 WeakPolarHBondContact O-CA 3.27Å; M2576-K2580 WeakPolarHBondContact O-CB 3.32Å; M2576-K2580 PolarHBondContact O-N 3.41Å; M2576-I2583 HydrophobicContact SD-CD1 3.78Å; M2576-L2609 HydrophobicContact CE-CB 4.29Å; M2576-L2609 HydrophobicContact CE-CD1 3.83Å; M2576-L2609 HydrophobicContact CE-CG 3.76Å |
| 2577 | N | 82.8 | Confident | 85.4 | Confident | 134 Ų | 134 | 45.1 Ų | 45.1 | 72% | 0.717 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -66.2 | -28.8 | 177.2 | -72.9 | -21.6 | 0 | 0 | 0 | 113.4 | P2573 S2574 F2575 | P2573-N2577 VanDerWaalsContact O-CG 3.23Å; P2573-N2577 PolarHBondContact O-N 2.95Å; P2573-N2577 PolarHBondContact O-ND2 2.88Å; S2574-N2577 PolarHBondContact O-N 3.49Å; F2575-N2577 VanDerWaalsContact C-N 3.32Å; F2575-N2577 PolarHBondContact O-N 2.84Å |
| 2578 | L | 82.1 | Confident | 85.3 | Confident | 32 Ų | 32 | 48.8 Ų | 48.8 | 17% | 0.168 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -77.2 | -33.7 | 172.7 | -64 | 175.7 | 0 | 0 | 0 | 112.7 | V2523 A2530 F2534 L2537 S2574 F2575 M2576 | V2523-L2578 HydrophobicContact CG1-CD1 4.15Å; V2523-L2578 HydrophobicContact CG2-CD1 3.74Å; A2530-L2578 HydrophobicContact CB-CD2 3.69Å; F2534-L2578 HydrophobicContact CD2-CB 4.2Å; L2537-L2578 HydrophobicContact CD1-CD1 4.4Å; S2574-L2578 PolarHBondContact O-N 3.45Å; F2575-L2578 PolarHBondContact O-N 2.68Å; F2575-L2578 VanDerWaalsContact O-N 3.11Å; M2576-L2578 VanDerWaalsContact C-N 3.3Å; M2576-L2578 PolarHBondContact O-N 3.07Å |
| 2579 | C | 84.2 | Confident | 85 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.007 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -104.2 | -7.7 | -164.4 | -60.3 | 0 | 0 | 0 | 0 | 114.6 | F2534 L2543 F2575 M2576 D2581 S2582 I2583 | F2534-C2579 VanDerWaalsContact CE2-SG 3.58Å; L2543-C2579 HydrophobicContact CD1-CB 3.66Å; L2543-C2579 WeakPolarHBondContact CD1-SG 3.26Å; F2575-C2579 VanDerWaalsContact O-CB 3.27Å; F2575-C2579 WeakPolarHBondContact O-CB 3.3Å; F2575-C2579 PolarHBondContact O-N 3.38Å; F2575-C2579 PolarHBondContact O-SG 2.81Å; M2576-C2579 PolarHBondContact O-N 2.8Å; C2579-D2581 PolarHBondContact O-N 3.19Å; C2579-S2582 WeakPolarHBondContact O-CB 3.21Å; C2579-S2582 PolarHBondContact O-N 2.89Å; C2579-I2583 HydrophobicContact CB-CD1 3.64Å; C2579-I2583 HydrophobicContact CB-CG1 4.06Å; C2579-I2583 PolarHBondContact O-N 2.91Å |
| 2580 | K | 84.6 | Confident | 84.7 | Confident | 75 Ų | 75 | 50.9 Ų | 50.9 | 33% | 0.326 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -47.2 | -52.4 | -163.2 | -168.1 | 160.3 | -170.5 | 145.9 | 0 | 115 | M2576 S2582 I2583 R2584 L2609 | M2576-K2580 WeakPolarHBondContact O-CA 3.27Å; M2576-K2580 WeakPolarHBondContact O-CB 3.32Å; M2576-K2580 PolarHBondContact O-N 3.41Å; K2580-S2582 PolarHBondContact O-N 3.24Å; K2580-I2583 PolarHBondContact O-N 3.24Å; K2580-R2584 WeakPolarHBondContact O-CB 3.27Å; K2580-R2584 PolarHBondContact O-N 2.93Å; K2580-L2609 WeakPolarHBondContact CE-O 3.46Å; K2580-L2609 HydrophobicContact CG-CD2 4.11Å; K2580-L2609 HydrophobicContact CG-CG 4.44Å; K2580-L2609 PolarHBondContact NZ-O 3.46Å |
| 2581 | D | 84.8 | Confident | 84.3 | Confident | 114 Ų | 114 | 52.6 Ų | 52.6 | 61% | 0.61 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -70.3 | -32.8 | -176.5 | -61.5 | -41.1 | 0 | 0 | 0 | 112.7 | C2579 Q2585 | C2579-D2581 PolarHBondContact O-N 3.19Å; D2581-Q2585 WeakPolarHBondContact O-CG 3.48Å; D2581-Q2585 PolarHBondContact O-N 3.22Å |
| 2582 | S | 83.9 | Confident | 83.8 | Confident | 47 Ų | 47 | 52.2 Ų | 52.2 | 33% | 0.329 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.6 | -42 | 175.9 | -62.9 | 0 | 0 | 0 | 0 | 111.5 | C2579 K2580 L2586 | C2579-S2582 WeakPolarHBondContact O-CB 3.21Å; C2579-S2582 PolarHBondContact O-N 2.89Å; K2580-S2582 PolarHBondContact O-N 3.24Å; S2582-L2586 WeakPolarHBondContact O-CB 3.05Å; S2582-L2586 PolarHBondContact O-N 2.91Å |
| 2583 | I | 87.5 | Confident | 83.3 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.7 | -39.6 | 177.3 | -60.1 | 171.9 | 0 | 0 | 0 | 110.4 | L2543 V2566 I2569 M2576 C2579 K2580 Q2585 L2586 L2587 L2609 | L2543-I2583 HydrophobicContact CD2-CG1 3.8Å; V2566-I2583 HydrophobicContact CG1-CG2 3.66Å; I2569-I2583 HydrophobicContact CG2-CD1 3.83Å; M2576-I2583 HydrophobicContact SD-CD1 3.78Å; C2579-I2583 HydrophobicContact CB-CD1 3.64Å; C2579-I2583 HydrophobicContact CB-CG1 4.06Å; C2579-I2583 PolarHBondContact O-N 2.91Å; K2580-I2583 PolarHBondContact O-N 3.24Å; I2583-Q2585 PolarHBondContact O-N 2.99Å; I2583-L2586 PolarHBondContact O-N 3.13Å; I2583-L2587 HydrophobicContact CG2-CD1 3.85Å; I2583-L2587 HydrophobicContact CG2-CG 4.18Å; I2583-L2587 WeakPolarHBondContact O-CG 3.47Å; I2583-L2587 PolarHBondContact O-N 2.83Å; I2583-L2609 HydrophobicContact CB-CD1 3.72Å; I2583-L2609 HydrophobicContact CG2-CD1 3.38Å |
| 2584 | R | 87.7 | Confident | 83 | Confident | 85 Ų | 85 | 53.4 Ų | 53.4 | 32% | 0.321 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 174.7 | -174.5 | 165.6 | -78.2 | 161.4 | -8.7 | 112.2 | K2580 L2586 Q2588 M2606 L2609 | K2580-R2584 WeakPolarHBondContact O-CB 3.27Å; K2580-R2584 PolarHBondContact O-N 2.93Å; R2584-L2586 VanDerWaalsContact C-N 3.34Å; R2584-L2586 PolarHBondContact O-N 3.37Å; R2584-Q2588 VanDerWaalsContact O-CB 3.32Å; R2584-Q2588 WeakPolarHBondContact O-CB 3.41Å; R2584-Q2588 VanDerWaalsContact O-CG 3.25Å; R2584-Q2588 WeakPolarHBondContact O-CG 3.35Å; R2584-Q2588 PolarHBondContact O-N 3.32Å; R2584-M2606 HydrophobicContact CG-CE 4.37Å; R2584-M2606 HydrophobicContact CG-SD 4.41Å; R2584-L2609 HydrophobicContact CB-CD2 3.86Å; R2584-L2609 HydrophobicContact CG-CD2 4.33Å; R2584-L2609 VanDerWaalsContact NE-CD2 3.32Å; R2584-L2609 PolarHBondContact NH2-OXT 3.03Å |
| 2585 | Q | 84.1 | Confident | 83 | Confident | 113 Ų | 113 | 54.7 Ų | 54.7 | 53% | 0.528 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 174.3 | -74 | -178.6 | 16.9 | 0 | 0 | 112.7 | D2581 I2583 S2589 | D2581-Q2585 WeakPolarHBondContact O-CG 3.48Å; D2581-Q2585 PolarHBondContact O-N 3.22Å; I2583-Q2585 PolarHBondContact O-N 2.99Å; Q2585-S2589 PolarHBondContact O-N 3.18Å |
| 2586 | L | 84.1 | Confident | 82.6 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.9 | -50.1 | 178.7 | -176.2 | 157.1 | 0 | 0 | 0 | 110.9 | L2546 K2547 A2550 V2566 S2582 I2583 R2584 Q2588 S2589 F2590 | L2546-L2586 HydrophobicContact CD2-CD1 3.56Å; K2547-L2586 HydrophobicContact CB-CD1 3.96Å; A2550-L2586 HydrophobicContact CB-CD2 4.29Å; A2550-L2586 HydrophobicContact CB-CG 4.38Å; V2566-L2586 HydrophobicContact CG2-CD2 4.21Å; S2582-L2586 WeakPolarHBondContact O-CB 3.05Å; S2582-L2586 PolarHBondContact O-N 2.91Å; I2583-L2586 PolarHBondContact O-N 3.13Å; R2584-L2586 VanDerWaalsContact C-N 3.34Å; R2584-L2586 PolarHBondContact O-N 3.37Å; L2586-Q2588 VanDerWaalsContact C-N 3.34Å; L2586-Q2588 PolarHBondContact O-N 3.42Å; L2586-S2589 WeakPolarHBondContact O-CB 3.32Å; L2586-S2589 PolarHBondContact O-N 3.1Å; L2586-S2589 VanDerWaalsContact O-N 3.14Å; L2586-S2589 PolarHBondContact O-OG 3.07Å; L2586-F2590 HydrophobicContact CD2-CD2 4.43Å; L2586-F2590 HydrophobicContact CD2-CE2 3.93Å |
| 2587 | L | 86.3 | Confident | 82.3 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.2 | -32.9 | -179.9 | -67.3 | 174.1 | 0 | 0 | 0 | 112.3 | L2563 V2566 I2583 S2589 F2590 A2602 L2605 M2606 L2609 | L2563-L2587 HydrophobicContact CD2-CD2 3.87Å; V2566-L2587 HydrophobicContact CG1-CD1 4.42Å; V2566-L2587 HydrophobicContact CG1-CD2 4.26Å; I2583-L2587 HydrophobicContact CG2-CD1 3.85Å; I2583-L2587 HydrophobicContact CG2-CG 4.18Å; I2583-L2587 WeakPolarHBondContact O-CG 3.47Å; I2583-L2587 PolarHBondContact O-N 2.83Å; L2587-S2589 PolarHBondContact O-N 3.16Å; L2587-F2590 PolarHBondContact O-N 2.94Å; L2587-A2602 HydrophobicContact CD2-CB 4.17Å; L2587-L2605 HydrophobicContact CD1-CB 3.9Å; L2587-L2605 HydrophobicContact CD2-CB 4.04Å; L2587-L2605 HydrophobicContact CD2-CD1 4.24Å; L2587-M2606 HydrophobicContact CB-CG 3.63Å; L2587-M2606 HydrophobicContact CB-SD 3.6Å; L2587-M2606 HydrophobicContact CD1-CG 4.04Å; L2587-M2606 HydrophobicContact CD1-SD 4.1Å; L2587-M2606 HydrophobicContact CG-CG 4.45Å; L2587-L2609 HydrophobicContact CD1-CD1 4.39Å |
| 2588 | Q | 85.1 | Confident | 82.4 | Confident | 104 Ų | 104 | 54.9 Ų | 54.9 | 49% | 0.486 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.9 | -31.2 | 171.5 | -80.4 | 175.7 | -24.2 | 0 | 0 | 112.9 | R2584 L2586 F2590 S2591 M2606 | R2584-Q2588 VanDerWaalsContact O-CB 3.32Å; R2584-Q2588 WeakPolarHBondContact O-CB 3.41Å; R2584-Q2588 VanDerWaalsContact O-CG 3.25Å; R2584-Q2588 WeakPolarHBondContact O-CG 3.35Å; R2584-Q2588 PolarHBondContact O-N 3.32Å; L2586-Q2588 VanDerWaalsContact C-N 3.34Å; L2586-Q2588 PolarHBondContact O-N 3.42Å; Q2588-F2590 PolarHBondContact O-N 3.22Å; Q2588-S2591 WeakPolarHBondContact O-CB 3.33Å; Q2588-S2591 PolarHBondContact O-N 2.75Å; Q2588-S2591 VanDerWaalsContact O-N 3.11Å; Q2588-S2591 PolarHBondContact O-OG 3.4Å; Q2588-S2591 VanDerWaalsContact O-OG 3.13Å; Q2588-M2606 HydrophobicContact CG-CE 4.06Å |
| 2589 | S | 80.2 | Confident | 82.4 | Confident | 51 Ų | 51 | 56.8 Ų | 56.8 | 36% | 0.357 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.4 | -24.5 | 177.5 | 75.8 | 0 | 0 | 0 | 0 | 113.4 | Q2585 L2586 L2587 S2591 | Q2585-S2589 PolarHBondContact O-N 3.18Å; L2586-S2589 WeakPolarHBondContact O-CB 3.32Å; L2586-S2589 PolarHBondContact O-N 3.1Å; L2586-S2589 VanDerWaalsContact O-N 3.14Å; L2586-S2589 PolarHBondContact O-OG 3.07Å; L2587-S2589 PolarHBondContact O-N 3.16Å; S2589-S2591 VanDerWaalsContact C-N 3.35Å |
| 2590 | F | 83 | Confident | 82.5 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.009 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -79.7 | -5.8 | 175.4 | -74.4 | -87.2 | 0 | 0 | 0 | 114.4 | A2550 L2563 L2586 L2587 Q2588 N2592 D2593 L2598 A2602 | A2550-F2590 HydrophobicContact CB-CE2 3.72Å; A2550-F2590 HydrophobicContact CB-CZ 3.7Å; L2563-F2590 HydrophobicContact CD1-CE1 4.22Å; L2563-F2590 HydrophobicContact CD1-CZ 4.25Å; L2563-F2590 HydrophobicContact CD2-CD2 4.16Å; L2563-F2590 HydrophobicContact CD2-CE2 3.66Å; L2563-F2590 HydrophobicContact CD2-CZ 3.88Å; L2563-F2590 HydrophobicContact CG-CE1 4.48Å; L2563-F2590 HydrophobicContact CG-CE2 4.31Å; L2563-F2590 HydrophobicContact CG-CZ 4.01Å; L2586-F2590 HydrophobicContact CD2-CD2 4.43Å; L2586-F2590 HydrophobicContact CD2-CE2 3.93Å; L2587-F2590 PolarHBondContact O-N 2.94Å; Q2588-F2590 PolarHBondContact O-N 3.22Å; F2590-N2592 PolarHBondContact O-N 2.94Å; F2590-D2593 WeakPolarHBondContact CD1-OD2 3.5Å; F2590-D2593 WeakPolarHBondContact O-CB 3.33Å; F2590-D2593 PolarHBondContact O-N 3.38Å; F2590-L2598 HydrophobicContact CD1-CB 4.37Å; F2590-L2598 HydrophobicContact CE1-CB 4.44Å; F2590-A2602 HydrophobicContact CB-CB 3.5Å; F2590-A2602 VanDerWaalsContact CB-CB 3.5Å; F2590-A2602 HydrophobicContact CD2-CB 4.31Å; F2590-A2602 HydrophobicContact CG-CB 3.96Å |
| 2591 | S | 77.3 | Confident | 82.6 | Confident | 68 Ų | 68 | 60.1 Ų | 60.1 | 48% | 0.476 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -59.2 | -37 | 179 | 68.4 | 0 | 0 | 0 | 0 | 111.7 | Q2588 S2589 R2599 | Q2588-S2591 WeakPolarHBondContact O-CB 3.33Å; Q2588-S2591 PolarHBondContact O-N 2.75Å; Q2588-S2591 VanDerWaalsContact O-N 3.11Å; Q2588-S2591 PolarHBondContact O-OG 3.4Å; Q2588-S2591 VanDerWaalsContact O-OG 3.13Å; S2589-S2591 VanDerWaalsContact C-N 3.35Å; S2591-R2599 PolarHBondContact O-NH1 2.68Å |
| 2592 | N | 73.7 | Confident | 82.7 | Confident | 145 Ų | 145 | 54.9 Ų | 54.9 | 78% | 0.775 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -100.9 | 18.8 | -172.9 | -60.8 | 2.2 | 0 | 0 | 0 | 112.5 | F2590 | F2590-N2592 PolarHBondContact O-N 2.94Š|
| 2593 | D | 78.9 | Confident | 82.7 | Confident | 35 Ų | 35 | 55.4 Ų | 55.4 | 19% | 0.187 | 31% | 0.31 | C | S | . | . | trans | -67.9 | 161.2 | -175.1 | -149.2 | -76.9 | 0 | 0 | 0 | 113.7 | R2559 F2590 V2595 R2599 | R2559-D2593 IonicContact CZ-OD1 3.31Å; R2559-D2593 IonicContact CZ-OD2 3.49Å; R2559-D2593 IonicContact NH2-OD1 3.85Å; R2559-D2593 PolarHBondContact NH2-OD1 3.38Å; R2559-D2593 IonicContact NH2-OD2 3.45Å; R2559-D2593 PolarHBondContact NH2-OD2 2.92Å; F2590-D2593 WeakPolarHBondContact CD1-OD2 3.5Å; F2590-D2593 WeakPolarHBondContact O-CB 3.33Å; F2590-D2593 PolarHBondContact O-N 3.38Å; D2593-V2595 PolarHBondContact OD1-N 3.05Å; D2593-R2599 PolarHBondContact O-NH1 3.43Å; D2593-R2599 PolarHBondContact O-NH2 2.86Å | ||
| 2594 | G | 77.8 | Confident | 82.6 | Confident | 74 Ų | 74 | 60.1 Ų | 60.1 | 76% | 0.763 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -82.6 | -28.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 2595 | V | 82.8 | Confident | 82.6 | Confident | 44 Ų | 44 | 56.7 Ų | 56.7 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | trans | -95 | 108.3 | -173.5 | -175.8 | 0 | 0 | 0 | 0 | 110.7 | D2593 A2597 L2598 R2599 | D2593-V2595 PolarHBondContact OD1-N 3.05Å; V2595-A2597 PolarHBondContact O-N 3.36Å; V2595-L2598 HydrophobicContact CB-CB 4.3Å; V2595-L2598 HydrophobicContact CB-CD1 4Å; V2595-L2598 HydrophobicContact CB-CG 4.14Å; V2595-L2598 HydrophobicContact CG1-CB 4.38Å; V2595-L2598 HydrophobicContact CG1-CD1 4.06Å; V2595-L2598 HydrophobicContact CG1-CG 3.87Å; V2595-L2598 HydrophobicContact CG2-CD1 4.42Å; V2595-L2598 PolarHBondContact O-N 2.96Å; V2595-L2598 VanDerWaalsContact O-N 3.1Å; V2595-R2599 PolarHBondContact O-N 3.06Å; V2595-R2599 VanDerWaalsContact O-N 3.1Å | ||
| 2596 | Q | 79.8 | Confident | 82.6 | Confident | 100 Ų | 100 | 53.9 Ų | 53.9 | 47% | 0.467 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.3 | -44 | -173.3 | -171.2 | 59.9 | 28.8 | 0 | 0 | 113.5 | L2598 R2599 D2600 | Q2596-L2598 PolarHBondContact O-N 2.98Å; Q2596-R2599 WeakPolarHBondContact O-CA 3.4Å; Q2596-R2599 WeakPolarHBondContact O-CB 3.48Å; Q2596-R2599 PolarHBondContact O-N 3.39Å; Q2596-R2599 VanDerWaalsContact OE1-NH2 3.09Å; Q2596-D2600 PolarHBondContact NE2-OD1 3.32Å; Q2596-D2600 VanDerWaalsContact O-CG 3.28Å; Q2596-D2600 PolarHBondContact O-N 3.14Å |
| 2597 | A | 77.7 | Confident | 82.5 | Confident | 52 Ų | 52 | 60.6 Ų | 60.6 | 43% | 0.43 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.5 | -31.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V2595 W2601 | V2595-A2597 PolarHBondContact O-N 3.36Å; A2597-W2601 WeakPolarHBondContact O-CB 3.28Å; A2597-W2601 PolarHBondContact O-N 2.84Å; A2597-W2601 VanDerWaalsContact O-N 3.13Å |
| 2598 | L | 83.7 | Confident | 82.2 | Confident | 5 Ų | 5 | 63.6 Ų | 63.6 | 3% | 0.026 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -77.7 | -35 | 175.2 | -60.4 | 179.5 | 0 | 0 | 0 | 111.6 | Q2556 R2559 E2560 L2563 F2590 V2595 Q2596 W2601 A2602 | Q2556-L2598 HydrophobicContact CG-CD1 4.34Å; R2559-L2598 HydrophobicContact CB-CD1 4.34Å; E2560-L2598 HydrophobicContact CG-CD2 3.76Å; L2563-L2598 HydrophobicContact CD1-CB 4.33Å; L2563-L2598 HydrophobicContact CD1-CD2 3.95Å; F2590-L2598 HydrophobicContact CD1-CB 4.37Å; F2590-L2598 HydrophobicContact CE1-CB 4.44Å; V2595-L2598 HydrophobicContact CB-CB 4.3Å; V2595-L2598 HydrophobicContact CB-CD1 4Å; V2595-L2598 HydrophobicContact CB-CG 4.14Å; V2595-L2598 HydrophobicContact CG1-CB 4.38Å; V2595-L2598 HydrophobicContact CG1-CD1 4.06Å; V2595-L2598 HydrophobicContact CG1-CG 3.87Å; V2595-L2598 HydrophobicContact CG2-CD1 4.42Å; V2595-L2598 PolarHBondContact O-N 2.96Å; V2595-L2598 VanDerWaalsContact O-N 3.1Å; Q2596-L2598 PolarHBondContact O-N 2.98Å; L2598-W2601 HydrophobicContact CD2-CE3 4.4Å; L2598-A2602 WeakPolarHBondContact O-CB 3.39Å; L2598-A2602 PolarHBondContact O-N 3.15Å |
| 2599 | R | 83.9 | Confident | 81.7 | Confident | 72 Ų | 72 | 60.2 Ų | 60.2 | 27% | 0.272 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.9 | -47.9 | 171.7 | -161.9 | -154.1 | -44.3 | -64.4 | -11.5 | 111.2 | S2591 D2593 V2595 Q2596 A2602 S2603 | S2591-R2599 PolarHBondContact O-NH1 2.68Å; D2593-R2599 PolarHBondContact O-NH1 3.43Å; D2593-R2599 PolarHBondContact O-NH2 2.86Å; V2595-R2599 PolarHBondContact O-N 3.06Å; V2595-R2599 VanDerWaalsContact O-N 3.1Å; Q2596-R2599 WeakPolarHBondContact O-CA 3.4Å; Q2596-R2599 WeakPolarHBondContact O-CB 3.48Å; Q2596-R2599 PolarHBondContact O-N 3.39Å; Q2596-R2599 VanDerWaalsContact OE1-NH2 3.09Å; R2599-A2602 PolarHBondContact O-N 2.92Å; R2599-S2603 WeakPolarHBondContact O-CB 3.41Å; R2599-S2603 PolarHBondContact O-N 3.29Å |
| 2600 | D | 85.4 | Confident | 81.8 | Confident | 78 Ų | 78 | 60.7 Ų | 60.7 | 42% | 0.417 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.7 | -47.1 | 179.8 | -65.6 | -24.6 | 0 | 0 | 0 | 110.5 | Q2596 S2603 E2604 | Q2596-D2600 PolarHBondContact NE2-OD1 3.32Å; Q2596-D2600 VanDerWaalsContact O-CG 3.28Å; Q2596-D2600 PolarHBondContact O-N 3.14Å; D2600-S2603 WeakPolarHBondContact O-CB 3.36Å; D2600-S2603 PolarHBondContact O-N 3.41Å; D2600-S2603 PolarHBondContact O-OG 2.92Å; D2600-E2604 PolarHBondContact O-N 2.91Å |
| 2601 | W | 85.7 | Confident | 81.7 | Confident | 69 Ų | 69 | 63.8 Ų | 63.8 | 26% | 0.261 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 178.6 | -167.8 | 20.6 | 0 | 0 | 0 | 112.9 | L2563 R2564 A2597 L2598 S2603 E2604 L2605 | L2563-W2601 HydrophobicContact CB-CD2 4.27Å; L2563-W2601 HydrophobicContact CB-CE3 3.84Å; L2563-W2601 HydrophobicContact CB-CZ3 3.97Å; L2563-W2601 HydrophobicContact CD1-CD2 4.31Å; L2563-W2601 HydrophobicContact CD1-CE3 3.79Å; L2563-W2601 HydrophobicContact CG-CE3 4.49Å; R2564-W2601 HydrophobicContact CB-CH2 4.44Å; R2564-W2601 HydrophobicContact CG-CH2 3.42Å; R2564-W2601 VanDerWaalsContact CG-CH2 3.42Å; R2564-W2601 HydrophobicContact CG-CZ2 4.13Å; R2564-W2601 HydrophobicContact CG-CZ3 4.29Å; A2597-W2601 WeakPolarHBondContact O-CB 3.28Å; A2597-W2601 PolarHBondContact O-N 2.84Å; A2597-W2601 VanDerWaalsContact O-N 3.13Å; L2598-W2601 HydrophobicContact CD2-CE3 4.4Å; W2601-S2603 PolarHBondContact O-N 3.14Å; W2601-E2604 PolarHBondContact O-N 3.5Å; W2601-E2604 VanDerWaalsContact O-N 3.16Å; W2601-L2605 WeakPolarHBondContact O-CG 3.44Å; W2601-L2605 PolarHBondContact O-N 3.47Å |
| 2602 | A | 87.5 | Confident | 82 | Confident | 4 Ų | 4 | 63.6 Ų | 63.6 | 3% | 0.033 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.2 | -32.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | L2587 F2590 L2598 R2599 M2606 | L2587-A2602 HydrophobicContact CD2-CB 4.17Å; F2590-A2602 HydrophobicContact CB-CB 3.5Å; F2590-A2602 VanDerWaalsContact CB-CB 3.5Å; F2590-A2602 HydrophobicContact CD2-CB 4.31Å; F2590-A2602 HydrophobicContact CG-CB 3.96Å; L2598-A2602 WeakPolarHBondContact O-CB 3.39Å; L2598-A2602 PolarHBondContact O-N 3.15Å; R2599-A2602 PolarHBondContact O-N 2.92Å; A2602-M2606 WeakPolarHBondContact O-CB 3.44Å; A2602-M2606 VanDerWaalsContact O-CG 3.31Å; A2602-M2606 WeakPolarHBondContact O-CG 3.48Å; A2602-M2606 PolarHBondContact O-N 3.16Å |
| 2603 | S | 84.6 | Confident | 82.5 | Confident | 58 Ų | 58 | 58.8 Ų | 58.8 | 41% | 0.406 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.7 | -38.5 | 172.7 | 85.5 | 0 | 0 | 0 | 0 | 112.7 | R2599 D2600 W2601 M2606 N2607 | R2599-S2603 WeakPolarHBondContact O-CB 3.41Å; R2599-S2603 PolarHBondContact O-N 3.29Å; D2600-S2603 WeakPolarHBondContact O-CB 3.36Å; D2600-S2603 PolarHBondContact O-N 3.41Å; D2600-S2603 PolarHBondContact O-OG 2.92Å; W2601-S2603 PolarHBondContact O-N 3.14Å; S2603-M2606 PolarHBondContact O-N 3.33Å; S2603-N2607 VanDerWaalsContact O-CG 3.24Å; S2603-N2607 PolarHBondContact O-N 3.06Å; S2603-N2607 PolarHBondContact O-ND2 3.36Å; S2603-N2607 VanDerWaalsContact O-ND2 3.09Å |
| 2604 | E | 85.2 | Confident | 82.7 | Confident | 98 Ų | 98 | 60.3 Ų | 60.3 | 46% | 0.458 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.6 | -41 | 174.3 | -171.6 | 167.3 | -148 | 0 | 0 | 111.2 | D2600 W2601 N2607 S2608 | D2600-E2604 PolarHBondContact O-N 2.91Å; W2601-E2604 PolarHBondContact O-N 3.5Å; W2601-E2604 VanDerWaalsContact O-N 3.16Å; E2604-N2607 PolarHBondContact O-N 2.94Å; E2604-S2608 PolarHBondContact O-N 3.25Å |
| 2605 | L | 86.6 | Confident | 83 | Confident | 13 Ų | 13 | 59.3 Ų | 59.3 | 7% | 0.068 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.7 | -37 | 174.1 | -63 | 173.8 | 0 | 0 | 0 | 112.3 | L2563 V2566 A2567 L2570 L2587 W2601 N2607 S2608 | L2563-L2605 HydrophobicContact CB-CD1 4.37Å; L2563-L2605 HydrophobicContact CD2-CD1 4.25Å; V2566-L2605 HydrophobicContact CG1-CD1 4.41Å; A2567-L2605 HydrophobicContact CB-CD1 4.46Å; A2567-L2605 HydrophobicContact CB-CD2 3.7Å; L2570-L2605 HydrophobicContact CD1-CB 4.09Å; L2570-L2605 HydrophobicContact CD1-CD2 3.75Å; L2570-L2605 HydrophobicContact CD1-CG 4.42Å; L2587-L2605 HydrophobicContact CD1-CB 3.9Å; L2587-L2605 HydrophobicContact CD2-CB 4.04Å; L2587-L2605 HydrophobicContact CD2-CD1 4.24Å; W2601-L2605 WeakPolarHBondContact O-CG 3.44Å; W2601-L2605 PolarHBondContact O-N 3.47Å; L2605-N2607 VanDerWaalsContact C-N 3.31Å; L2605-N2607 PolarHBondContact O-N 3.17Å; L2605-S2608 PolarHBondContact O-N 2.96Å; L2605-S2608 VanDerWaalsContact O-N 3.07Å; L2605-S2608 PolarHBondContact O-OG 2.94Å |
| 2606 | M | 85.2 | Confident | 83 | Confident | 54 Ų | 54 | 60.4 Ų | 60.4 | 27% | 0.266 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.8 | -37.6 | 171.6 | -82.8 | -72 | -71.1 | 0 | 0 | 112.5 | R2584 L2587 Q2588 A2602 S2603 S2608 L2609 | R2584-M2606 HydrophobicContact CG-CE 4.37Å; R2584-M2606 HydrophobicContact CG-SD 4.41Å; L2587-M2606 HydrophobicContact CB-CG 3.63Å; L2587-M2606 HydrophobicContact CB-SD 3.6Å; L2587-M2606 HydrophobicContact CD1-CG 4.04Å; L2587-M2606 HydrophobicContact CD1-SD 4.1Å; L2587-M2606 HydrophobicContact CG-CG 4.45Å; Q2588-M2606 HydrophobicContact CG-CE 4.06Å; A2602-M2606 WeakPolarHBondContact O-CB 3.44Å; A2602-M2606 VanDerWaalsContact O-CG 3.31Å; A2602-M2606 WeakPolarHBondContact O-CG 3.48Å; A2602-M2606 PolarHBondContact O-N 3.16Å; S2603-M2606 PolarHBondContact O-N 3.33Å; M2606-S2608 PolarHBondContact O-N 2.77Å; M2606-L2609 PolarHBondContact O-N 2.92Å |
| 2607 | N | 82.9 | Confident | 83.3 | Confident | 142 Ų | 142 | 57.4 Ų | 57.4 | 76% | 0.759 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -9.8 | 175.5 | -68.8 | -34.3 | 0 | 0 | 0 | 113.2 | S2603 E2604 L2605 | S2603-N2607 VanDerWaalsContact O-CG 3.24Å; S2603-N2607 PolarHBondContact O-N 3.06Å; S2603-N2607 PolarHBondContact O-ND2 3.36Å; S2603-N2607 VanDerWaalsContact O-ND2 3.09Å; E2604-N2607 PolarHBondContact O-N 2.94Å; L2605-N2607 VanDerWaalsContact C-N 3.31Å; L2605-N2607 PolarHBondContact O-N 3.17Å |
| 2608 | S | 79.6 | Confident | 83.7 | Confident | 68 Ų | 68 | 57.8 Ų | 57.8 | 48% | 0.476 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 3.2 | 175.3 | 71.2 | 0 | 0 | 0 | 0 | 114.7 | E2604 L2605 M2606 | E2604-S2608 PolarHBondContact O-N 3.25Å; L2605-S2608 PolarHBondContact O-N 2.96Å; L2605-S2608 VanDerWaalsContact O-N 3.07Å; L2605-S2608 PolarHBondContact O-OG 2.94Å; M2606-S2608 PolarHBondContact O-N 2.77Å |
| 2609 | L | 74.6 | Confident | 83.7 | Confident | 33 Ų | 33 | 62.6 Ų | 62.6 | 17% | 0.173 | 33% | 0.326 | C | S | . | . | trans | -119.8 | 0 | -168.2 | -177.1 | 147.4 | 0 | 0 | 0 | 116 | L2570 M2576 K2580 I2583 R2584 L2587 M2606 | L2570-L2609 HydrophobicContact CD2-CB 4.23Å; L2570-L2609 HydrophobicContact CD2-CD1 4.45Å; M2576-L2609 HydrophobicContact CE-CB 4.29Å; M2576-L2609 HydrophobicContact CE-CD1 3.83Å; M2576-L2609 HydrophobicContact CE-CG 3.76Å; K2580-L2609 WeakPolarHBondContact CE-O 3.46Å; K2580-L2609 HydrophobicContact CG-CD2 4.11Å; K2580-L2609 HydrophobicContact CG-CG 4.44Å; K2580-L2609 PolarHBondContact NZ-O 3.46Å; I2583-L2609 HydrophobicContact CB-CD1 3.72Å; I2583-L2609 HydrophobicContact CG2-CD1 3.38Å; R2584-L2609 HydrophobicContact CB-CD2 3.86Å; R2584-L2609 HydrophobicContact CG-CD2 4.33Å; R2584-L2609 VanDerWaalsContact NE-CD2 3.32Å; R2584-L2609 PolarHBondContact NH2-OXT 3.03Å; L2587-L2609 HydrophobicContact CD1-CD1 4.39Å; M2606-L2609 PolarHBondContact O-N 2.92Å |
Retrieved 2,609 of 2,609 residues in 1900.5 ms
(Link to these results)