| 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 | 34.7 | Very low | 36.3 | Very low | 240 Ų | 240 | 142.5 Ų | 142.5 | 100% | 1.182 | 81% | 0.814 | S | S | * | * | 0 | 137.6 | 0 | -74.2 | 167.2 | 163.4 | 0 | 0 | 107.7 | |||||
| 2 | N | 34.1 | Very low | 35.7 | Very low | 137 Ų | 137 | 142.5 Ų | 142.5 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | trans | 30.1 | 113.5 | 161.2 | -60.7 | 10.9 | 0 | 0 | 0 | 118.6 | ||||
| 3 | N | 35.3 | Very low | 35.6 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | 75.3 | 137.8 | 81 | -61.9 | -1.3 | 0 | 0 | 0 | 112.4 | |||||
| 4 | T | 38.1 | Very low | 35.3 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | cis | -152.7 | 159.2 | 15.5 | -18.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 5 | L | 35.6 | Very low | 34.9 | Very low | 153 Ų | 153 | 144.2 Ų | 144.2 | 80% | 0.801 | 80% | 0.799 | S | S | * | * | trans | -72.5 | 151.4 | 165.9 | -93.7 | 69 | 0 | 0 | 0 | 112.2 | ||||
| 6 | S | 34.3 | Very low | 34.7 | Very low | 116 Ų | 116 | 146.6 Ų | 146.6 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | -176.9 | 144.6 | 101.8 | -90.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 7 | P | 43.5 | Very low | 34.6 | Very low | 103 Ų | 103 | 146.8 Ų | 146.8 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | trans | -93.6 | 167.9 | 173.6 | 38.9 | -35 | 0 | 0 | 0 | 112.3 | ||||
| 8 | S | 35.6 | Very low | 34.4 | Very low | 124 Ų | 124 | 144.6 Ų | 144.6 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | -159.3 | 95 | 156.1 | -76.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 9 | D | 35.3 | Very low | 34.2 | Very low | 150 Ų | 150 | 146.7 Ų | 146.7 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | -64.5 | 133.8 | 153 | -68.1 | -77.4 | 0 | 0 | 0 | 109.1 | ||||
| 10 | L | 36.3 | Very low | 34.4 | Very low | 145 Ų | 145 | 147.9 Ų | 147.9 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | trans | -147.1 | 100.1 | 148.6 | -151.1 | 78.2 | 0 | 0 | 0 | 110.7 | D12 | L10-D12 PolarHBondContact O-N 3.5Š| ||
| 11 | V | 36.2 | Very low | 34.3 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | -77.8 | 102.5 | 163.1 | 176.9 | 0 | 0 | 0 | 0 | 106.9 | V13 | V11-V13 VanDerWaalsContact C-N 3.29Å; V11-V13 HydrophobicContact CG1-CG2 4.32Å; V11-V13 PolarHBondContact O-N 3.49Å | ||
| 12 | D | 30.1 | Very low | 34.2 | Very low | 143 Ų | 143 | 137.8 Ų | 137.8 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | trans | -70.9 | 87.4 | 174.4 | -104 | -36.4 | 0 | 0 | 0 | 110.2 | L10 | L10-D12 PolarHBondContact O-N 3.5Š| ||
| 13 | V | 33.6 | Very low | 34.4 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 65% | 0.648 | 78% | 0.784 | S | S | * | * | trans | -61 | 130.9 | 171.2 | 175.5 | 0 | 0 | 0 | 0 | 108.8 | V11 R15 | V11-V13 VanDerWaalsContact C-N 3.29Å; V11-V13 HydrophobicContact CG1-CG2 4.32Å; V11-V13 PolarHBondContact O-N 3.49Å; V13-R15 PolarHBondContact O-N 3.38Å | ||
| 14 | P | 32 | Very low | 34.2 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | trans | -60.4 | 113.7 | 174.8 | 25.1 | -33.6 | 0 | 0 | 0 | 109.5 | Q16 | P14-Q16 VanDerWaalsContact C-N 3.29Å; P14-Q16 PolarHBondContact O-N 3Å | ||
| 15 | R | 28.4 | Very low | 34.6 | Very low | 232 Ų | 232 | 133.4 Ų | 133.4 | 88% | 0.875 | 78% | 0.779 | S | S | * | * | trans | -69.8 | 81.2 | -172.1 | -168.8 | 176.6 | -172.2 | 157.2 | 2.2 | 111.5 | V13 Q17 | V13-R15 PolarHBondContact O-N 3.38Å; R15-Q17 PolarHBondContact O-N 3.19Å | ||
| 16 | Q | 32.4 | Very low | 34.9 | Very low | 182 Ų | 182 | 135 Ų | 135 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | trans | -63.2 | 96.5 | 177 | -166.5 | 176.7 | 26.8 | 0 | 0 | 109.5 | P14 S18 | P14-Q16 VanDerWaalsContact C-N 3.29Å; P14-Q16 PolarHBondContact O-N 3Å; Q16-S18 PolarHBondContact O-N 3.43Å | ||
| 17 | Q | 32.6 | Very low | 35.4 | Very low | 150 Ų | 150 | 135.3 Ų | 135.3 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | -79.5 | 84.5 | -171.1 | -165.8 | 169.8 | 4.4 | 0 | 0 | 110.8 | R15 F19 | R15-Q17 PolarHBondContact O-N 3.19Å; Q17-F19 HydrophobicContact CG-CD2 4.18Å; Q17-F19 HydrophobicContact CG-CE2 4.43Å; Q17-F19 PolarHBondContact O-N 3.45Å | ||
| 18 | S | 31.1 | Very low | 35.9 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -67.3 | 82.7 | -179.7 | 41.9 | 0 | 0 | 0 | 0 | 112.6 | Q16 N20 | Q16-S18 PolarHBondContact O-N 3.43Å; S18-N20 VanDerWaalsContact C-N 3.26Å; S18-N20 PolarHBondContact O-N 2.89Å | ||
| 19 | F | 31.5 | Very low | 37.6 | Very low | 184 Ų | 184 | 132.4 Ų | 132.4 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | trans | -72 | 76.8 | 173.4 | -112.1 | -80.9 | 0 | 0 | 0 | 111.8 | Q17 | Q17-F19 HydrophobicContact CG-CD2 4.18Å; Q17-F19 HydrophobicContact CG-CE2 4.43Å; Q17-F19 PolarHBondContact O-N 3.45Å | ||
| 20 | N | 38 | Very low | 39.2 | Very low | 171 Ų | 171 | 127.5 Ų | 127.5 | 91% | 0.914 | 74% | 0.744 | S | S | * | * | trans | -94.1 | 96.6 | 169.2 | -126.2 | 3.1 | 0 | 0 | 0 | 108.8 | S18 | S18-N20 VanDerWaalsContact C-N 3.26Å; S18-N20 PolarHBondContact O-N 2.89Å | ||
| 21 | G | 32.9 | Very low | 41 | Very low | 54 Ų | 54 | 128.3 Ų | 128.3 | 56% | 0.557 | 74% | 0.737 | S | S | * | * | trans | -172 | 102.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 22 | S | 30.9 | Very low | 43 | Very low | 121 Ų | 121 | 124.4 Ų | 124.4 | 85% | 0.846 | 72% | 0.718 | S | S | * | * | trans | 43.7 | 121.8 | 161.6 | 58.3 | 0 | 0 | 0 | 0 | 118.7 | G24 | S22-G24 PolarHBondContact O-N 3.03Š| ||
| 23 | G | 38.8 | Very low | 45.4 | Very low | 94 Ų | 94 | 121.3 Ų | 121.3 | 97% | 0.969 | 70% | 0.704 | S | S | * | * | trans | -65.4 | 85.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 24 | G | 32.1 | Very low | 47.7 | Very low | 58 Ų | 58 | 120 Ų | 120 | 60% | 0.598 | 69% | 0.692 | S | S | * | * | trans | -89.2 | 141.5 | 157.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | S22 Q26 | S22-G24 PolarHBondContact O-N 3.03Å; G24-Q26 PolarHBondContact O-N 3.46Å | ||
| 25 | I | 45.3 | Very low | 50.1 | Low | 169 Ų | 169 | 117 Ų | 117 | 87% | 0.867 | 67% | 0.668 | S | S | * | * | trans | -66.7 | 103.3 | 176 | -62.1 | 172.5 | 0 | 0 | 0 | 108.2 | T27 | I25-T27 PolarHBondContact O-N 2.94Š| ||
| 26 | Q | 41.4 | Very low | 52.8 | Low | 187 Ų | 187 | 110 Ų | 110 | 87% | 0.874 | 65% | 0.651 | S | S | * | * | trans | -69.3 | 100.3 | 175 | -70 | -170.5 | 5.3 | 0 | 0 | 109.6 | G24 | G24-Q26 PolarHBondContact O-N 3.46Š| ||
| 27 | T | 46.1 | Very low | 55.4 | Low | 122 Ų | 122 | 104.1 Ų | 104.1 | 75% | 0.748 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 123.9 | 160.7 | 51 | 0 | 0 | 0 | 0 | 108.1 | I25 S29 | I25-T27 PolarHBondContact O-N 2.94Å; T27-S29 PolarHBondContact O-N 3.15Å |
| 28 | P | 53.3 | Low | 58 | Low | 92 Ų | 92 | 98.3 Ų | 98.3 | 60% | 0.597 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -59 | 138.5 | 179.7 | 24.1 | -33.5 | 0 | 0 | 0 | 109.9 | V33 | P28-V33 HydrophobicContact CB-CG2 4.14Å; P28-V33 HydrophobicContact CG-CG2 3.84Å |
| 29 | S | 70.7 | Confident | 60.6 | Low | 74 Ų | 74 | 94.7 Ų | 94.7 | 52% | 0.517 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 143.1 | 179.4 | 66.1 | 0 | 0 | 0 | 0 | 110.1 | T27 W31 A32 V33 | T27-S29 PolarHBondContact O-N 3.15Å; S29-W31 PolarHBondContact O-N 3.46Å; S29-A32 WeakPolarHBondContact O-CB 3.37Å; S29-A32 PolarHBondContact O-N 2.97Å; S29-V33 PolarHBondContact O-N 3.35Å |
| 30 | G | 70.3 | Confident | 63.4 | Low | 46 Ų | 46 | 89.4 Ų | 89.4 | 47% | 0.474 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -54.4 | -31.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V33 I34 | G30-V33 PolarHBondContact O-N 3Å; G30-I34 WeakPolarHBondContact O-CD1 3.18Å; G30-I34 VanDerWaalsContact O-CG1 3.25Å; G30-I34 WeakPolarHBondContact O-CG1 3.23Å; G30-I34 PolarHBondContact O-N 3.5Å |
| 31 | W | 73.7 | Confident | 65.9 | Low | 163 Ų | 163 | 86.4 Ų | 86.4 | 62% | 0.617 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.7 | -39.6 | 174.1 | -53.4 | 111 | 0 | 0 | 0 | 113.6 | S29 I34 H35 F357 | S29-W31 PolarHBondContact O-N 3.46Å; W31-I34 HydrophobicContact CE3-CD1 4.37Å; W31-I34 PolarHBondContact O-N 2.88Å; W31-H35 WeakPolarHBondContact O-CB 3.43Å; W31-H35 PolarHBondContact O-N 3.26Å; W31-F357 AromaticContact CE3-CD1 3.87Å; W31-F357 HydrophobicContact CE3-CD1 3.87Å; W31-F357 AromaticContact CE3-CE1 3.9Å; W31-F357 HydrophobicContact CE3-CE1 3.9Å; W31-F357 HydrophobicContact CZ3-CD1 4.29Å |
| 32 | A | 76.9 | Confident | 68.7 | Low | 42 Ų | 42 | 83.9 Ų | 83.9 | 35% | 0.347 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.4 | -42.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | S29 I34 H35 T36 | S29-A32 WeakPolarHBondContact O-CB 3.37Å; S29-A32 PolarHBondContact O-N 2.97Å; A32-I34 VanDerWaalsContact C-N 3.35Å; A32-I34 PolarHBondContact O-N 3.27Å; A32-H35 PolarHBondContact O-N 3.47Å; A32-T36 PolarHBondContact O-N 3.22Å; A32-T36 PolarHBondContact O-OG1 3.38Å |
| 33 | V | 81.8 | Confident | 71.6 | Confident | 78 Ų | 78 | 78.9 Ų | 78.9 | 47% | 0.473 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 175.6 | -176.3 | 0 | 0 | 0 | 0 | 111.1 | P28 S29 G30 T36 A37 | P28-V33 HydrophobicContact CB-CG2 4.14Å; P28-V33 HydrophobicContact CG-CG2 3.84Å; S29-V33 PolarHBondContact O-N 3.35Å; G30-V33 PolarHBondContact O-N 3Å; V33-T36 PolarHBondContact O-N 2.95Å; V33-A37 VanDerWaalsContact O-CB 3.28Å; V33-A37 WeakPolarHBondContact O-CB 3.46Å; V33-A37 PolarHBondContact O-N 3.42Å |
| 34 | I | 80.8 | Confident | 74.2 | Confident | 80 Ų | 80 | 79.8 Ų | 79.8 | 41% | 0.41 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 174.7 | -69.1 | 162.3 | 0 | 0 | 0 | 110.8 | G30 W31 A32 T36 A37 T38 F357 | G30-I34 WeakPolarHBondContact O-CD1 3.18Å; G30-I34 VanDerWaalsContact O-CG1 3.25Å; G30-I34 WeakPolarHBondContact O-CG1 3.23Å; G30-I34 PolarHBondContact O-N 3.5Å; W31-I34 HydrophobicContact CE3-CD1 4.37Å; W31-I34 PolarHBondContact O-N 2.88Å; A32-I34 VanDerWaalsContact C-N 3.35Å; A32-I34 PolarHBondContact O-N 3.27Å; I34-T36 PolarHBondContact O-N 2.88Å; I34-A37 PolarHBondContact O-N 2.92Å; I34-T38 PolarHBondContact O-N 3.39Å; I34-T38 PolarHBondContact O-OG1 3.16Å; I34-T38 VanDerWaalsContact O-OG1 3.12Å; I34-F357 HydrophobicContact CG2-CE1 4.28Å |
| 35 | H | 82.9 | Confident | 77.2 | Confident | 51 Ų | 51 | 78.5 Ų | 78.5 | 24% | 0.236 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -57.3 | -49.5 | 178 | -168.8 | -77.9 | 0 | 0 | 0 | 111.8 | W31 A32 A37 T38 L39 F357 Y360 Q361 | W31-H35 WeakPolarHBondContact O-CB 3.43Å; W31-H35 PolarHBondContact O-N 3.26Å; A32-H35 PolarHBondContact O-N 3.47Å; H35-A37 VanDerWaalsContact C-N 3.34Å; H35-A37 PolarHBondContact O-N 3.33Å; H35-T38 PolarHBondContact O-N 3.23Å; H35-L39 WeakPolarHBondContact O-CB 3.45Å; H35-L39 PolarHBondContact O-N 2.98Å; H35-F357 HydrophobicContact CB-CE2 4.49Å; H35-F357 HydrophobicContact CB-CZ 4.08Å; H35-F357 AromaticContact CD2-CE2 3.93Å; H35-Y360 AromaticContact NE2-CE1 3.95Å; H35-Q361 PolarHBondContact CD2-NE2 3.25Å |
| 36 | T | 85.3 | Confident | 79.5 | Confident | 84 Ų | 84 | 70.8 Ų | 70.8 | 52% | 0.515 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.6 | -36.5 | 179.5 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | A32 V33 I34 T40 | A32-T36 PolarHBondContact O-N 3.22Å; A32-T36 PolarHBondContact O-OG1 3.38Å; V33-T36 PolarHBondContact O-N 2.95Å; I34-T36 PolarHBondContact O-N 2.88Å; T36-T40 VanDerWaalsContact O-CB 3.3Å; T36-T40 WeakPolarHBondContact O-CB 3.34Å; T36-T40 PolarHBondContact O-N 3.2Å; T36-T40 PolarHBondContact O-OG1 3.1Å |
| 37 | A | 86.9 | Confident | 82.1 | Confident | 58 Ų | 58 | 66.2 Ų | 66.2 | 48% | 0.479 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.2 | -48.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | V33 I34 H35 T40 F41 | V33-A37 VanDerWaalsContact O-CB 3.28Å; V33-A37 WeakPolarHBondContact O-CB 3.46Å; V33-A37 PolarHBondContact O-N 3.42Å; I34-A37 PolarHBondContact O-N 2.92Å; H35-A37 VanDerWaalsContact C-N 3.34Å; H35-A37 PolarHBondContact O-N 3.33Å; A37-T40 PolarHBondContact O-N 3.44Å; A37-F41 WeakPolarHBondContact O-CB 3.37Å; A37-F41 PolarHBondContact O-N 2.99Å |
| 38 | T | 86.9 | Confident | 84.3 | Confident | 28 Ų | 28 | 65.1 Ų | 65.1 | 17% | 0.172 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 175.4 | -52.3 | 0 | 0 | 0 | 0 | 111.2 | I34 H35 T40 F41 C42 Q361 | I34-T38 PolarHBondContact O-N 3.39Å; I34-T38 PolarHBondContact O-OG1 3.16Å; I34-T38 VanDerWaalsContact O-OG1 3.12Å; H35-T38 PolarHBondContact O-N 3.23Å; T38-T40 VanDerWaalsContact C-N 3.34Å; T38-T40 PolarHBondContact O-N 3Å; T38-F41 PolarHBondContact O-N 3.1Å; T38-C42 VanDerWaalsContact O-CB 3.3Å; T38-C42 WeakPolarHBondContact O-CB 3.21Å; T38-C42 PolarHBondContact O-N 3.3Å; T38-C42 PolarHBondContact O-SG 3.24Å; T38-Q361 PolarHBondContact OG1-OE1 3.07Å |
| 39 | L | 86.5 | Confident | 86.3 | Confident | 32 Ų | 32 | 60.8 Ų | 60.8 | 17% | 0.168 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.4 | -48.4 | 178.8 | -167.6 | 76.7 | 0 | 0 | 0 | 110.7 | H35 F41 C42 S43 L102 | H35-L39 WeakPolarHBondContact O-CB 3.45Å; H35-L39 PolarHBondContact O-N 2.98Å; L39-F41 PolarHBondContact O-N 3.32Å; L39-C42 PolarHBondContact O-N 2.83Å; L39-S43 PolarHBondContact O-N 3.49Å; L39-S43 PolarHBondContact O-OG 3.48Å; L39-L102 HydrophobicContact CD1-CB 4.13Å |
| 40 | T | 89.8 | Confident | 87.4 | Confident | 73 Ų | 73 | 61 Ų | 61 | 45% | 0.448 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 178 | -56.5 | 0 | 0 | 0 | 0 | 111.8 | T36 A37 T38 S43 L44 | T36-T40 VanDerWaalsContact O-CB 3.3Å; T36-T40 WeakPolarHBondContact O-CB 3.34Å; T36-T40 PolarHBondContact O-N 3.2Å; T36-T40 PolarHBondContact O-OG1 3.1Å; A37-T40 PolarHBondContact O-N 3.44Å; T38-T40 VanDerWaalsContact C-N 3.34Å; T38-T40 PolarHBondContact O-N 3Å; T40-S43 PolarHBondContact O-N 3.37Å; T40-L44 HydrophobicContact CG2-CD1 4.11Å; T40-L44 WeakPolarHBondContact O-CB 3.25Å; T40-L44 VanDerWaalsContact O-CG 3.3Å; T40-L44 WeakPolarHBondContact O-CG 3.31Å; T40-L44 PolarHBondContact O-N 2.92Å |
| 41 | F | 91.2 | Very high | 88.5 | Confident | 108 Ų | 108 | 65.3 Ų | 65.3 | 47% | 0.474 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 177.4 | 177 | -106.4 | 0 | 0 | 0 | 112.1 | A37 T38 L39 L44 L45 | A37-F41 WeakPolarHBondContact O-CB 3.37Å; A37-F41 PolarHBondContact O-N 2.99Å; T38-F41 PolarHBondContact O-N 3.1Å; L39-F41 PolarHBondContact O-N 3.32Å; F41-L44 PolarHBondContact O-N 2.8Å; F41-L45 HydrophobicContact CD1-CD1 4.05Å; F41-L45 HydrophobicContact CE1-CD1 3.44Å; F41-L45 VanDerWaalsContact CE1-CD1 3.44Å; F41-L45 HydrophobicContact CE1-CG 4.32Å; F41-L45 HydrophobicContact CE2-CD1 4.19Å; F41-L45 HydrophobicContact CE2-CG 4.32Å; F41-L45 HydrophobicContact CZ-CD1 3.53Å; F41-L45 HydrophobicContact CZ-CG 4.15Å; F41-L45 WeakPolarHBondContact O-CB 3.19Å; F41-L45 PolarHBondContact O-N 3.32Å |
| 42 | C | 91.4 | Very high | 89.3 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.014 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60 | -46.6 | 174.9 | -74.7 | 0 | 0 | 0 | 0 | 111.7 | T38 L39 L44 L45 L46 L102 V368 | T38-C42 VanDerWaalsContact O-CB 3.3Å; T38-C42 WeakPolarHBondContact O-CB 3.21Å; T38-C42 PolarHBondContact O-N 3.3Å; T38-C42 PolarHBondContact O-SG 3.24Å; L39-C42 PolarHBondContact O-N 2.83Å; C42-L44 PolarHBondContact O-N 3.43Å; C42-L45 PolarHBondContact O-N 3.19Å; C42-L46 WeakPolarHBondContact O-CB 3.4Å; C42-L46 WeakPolarHBondContact O-CD1 3.25Å; C42-L46 WeakPolarHBondContact O-CG 3.4Å; C42-L46 PolarHBondContact O-N 3.45Å; C42-L102 HydrophobicContact CB-CD1 4.37Å; C42-V368 HydrophobicContact CB-CG2 3.8Å |
| 43 | S | 91.7 | Very high | 90 | Very high | 16 Ų | 16 | 58.8 Ų | 58.8 | 11% | 0.112 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 176 | -59.3 | 0 | 0 | 0 | 0 | 112.5 | L39 T40 L46 I47 F103 | L39-S43 PolarHBondContact O-N 3.49Å; L39-S43 PolarHBondContact O-OG 3.48Å; T40-S43 PolarHBondContact O-N 3.37Å; S43-L46 PolarHBondContact O-N 2.9Å; S43-I47 WeakPolarHBondContact O-CD1 3.42Å; S43-I47 VanDerWaalsContact O-CG1 3.26Å; S43-I47 WeakPolarHBondContact O-CG1 3.23Å; S43-I47 PolarHBondContact O-N 2.82Å; S43-F103 VanDerWaalsContact OG-CZ 3.26Å; S43-F103 WeakPolarHBondContact OG-CZ 3.28Å |
| 44 | L | 93.6 | Very high | 90.6 | Very high | 112 Ų | 112 | 55.7 Ų | 55.7 | 59% | 0.586 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -63.9 | -40.6 | 177.6 | -72.3 | 171.7 | 0 | 0 | 0 | 112.2 | T40 F41 C42 F48 | T40-L44 HydrophobicContact CG2-CD1 4.11Å; T40-L44 WeakPolarHBondContact O-CB 3.25Å; T40-L44 VanDerWaalsContact O-CG 3.3Å; T40-L44 WeakPolarHBondContact O-CG 3.31Å; T40-L44 PolarHBondContact O-N 2.92Å; F41-L44 PolarHBondContact O-N 2.8Å; C42-L44 PolarHBondContact O-N 3.43Å; L44-F48 PolarHBondContact O-N 3.26Å |
| 45 | L | 94.4 | Very high | 91 | Very high | 31 Ų | 31 | 55.4 Ų | 55.4 | 16% | 0.162 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 173.1 | -79.2 | -176.3 | 0 | 0 | 0 | 112.1 | F41 C42 I47 F48 I49 V368 | F41-L45 HydrophobicContact CD1-CD1 4.05Å; F41-L45 HydrophobicContact CE1-CD1 3.44Å; F41-L45 VanDerWaalsContact CE1-CD1 3.44Å; F41-L45 HydrophobicContact CE1-CG 4.32Å; F41-L45 HydrophobicContact CE2-CD1 4.19Å; F41-L45 HydrophobicContact CE2-CG 4.32Å; F41-L45 HydrophobicContact CZ-CD1 3.53Å; F41-L45 HydrophobicContact CZ-CG 4.15Å; F41-L45 WeakPolarHBondContact O-CB 3.19Å; F41-L45 PolarHBondContact O-N 3.32Å; C42-L45 PolarHBondContact O-N 3.19Å; L45-I47 VanDerWaalsContact C-N 3.32Å; L45-I47 PolarHBondContact O-N 2.96Å; L45-F48 WeakPolarHBondContact O-CB 3.28Å; L45-F48 PolarHBondContact O-N 2.9Å; L45-F48 VanDerWaalsContact O-N 3.15Å; L45-I49 WeakPolarHBondContact O-CB 3.34Å; L45-I49 WeakPolarHBondContact O-CD1 3.46Å; L45-I49 WeakPolarHBondContact O-CG1 3.36Å; L45-I49 PolarHBondContact O-N 2.89Å; L45-V368 HydrophobicContact CB-CG1 3.45Å; L45-V368 VanDerWaalsContact CB-CG1 3.45Å; L45-V368 HydrophobicContact CD1-CG1 3.74Å; L45-V368 HydrophobicContact CG-CG1 4.27Å |
| 46 | L | 94.8 | Very high | 91.3 | Very high | 7 Ų | 7 | 53.2 Ų | 53.2 | 4% | 0.037 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 177.5 | -71.8 | 163.9 | 0 | 0 | 0 | 111.7 | C42 S43 I49 F50 A95 F98 A99 L102 V368 F371 | C42-L46 WeakPolarHBondContact O-CB 3.4Å; C42-L46 WeakPolarHBondContact O-CD1 3.25Å; C42-L46 WeakPolarHBondContact O-CG 3.4Å; C42-L46 PolarHBondContact O-N 3.45Å; S43-L46 PolarHBondContact O-N 2.9Å; L46-I49 PolarHBondContact O-N 3.02Å; L46-F50 WeakPolarHBondContact O-CB 3.36Å; L46-F50 PolarHBondContact O-N 3.01Å; L46-A95 HydrophobicContact CD2-CB 3.92Å; L46-F98 HydrophobicContact CD1-CD1 3.77Å; L46-F98 HydrophobicContact CD1-CE1 4.26Å; L46-F98 HydrophobicContact CD2-CD1 4.01Å; L46-A99 HydrophobicContact CD1-CB 4.21Å; L46-L102 HydrophobicContact CD1-CD1 3.7Å; L46-V368 HydrophobicContact CD1-CG2 4.22Å; L46-V368 HydrophobicContact CD2-CG1 4.45Å; L46-V368 HydrophobicContact CD2-CG2 4.27Å; L46-V368 HydrophobicContact CG-CG1 4.3Å; L46-V368 HydrophobicContact CG-CG2 4.1Å; L46-F371 HydrophobicContact CD2-CD2 3.9Å; L46-F371 HydrophobicContact CD2-CE2 4.45Å |
| 47 | I | 94.3 | Very high | 91.7 | Very high | 92 Ų | 92 | 49.3 Ų | 49.3 | 47% | 0.472 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 172.4 | -69.3 | 164 | 0 | 0 | 0 | 110.9 | S43 L45 F50 F51 | S43-I47 WeakPolarHBondContact O-CD1 3.42Å; S43-I47 VanDerWaalsContact O-CG1 3.26Å; S43-I47 WeakPolarHBondContact O-CG1 3.23Å; S43-I47 PolarHBondContact O-N 2.82Å; L45-I47 VanDerWaalsContact C-N 3.32Å; L45-I47 PolarHBondContact O-N 2.96Å; I47-F50 PolarHBondContact O-N 3.21Å; I47-F51 HydrophobicContact CG2-CD2 3.81Å; I47-F51 HydrophobicContact CG2-CE2 3.76Å; I47-F51 VanDerWaalsContact O-CD2 3.27Å; I47-F51 WeakPolarHBondContact O-CD2 3.43Å; I47-F51 PolarHBondContact O-N 2.92Å |
| 48 | F | 93.3 | Very high | 91.8 | Very high | 99 Ų | 99 | 50.1 Ų | 50.1 | 43% | 0.434 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.9 | -44.2 | 176 | 175.7 | -92 | 0 | 0 | 0 | 112.3 | L44 L45 F51 M52 L372 | L44-F48 PolarHBondContact O-N 3.26Å; L45-F48 WeakPolarHBondContact O-CB 3.28Å; L45-F48 PolarHBondContact O-N 2.9Å; L45-F48 VanDerWaalsContact O-N 3.15Å; F48-F51 PolarHBondContact O-N 3.4Å; F48-M52 HydrophobicContact CD2-CG 3.99Å; F48-M52 HydrophobicContact CE1-CB 4.41Å; F48-M52 HydrophobicContact CE1-CG 4.43Å; F48-M52 HydrophobicContact CE2-CE 4.29Å; F48-M52 HydrophobicContact CE2-CG 3.69Å; F48-M52 HydrophobicContact CG-CG 4.49Å; F48-M52 HydrophobicContact CZ-CB 4.31Å; F48-M52 HydrophobicContact CZ-CE 4.29Å; F48-M52 HydrophobicContact CZ-CG 3.92Å; F48-M52 VanDerWaalsContact O-CB 3.31Å; F48-M52 WeakPolarHBondContact O-CB 3.35Å; F48-M52 PolarHBondContact O-N 3.41Å; F48-L372 HydrophobicContact CD1-CD1 4.14Å; F48-L372 HydrophobicContact CE1-CD1 4.09Å |
| 49 | I | 94.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.5 | -45 | 177.9 | -68.1 | 161.8 | 0 | 0 | 0 | 110.5 | L45 L46 G53 A95 V368 F371 L372 | L45-I49 WeakPolarHBondContact O-CB 3.34Å; L45-I49 WeakPolarHBondContact O-CD1 3.46Å; L45-I49 WeakPolarHBondContact O-CG1 3.36Å; L45-I49 PolarHBondContact O-N 2.89Å; L46-I49 PolarHBondContact O-N 3.02Å; I49-G53 VanDerWaalsContact O-CA 3.24Å; I49-G53 WeakPolarHBondContact O-CA 3.36Å; I49-G53 PolarHBondContact O-N 2.84Å; I49-A95 HydrophobicContact CG2-CB 4.48Å; I49-V368 HydrophobicContact CD1-CG1 3.94Å; I49-V368 WeakPolarHBondContact CD1-O 3.27Å; I49-F371 HydrophobicContact CD1-CB 4.15Å; I49-F371 HydrophobicContact CG2-CB 4.26Å; I49-L372 HydrophobicContact CD1-CB 3.93Å; I49-L372 HydrophobicContact CD1-CD1 4.2Å; I49-L372 HydrophobicContact CG1-CB 4.29Å; I49-L372 HydrophobicContact CG1-CD1 3.75Å |
| 50 | F | 95.4 | Very high | 91.8 | Very high | 78 Ų | 78 | 49.3 Ų | 49.3 | 34% | 0.342 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56.6 | -54.3 | 175.5 | 176.4 | -95.5 | 0 | 0 | 0 | 110.8 | L46 I47 S54 C91 P96 | L46-F50 WeakPolarHBondContact O-CB 3.36Å; L46-F50 PolarHBondContact O-N 3.01Å; I47-F50 PolarHBondContact O-N 3.21Å; F50-S54 WeakPolarHBondContact O-CB 3.34Å; F50-S54 PolarHBondContact O-N 2.83Å; F50-S54 PolarHBondContact O-OG 3.39Å; F50-C91 WeakPolarHBondContact CD2-O 3.03Å; F50-P96 HydrophobicContact CD2-CG 3.7Å; F50-P96 HydrophobicContact CE2-CG 4.04Å |
| 51 | F | 92.4 | Very high | 91.7 | Very high | 137 Ų | 137 | 48.1 Ų | 48.1 | 60% | 0.601 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -69.1 | -54.1 | -177.5 | -74.5 | -60.8 | 0 | 0 | 0 | 113.1 | I47 F48 Y55 | I47-F51 HydrophobicContact CG2-CD2 3.81Å; I47-F51 HydrophobicContact CG2-CE2 3.76Å; I47-F51 VanDerWaalsContact O-CD2 3.27Å; I47-F51 WeakPolarHBondContact O-CD2 3.43Å; I47-F51 PolarHBondContact O-N 2.92Å; F48-F51 PolarHBondContact O-N 3.4Å; F51-Y55 WeakPolarHBondContact O-CB 3.44Å; F51-Y55 PolarHBondContact O-N 2.87Å; F51-Y55 VanDerWaalsContact O-N 3.13Å |
| 52 | M | 90.6 | Very high | 91.4 | Very high | 68 Ų | 68 | 47.5 Ų | 47.5 | 34% | 0.335 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -75.3 | -38.2 | -172.3 | -68.5 | -73.9 | -85.9 | 0 | 0 | 112.6 | F48 G56 F379 | F48-M52 HydrophobicContact CD2-CG 3.99Å; F48-M52 HydrophobicContact CE1-CB 4.41Å; F48-M52 HydrophobicContact CE1-CG 4.43Å; F48-M52 HydrophobicContact CE2-CE 4.29Å; F48-M52 HydrophobicContact CE2-CG 3.69Å; F48-M52 HydrophobicContact CG-CG 4.49Å; F48-M52 HydrophobicContact CZ-CB 4.31Å; F48-M52 HydrophobicContact CZ-CE 4.29Å; F48-M52 HydrophobicContact CZ-CG 3.92Å; F48-M52 VanDerWaalsContact O-CB 3.31Å; F48-M52 WeakPolarHBondContact O-CB 3.35Å; F48-M52 PolarHBondContact O-N 3.41Å; M52-G56 PolarHBondContact O-N 3.48Å; M52-F379 HydrophobicContact CE-CE1 4.16Å; M52-F379 HydrophobicContact CE-CE2 4.34Å; M52-F379 HydrophobicContact CE-CZ 3.57Å; M52-F379 HydrophobicContact SD-CZ 4.47Å |
| 53 | G | 92.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -72.2 | -45.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I49 G56 N57 | I49-G53 VanDerWaalsContact O-CA 3.24Å; I49-G53 WeakPolarHBondContact O-CA 3.36Å; I49-G53 PolarHBondContact O-N 2.84Å; G53-G56 PolarHBondContact O-N 2.72Å; G53-N57 WeakPolarHBondContact O-CB 3.46Å; G53-N57 PolarHBondContact O-N 3.38Å; G53-N57 PolarHBondContact O-ND2 2.86Å |
| 54 | S | 93.4 | Very high | 90.1 | Very high | 14 Ų | 14 | 51.6 Ų | 51.6 | 10% | 0.098 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.3 | -46.5 | 177.4 | -50.2 | 0 | 0 | 0 | 0 | 111.2 | F50 L58 L88 C91 C92 | F50-S54 WeakPolarHBondContact O-CB 3.34Å; F50-S54 PolarHBondContact O-N 2.83Å; F50-S54 PolarHBondContact O-OG 3.39Å; S54-L58 WeakPolarHBondContact O-CB 3.28Å; S54-L58 PolarHBondContact O-N 3.33Å; S54-L88 WeakPolarHBondContact O-CD1 3.44Å; S54-C91 WeakPolarHBondContact OG-CB 3.49Å; S54-C92 VanDerWaalsContact CB-SG 3.6Å; S54-C92 PolarHBondContact OG-SG 2.95Å; S54-C92 VanDerWaalsContact OG-SG 3.32Å |
| 55 | Y | 89.8 | Confident | 89.4 | Confident | 73 Ų | 73 | 52.2 Ų | 52.2 | 29% | 0.286 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.4 | -50.1 | 175.2 | 168.3 | -101.7 | 0 | 0 | 0 | 112 | F51 L58 V59 C395 | F51-Y55 WeakPolarHBondContact O-CB 3.44Å; F51-Y55 PolarHBondContact O-N 2.87Å; F51-Y55 VanDerWaalsContact O-N 3.13Å; Y55-L58 PolarHBondContact O-N 3.42Å; Y55-V59 HydrophobicContact CD2-CG2 4.14Å; Y55-V59 HydrophobicContact CE1-CG2 4.43Å; Y55-V59 HydrophobicContact CE2-CG2 3.56Å; Y55-V59 WeakPolarHBondContact O-CG2 3.47Å; Y55-V59 PolarHBondContact O-N 2.99Å; Y55-C395 HydrophobicContact CE2-CB 4.37Å; Y55-C395 WeakPolarHBondContact OH-CB 3.47Å |
| 56 | G | 89.7 | Confident | 88.5 | Confident | 5 Ų | 5 | 54 Ų | 54 | 5% | 0.052 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.8 | -45.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | M52 G53 V59 V60 | M52-G56 PolarHBondContact O-N 3.48Å; G53-G56 PolarHBondContact O-N 2.72Å; G56-V59 PolarHBondContact O-N 2.94Å; G56-V60 WeakPolarHBondContact O-CG2 3.34Å; G56-V60 PolarHBondContact O-N 2.88Å |
| 57 | N | 92.2 | Very high | 86.9 | Confident | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71.8 | -36.8 | 179.3 | -72.7 | -64.5 | 0 | 0 | 0 | 112.1 | G53 V59 V60 F61 D87 L88 S374 P378 | G53-N57 WeakPolarHBondContact O-CB 3.46Å; G53-N57 PolarHBondContact O-N 3.38Å; G53-N57 PolarHBondContact O-ND2 2.86Å; N57-V59 VanDerWaalsContact C-N 3.35Å; N57-V59 PolarHBondContact O-N 3.27Å; N57-V60 PolarHBondContact O-N 2.91Å; N57-F61 WeakPolarHBondContact O-CB 3.26Å; N57-F61 PolarHBondContact O-N 3.28Å; N57-D87 WeakPolarHBondContact OD1-CB 3.17Å; N57-L88 HydrophobicContact CB-CB 4.04Å; N57-L88 HydrophobicContact CB-CD1 4.48Å; N57-S374 PolarHBondContact ND2-O 3.37Å; N57-P378 HydrophobicContact CB-CG 4.36Å; N57-P378 WeakPolarHBondContact ND2-CG 3.28Å; N57-P378 WeakPolarHBondContact OD1-CG 3.21Å |
| 58 | L | 90.5 | Very high | 85.3 | Confident | 75 Ų | 75 | 57.4 Ų | 57.4 | 39% | 0.393 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 173.7 | -178.1 | 64.7 | 0 | 0 | 0 | 112 | S54 Y55 F61 L62 L88 | S54-L58 WeakPolarHBondContact O-CB 3.28Å; S54-L58 PolarHBondContact O-N 3.33Å; Y55-L58 PolarHBondContact O-N 3.42Å; L58-F61 PolarHBondContact O-N 2.91Å; L58-L62 HydrophobicContact CD1-CD1 3.86Å; L58-L62 HydrophobicContact CD1-CD2 4.47Å; L58-L62 HydrophobicContact CD1-CG 3.9Å; L58-L62 HydrophobicContact CD2-CD1 4.46Å; L58-L62 HydrophobicContact CG-CD1 3.81Å; L58-L62 HydrophobicContact CG-CG 4.23Å; L58-L62 WeakPolarHBondContact O-CB 3.22Å; L58-L62 VanDerWaalsContact O-CG 3.28Å; L58-L62 WeakPolarHBondContact O-CG 3.37Å; L58-L62 PolarHBondContact O-N 2.81Å; L58-L88 HydrophobicContact CB-CD1 4.3Å; L58-L88 HydrophobicContact CD1-CD2 4.48Å |
| 59 | V | 86.9 | Confident | 83.4 | Confident | 24 Ų | 24 | 55.5 Ų | 55.5 | 15% | 0.145 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.1 | -35.8 | 176.8 | 174.2 | 0 | 0 | 0 | 0 | 112.1 | Y55 G56 N57 S63 L388 | Y55-V59 HydrophobicContact CD2-CG2 4.14Å; Y55-V59 HydrophobicContact CE1-CG2 4.43Å; Y55-V59 HydrophobicContact CE2-CG2 3.56Å; Y55-V59 WeakPolarHBondContact O-CG2 3.47Å; Y55-V59 PolarHBondContact O-N 2.99Å; G56-V59 PolarHBondContact O-N 2.94Å; N57-V59 VanDerWaalsContact C-N 3.35Å; N57-V59 PolarHBondContact O-N 3.27Å; V59-S63 VanDerWaalsContact O-CB 3.28Å; V59-S63 WeakPolarHBondContact O-CB 3.39Å; V59-S63 PolarHBondContact O-N 2.86Å; V59-S63 VanDerWaalsContact O-N 3.15Å; V59-S63 PolarHBondContact O-OG 3.46Å; V59-L388 HydrophobicContact CG1-CD1 3.69Å |
| 60 | V | 85.8 | Confident | 81.3 | Confident | 18 Ų | 18 | 65.3 Ų | 65.3 | 11% | 0.109 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.5 | -49.4 | 173.1 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | G56 N57 S63 I80 L388 | G56-V60 WeakPolarHBondContact O-CG2 3.34Å; G56-V60 PolarHBondContact O-N 2.88Å; N57-V60 PolarHBondContact O-N 2.91Å; V60-S63 PolarHBondContact O-N 3.37Å; V60-I80 HydrophobicContact CG1-CG2 3.9Å; V60-L388 HydrophobicContact CG2-CD2 3.93Å |
| 61 | F | 87.8 | Confident | 79 | Confident | 48 Ų | 48 | 71.1 Ų | 71.1 | 21% | 0.211 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.8 | -52.1 | -179.9 | -174.3 | -94 | 0 | 0 | 0 | 111.8 | N57 L58 S63 F64 F65 L81 F85 | N57-F61 WeakPolarHBondContact O-CB 3.26Å; N57-F61 PolarHBondContact O-N 3.28Å; L58-F61 PolarHBondContact O-N 2.91Å; F61-S63 VanDerWaalsContact C-N 3.31Å; F61-S63 PolarHBondContact O-N 3.42Å; F61-F64 WeakPolarHBondContact O-CB 3.38Å; F61-F64 PolarHBondContact O-N 3.41Å; F61-F64 VanDerWaalsContact O-N 3.17Å; F61-F65 HydrophobicContact CD1-CD2 4.4Å; F61-F65 AromaticContact CD1-CE2 3.87Å; F61-F65 HydrophobicContact CD1-CE2 3.87Å; F61-F65 HydrophobicContact CE1-CD2 4.32Å; F61-F65 AromaticContact CE1-CE2 3.52Å; F61-F65 HydrophobicContact CE1-CE2 3.52Å; F61-F65 HydrophobicContact CE1-CZ 4.2Å; F61-F65 HydrophobicContact CE2-CE2 4.25Å; F61-F65 HydrophobicContact CG-CE2 4.37Å; F61-F65 AromaticContact CZ-CE2 3.73Å; F61-F65 HydrophobicContact CZ-CE2 3.73Å; F61-F65 HydrophobicContact CZ-CZ 4.06Å; F61-F65 VanDerWaalsContact O-CD2 3.28Å; F61-F65 WeakPolarHBondContact O-CD2 3.23Å; F61-L81 HydrophobicContact CD2-CD1 3.47Å; F61-L81 VanDerWaalsContact CD2-CD1 3.47Å; F61-L81 HydrophobicContact CD2-CG 4.41Å; F61-L81 HydrophobicContact CE2-CD1 3.83Å; F61-L81 HydrophobicContact CE2-CG 4.48Å; F61-L81 HydrophobicContact CG-CD1 4.13Å; F61-F85 HydrophobicContact CD2-CB 4.28Å; F61-F85 HydrophobicContact CE2-CB 4.12Å; F61-F85 AromaticContact CE2-CD2 4Å; F61-F85 HydrophobicContact CE2-CD2 4Å; F61-F85 HydrophobicContact CE2-CG 4.47Å |
| 62 | L | 84.8 | Confident | 76.9 | Confident | 96 Ų | 96 | 70.2 Ų | 70.2 | 50% | 0.503 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.3 | -32.6 | 179.4 | -69 | 177.1 | 0 | 0 | 0 | 113.1 | L58 F64 F65 E66 | L58-L62 HydrophobicContact CD1-CD1 3.86Å; L58-L62 HydrophobicContact CD1-CD2 4.47Å; L58-L62 HydrophobicContact CD1-CG 3.9Å; L58-L62 HydrophobicContact CD2-CD1 4.46Å; L58-L62 HydrophobicContact CG-CD1 3.81Å; L58-L62 HydrophobicContact CG-CG 4.23Å; L58-L62 WeakPolarHBondContact O-CB 3.22Å; L58-L62 VanDerWaalsContact O-CG 3.28Å; L58-L62 WeakPolarHBondContact O-CG 3.37Å; L58-L62 PolarHBondContact O-N 2.81Å; L62-F64 PolarHBondContact O-N 3.44Å; L62-F64 VanDerWaalsContact O-N 3.14Å; L62-F65 PolarHBondContact O-N 3.41Å; L62-F65 VanDerWaalsContact O-N 3.1Å; L62-E66 PolarHBondContact O-N 2.89Å |
| 63 | S | 80.6 | Confident | 75.2 | Confident | 23 Ų | 23 | 77.9 Ų | 77.9 | 16% | 0.161 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.2 | -16.3 | 177.4 | -65.4 | 0 | 0 | 0 | 0 | 113.5 | V59 V60 F61 R391 | V59-S63 VanDerWaalsContact O-CB 3.28Å; V59-S63 WeakPolarHBondContact O-CB 3.39Å; V59-S63 PolarHBondContact O-N 2.86Å; V59-S63 VanDerWaalsContact O-N 3.15Å; V59-S63 PolarHBondContact O-OG 3.46Å; V60-S63 PolarHBondContact O-N 3.37Å; F61-S63 VanDerWaalsContact C-N 3.31Å; F61-S63 PolarHBondContact O-N 3.42Å; S63-R391 PolarHBondContact OG-NH1 3.42Å; S63-R391 VanDerWaalsContact OG-NH1 3.11Å |
| 64 | F | 75.3 | Confident | 73.9 | Confident | 80 Ų | 80 | 81.5 Ų | 81.5 | 35% | 0.351 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -78 | -31.4 | 173.8 | -170 | -93 | 0 | 0 | 0 | 113.1 | F61 L62 D77 L81 | F61-F64 WeakPolarHBondContact O-CB 3.38Å; F61-F64 PolarHBondContact O-N 3.41Å; F61-F64 VanDerWaalsContact O-N 3.17Å; L62-F64 PolarHBondContact O-N 3.44Å; L62-F64 VanDerWaalsContact O-N 3.14Å; F64-D77 HydrophobicContact CE2-CB 4.1Å; F64-L81 HydrophobicContact CB-CD1 3.89Å; F64-L81 HydrophobicContact CD1-CD1 4.27Å; F64-L81 HydrophobicContact CD1-CD2 3.71Å; F64-L81 HydrophobicContact CD2-CB 4.49Å; F64-L81 HydrophobicContact CD2-CD2 4.49Å; F64-L81 HydrophobicContact CE1-CD2 3.78Å; F64-L81 HydrophobicContact CG-CD1 4.05Å; F64-L81 HydrophobicContact CG-CD2 4.09Å; F64-L81 HydrophobicContact CG-CG 4.49Å; F64-L81 HydrophobicContact CZ-CD2 4.21Å |
| 65 | F | 78.9 | Confident | 72.7 | Confident | 125 Ų | 125 | 82.6 Ų | 82.6 | 55% | 0.548 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -86.3 | -14.1 | -177.2 | -65 | -83.1 | 0 | 0 | 0 | 113.5 | F61 L62 L81 | F61-F65 HydrophobicContact CD1-CD2 4.4Å; F61-F65 AromaticContact CD1-CE2 3.87Å; F61-F65 HydrophobicContact CD1-CE2 3.87Å; F61-F65 HydrophobicContact CE1-CD2 4.32Å; F61-F65 AromaticContact CE1-CE2 3.52Å; F61-F65 HydrophobicContact CE1-CE2 3.52Å; F61-F65 HydrophobicContact CE1-CZ 4.2Å; F61-F65 HydrophobicContact CE2-CE2 4.25Å; F61-F65 HydrophobicContact CG-CE2 4.37Å; F61-F65 AromaticContact CZ-CE2 3.73Å; F61-F65 HydrophobicContact CZ-CE2 3.73Å; F61-F65 HydrophobicContact CZ-CZ 4.06Å; F61-F65 VanDerWaalsContact O-CD2 3.28Å; F61-F65 WeakPolarHBondContact O-CD2 3.23Å; L62-F65 PolarHBondContact O-N 3.41Å; L62-F65 VanDerWaalsContact O-N 3.1Å; F65-L81 HydrophobicContact CE2-CD1 4.26Å |
| 66 | E | 75.1 | Confident | 71.8 | Confident | 68 Ų | 68 | 80.8 Ų | 80.8 | 32% | 0.318 | 39% | 0.389 | S | S | . | . | trans | -69.8 | 126.9 | -173.8 | -168.1 | 179.7 | 139.3 | 0 | 0 | 112.4 | L62 A68 F69 R391 | L62-E66 PolarHBondContact O-N 2.89Å; E66-A68 PolarHBondContact O-N 3.03Å; E66-F69 HydrophobicContact CB-CD2 4.09Å; E66-F69 HydrophobicContact CG-CD2 4.24Å; E66-F69 PolarHBondContact O-N 3.23Å; E66-R391 IonicContact OE1-CZ 3.14Å; E66-R391 IonicContact OE1-NH2 2.76Å; E66-R391 PolarHBondContact OE1-NH2 2.88Å; E66-R391 IonicContact OE2-CZ 3.16Å; E66-R391 IonicContact OE2-NH1 2.75Å; E66-R391 PolarHBondContact OE2-NH1 3.05Å; E66-R391 IonicContact OE2-NH2 3.82Å; E66-R391 PolarHBondContact OE2-NH2 2.81Å | ||
| 67 | P | 62.4 | Low | 71.3 | Confident | 89 Ų | 89 | 81.7 Ų | 81.7 | 58% | 0.578 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -56.5 | -29.4 | -173.1 | -29.5 | 36 | 0 | 0 | 0 | 115.6 | F69 R70 | P67-F69 PolarHBondContact O-N 3.17Å; P67-R70 WeakPolarHBondContact O-CD 3.35Å; P67-R70 VanDerWaalsContact O-CG 3.28Å; P67-R70 WeakPolarHBondContact O-CG 3.38Å; P67-R70 PolarHBondContact O-N 2.88Å |
| 68 | A | 59.5 | Low | 70.9 | Confident | 82 Ų | 82 | 83.7 Ų | 83.7 | 68% | 0.678 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -65.5 | -20 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | E66 | E66-A68 PolarHBondContact O-N 3.03Š|
| 69 | F | 52.8 | Low | 70.8 | Confident | 59 Ų | 59 | 80.4 Ų | 80.4 | 26% | 0.259 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -103.6 | 9.3 | -175.1 | -69.2 | -97.1 | 0 | 0 | 0 | 113.4 | E66 P67 K71 F72 | E66-F69 HydrophobicContact CB-CD2 4.09Å; E66-F69 HydrophobicContact CG-CD2 4.24Å; E66-F69 PolarHBondContact O-N 3.23Å; P67-F69 PolarHBondContact O-N 3.17Å; F69-K71 PolarHBondContact O-N 3.46Å; F69-F72 HydrophobicContact CB-CD2 4.19Å; F69-F72 AromaticContact CD1-CD2 3.82Å; F69-F72 HydrophobicContact CD1-CD2 3.82Å; F69-F72 AromaticContact CD1-CE2 3.71Å; F69-F72 HydrophobicContact CD1-CE2 3.71Å; F69-F72 HydrophobicContact CE1-CE2 4.28Å; F69-F72 HydrophobicContact CG-CD2 4.5Å; F69-F72 PolarHBondContact O-N 3.08Å |
| 70 | R | 50.3 | Low | 70.9 | Confident | 206 Ų | 206 | 80.6 Ų | 80.6 | 78% | 0.777 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -9.6 | 177.2 | -80 | 175.6 | 172.6 | -172 | -1.4 | 116.4 | P67 | P67-R70 WeakPolarHBondContact O-CD 3.35Å; P67-R70 VanDerWaalsContact O-CG 3.28Å; P67-R70 WeakPolarHBondContact O-CG 3.38Å; P67-R70 PolarHBondContact O-N 2.88Å |
| 71 | K | 47.9 | Very low | 71.1 | Confident | 200 Ų | 200 | 80.8 Ų | 80.8 | 87% | 0.87 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -13.3 | 174.6 | -145.3 | 172.9 | -173.8 | 177.9 | 0 | 113.8 | F69 R73 | F69-K71 PolarHBondContact O-N 3.46Å; K71-R73 PolarHBondContact O-N 3.5Å |
| 72 | F | 48.7 | Very low | 71.3 | Confident | 119 Ų | 119 | 79.1 Ų | 79.1 | 52% | 0.522 | 38% | 0.378 | S | S | . | . | trans | -78.6 | 59 | 171 | -75.7 | -89.7 | 0 | 0 | 0 | 111.1 | F69 | F69-F72 HydrophobicContact CB-CD2 4.19Å; F69-F72 AromaticContact CD1-CD2 3.82Å; F69-F72 HydrophobicContact CD1-CD2 3.82Å; F69-F72 AromaticContact CD1-CE2 3.71Å; F69-F72 HydrophobicContact CD1-CE2 3.71Å; F69-F72 HydrophobicContact CE1-CE2 4.28Å; F69-F72 HydrophobicContact CG-CD2 4.5Å; F69-F72 PolarHBondContact O-N 3.08Å | ||
| 73 | R | 55.6 | Low | 71.7 | Confident | 228 Ų | 228 | 74.6 Ų | 74.6 | 86% | 0.86 | 35% | 0.354 | S | S | * | . | trans | -108.4 | 34.2 | -179.8 | -139.2 | 175.3 | -167.8 | -176.3 | 2.7 | 111.1 | K71 | K71-R73 PolarHBondContact O-N 3.5Š| ||
| 74 | T | 63.9 | Low | 72.3 | Confident | 77 Ų | 77 | 73.6 Ų | 73.6 | 47% | 0.472 | 35% | 0.347 | S | S | . | . | trans | -83.4 | 147.2 | 169.7 | 83.1 | 0 | 0 | 0 | 0 | 108.9 | F76 D77 | T74-F76 PolarHBondContact O-N 2.75Å; T74-F76 VanDerWaalsContact O-N 3.11Å; T74-D77 WeakPolarHBondContact CA-OD2 3.49Å; T74-D77 VanDerWaalsContact CB-OD2 3.29Å; T74-D77 WeakPolarHBondContact CB-OD2 3.35Å; T74-D77 PolarHBondContact N-OD2 3.03Å; T74-D77 WeakPolarHBondContact O-CB 3.44Å; T74-D77 PolarHBondContact O-N 2.88Å; T74-D77 VanDerWaalsContact OG1-CG 3.22Å; T74-D77 PolarHBondContact OG1-OD2 3.47Å | ||
| 75 | N | 67.6 | Low | 73.2 | Confident | 36 Ų | 36 | 74 Ų | 74 | 19% | 0.193 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.3 | -23.6 | -177.9 | -43.4 | -73 | 0 | 0 | 0 | 112.2 | D77 F78 A155 F157 T160 | N75-D77 VanDerWaalsContact C-N 3.34Å; N75-F78 WeakPolarHBondContact O-CB 3.39Å; N75-F78 PolarHBondContact O-N 2.97Å; N75-A155 VanDerWaalsContact CG-O 3.29Å; N75-A155 PolarHBondContact ND2-O 2.84Å; N75-F157 WeakPolarHBondContact OD1-CA 3.38Å; N75-F157 WeakPolarHBondContact OD1-CB 3.35Å; N75-F157 PolarHBondContact OD1-N 2.76Å; N75-T160 HydrophobicContact CB-CG2 4.3Å; N75-T160 WeakPolarHBondContact CB-OG1 3.28Å |
| 76 | F | 71.8 | Confident | 74 | Confident | 35 Ų | 35 | 68 Ų | 68 | 15% | 0.154 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.4 | -30.5 | 175.7 | -178.9 | -109.9 | 0 | 0 | 0 | 113.3 | T74 F78 M79 I80 I138 H141 R142 | T74-F76 PolarHBondContact O-N 2.75Å; T74-F76 VanDerWaalsContact O-N 3.11Å; F76-F78 PolarHBondContact O-N 3.44Å; F76-M79 PolarHBondContact O-N 3.29Å; F76-I80 HydrophobicContact CD1-CD1 4.12Å; F76-I80 HydrophobicContact CE1-CD1 3.62Å; F76-I80 HydrophobicContact CE1-CG1 4.36Å; F76-I80 HydrophobicContact CZ-CD1 4.12Å; F76-I80 HydrophobicContact CZ-CG1 4.48Å; F76-I80 PolarHBondContact O-N 3.35Å; F76-I138 HydrophobicContact CE2-CB 4.21Å; F76-I138 HydrophobicContact CE2-CG1 3.96Å; F76-I138 HydrophobicContact CE2-CG2 3.96Å; F76-I138 HydrophobicContact CZ-CG2 3.95Å; F76-H141 HydrophobicContact CD2-CB 4.42Å; F76-H141 AromaticContact CD2-CE1 3.66Å; F76-H141 AromaticContact CD2-CG 3.9Å; F76-H141 AromaticContact CD2-ND1 3.08Å; F76-H141 WeakPolarHBondContact CD2-ND1 3.29Å; F76-H141 HydrophobicContact CE2-CB 4.39Å; F76-H141 AromaticContact CE2-ND1 3.5Å; F76-H141 WeakPolarHBondContact CE2-ND1 3.42Å; F76-H141 AromaticContact CG-CE1 3.83Å; F76-H141 AromaticContact CG-ND1 3.69Å; F76-R142 HydrophobicContact CZ-CG 4.24Å |
| 77 | D | 79.4 | Confident | 75 | Confident | 25 Ų | 25 | 64.8 Ų | 64.8 | 13% | 0.134 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.3 | -31.1 | 177.5 | -57.5 | -54.1 | 0 | 0 | 0 | 111.1 | F64 T74 N75 I80 L81 | F64-D77 HydrophobicContact CE2-CB 4.1Å; T74-D77 WeakPolarHBondContact CA-OD2 3.49Å; T74-D77 VanDerWaalsContact CB-OD2 3.29Å; T74-D77 WeakPolarHBondContact CB-OD2 3.35Å; T74-D77 PolarHBondContact N-OD2 3.03Å; T74-D77 WeakPolarHBondContact O-CB 3.44Å; T74-D77 PolarHBondContact O-N 2.88Å; T74-D77 VanDerWaalsContact OG1-CG 3.22Å; T74-D77 PolarHBondContact OG1-OD2 3.47Å; N75-D77 VanDerWaalsContact C-N 3.34Å; D77-I80 PolarHBondContact O-N 3.42Å; D77-L81 PolarHBondContact O-N 3.45Å |
| 78 | F | 83.9 | Confident | 76.5 | Confident | 44 Ų | 44 | 62 Ų | 62 | 19% | 0.193 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.5 | -36.5 | 174.5 | -174.1 | -102.6 | 0 | 0 | 0 | 112.9 | N75 F76 I80 L81 N82 F157 T160 L161 T164 | N75-F78 WeakPolarHBondContact O-CB 3.39Å; N75-F78 PolarHBondContact O-N 2.97Å; F76-F78 PolarHBondContact O-N 3.44Å; F78-I80 VanDerWaalsContact C-N 3.31Å; F78-I80 PolarHBondContact O-N 2.78Å; F78-L81 HydrophobicContact CD2-CD2 4.45Å; F78-L81 WeakPolarHBondContact O-CB 3.48Å; F78-L81 PolarHBondContact O-N 2.89Å; F78-N82 WeakPolarHBondContact O-CB 3.26Å; F78-N82 PolarHBondContact O-N 3.47Å; F78-F157 HydrophobicContact CD2-CE2 4.39Å; F78-T160 HydrophobicContact CD1-CG2 4.26Å; F78-L161 HydrophobicContact CE1-CD1 4.03Å; F78-L161 HydrophobicContact CZ-CD1 3.76Å; F78-T164 HydrophobicContact CE1-CG2 4Å; F78-T164 WeakPolarHBondContact CE1-OG1 3.49Å |
| 79 | M | 87.9 | Confident | 78.3 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 3% | 0.034 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.9 | -34.2 | 174.6 | -61.6 | -58.3 | -55.1 | 0 | 0 | 111.8 | F76 L83 T134 V137 I138 T160 T164 L167 | F76-M79 PolarHBondContact O-N 3.29Å; M79-L83 PolarHBondContact O-N 3Å; M79-T134 HydrophobicContact CE-CG2 4.09Å; M79-T134 WeakPolarHBondContact O-CG2 3.4Å; M79-V137 HydrophobicContact CE-CB 4.47Å; M79-V137 HydrophobicContact CE-CG1 4.04Å; M79-I138 HydrophobicContact CB-CD1 4.25Å; M79-I138 HydrophobicContact CB-CG1 4.06Å; M79-T160 HydrophobicContact CG-CG2 3.96Å; M79-T160 HydrophobicContact SD-CG2 3.66Å; M79-T164 PolarHBondContact SD-OG1 2.89Å; M79-T164 VanDerWaalsContact SD-OG1 3.37Å; M79-L167 HydrophobicContact CE-CD1 4.14Å |
| 80 | I | 89 | Confident | 80.3 | Confident | 28 Ų | 28 | 58 Ų | 58 | 14% | 0.144 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.8 | -40.8 | 173.8 | -65.6 | 175.7 | 0 | 0 | 0 | 110.6 | V60 F76 D77 F78 L83 S84 I138 | V60-I80 HydrophobicContact CG1-CG2 3.9Å; F76-I80 HydrophobicContact CD1-CD1 4.12Å; F76-I80 HydrophobicContact CE1-CD1 3.62Å; F76-I80 HydrophobicContact CE1-CG1 4.36Å; F76-I80 HydrophobicContact CZ-CD1 4.12Å; F76-I80 HydrophobicContact CZ-CG1 4.48Å; F76-I80 PolarHBondContact O-N 3.35Å; D77-I80 PolarHBondContact O-N 3.42Å; F78-I80 VanDerWaalsContact C-N 3.31Å; F78-I80 PolarHBondContact O-N 2.78Å; I80-L83 PolarHBondContact O-N 2.98Å; I80-S84 PolarHBondContact O-N 2.87Å; I80-S84 PolarHBondContact O-OG 3.07Å; I80-I138 HydrophobicContact CG1-CD1 4.27Å |
| 81 | L | 88.9 | Confident | 82.5 | Confident | 22 Ų | 22 | 48.2 Ų | 48.2 | 12% | 0.115 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.4 | -50.1 | 173.5 | -177.6 | 68.3 | 0 | 0 | 0 | 111 | F61 F64 F65 D77 F78 L83 S84 F85 | F61-L81 HydrophobicContact CD2-CD1 3.47Å; F61-L81 VanDerWaalsContact CD2-CD1 3.47Å; F61-L81 HydrophobicContact CD2-CG 4.41Å; F61-L81 HydrophobicContact CE2-CD1 3.83Å; F61-L81 HydrophobicContact CE2-CG 4.48Å; F61-L81 HydrophobicContact CG-CD1 4.13Å; F64-L81 HydrophobicContact CB-CD1 3.89Å; F64-L81 HydrophobicContact CD1-CD1 4.27Å; F64-L81 HydrophobicContact CD1-CD2 3.71Å; F64-L81 HydrophobicContact CD2-CB 4.49Å; F64-L81 HydrophobicContact CD2-CD2 4.49Å; F64-L81 HydrophobicContact CE1-CD2 3.78Å; F64-L81 HydrophobicContact CG-CD1 4.05Å; F64-L81 HydrophobicContact CG-CD2 4.09Å; F64-L81 HydrophobicContact CG-CG 4.49Å; F64-L81 HydrophobicContact CZ-CD2 4.21Å; F65-L81 HydrophobicContact CE2-CD1 4.26Å; D77-L81 PolarHBondContact O-N 3.45Å; F78-L81 HydrophobicContact CD2-CD2 4.45Å; F78-L81 WeakPolarHBondContact O-CB 3.48Å; F78-L81 PolarHBondContact O-N 2.89Å; L81-L83 VanDerWaalsContact C-N 3.33Å; L81-L83 PolarHBondContact O-N 3.06Å; L81-S84 PolarHBondContact O-N 3.46Å; L81-S84 PolarHBondContact O-OG 3.5Å; L81-F85 PolarHBondContact O-N 3.12Å |
| 82 | N | 92.4 | Very high | 84.8 | Confident | 13 Ų | 13 | 41.2 Ų | 41.2 | 7% | 0.07 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.1 | -45.5 | 177 | -176.9 | 80.4 | 0 | 0 | 0 | 112.2 | F78 F85 C86 M130 T134 T164 W168 | F78-N82 WeakPolarHBondContact O-CB 3.26Å; F78-N82 PolarHBondContact O-N 3.47Å; N82-F85 PolarHBondContact O-N 3.41Å; N82-C86 PolarHBondContact O-N 2.89Å; N82-C86 PolarHBondContact O-SG 2.92Å; N82-M130 WeakPolarHBondContact ND2-CE 3.49Å; N82-T134 PolarHBondContact ND2-OG1 2.85Å; N82-T164 HydrophobicContact CB-CG2 4.3Å; N82-T164 WeakPolarHBondContact OD1-CG2 3.3Å; N82-W168 PolarHBondContact OD1-NE1 3.28Å |
| 83 | L | 93.1 | Very high | 87 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.7 | -48.9 | 176 | -176.1 | 56.8 | 0 | 0 | 0 | 111.8 | M79 I80 L81 F85 C86 D87 S131 T134 V135 I138 Y381 | M79-L83 PolarHBondContact O-N 3Å; I80-L83 PolarHBondContact O-N 2.98Å; L81-L83 VanDerWaalsContact C-N 3.33Å; L81-L83 PolarHBondContact O-N 3.06Å; L83-F85 PolarHBondContact O-N 2.92Å; L83-C86 PolarHBondContact O-N 3.32Å; L83-C86 VanDerWaalsContact O-N 3.15Å; L83-D87 WeakPolarHBondContact CD1-OD2 3.43Å; L83-D87 WeakPolarHBondContact CG-OD2 3.37Å; L83-D87 WeakPolarHBondContact O-CB 3.3Å; L83-D87 PolarHBondContact O-N 2.95Å; L83-S131 VanDerWaalsContact CD1-OG 3.3Å; L83-S131 WeakPolarHBondContact CD1-OG 3.48Å; L83-T134 HydrophobicContact CB-CG2 3.71Å; L83-T134 HydrophobicContact CD1-CG2 4.24Å; L83-T134 HydrophobicContact CG-CG2 4.39Å; L83-V135 HydrophobicContact CD1-CG2 3.84Å; L83-V135 HydrophobicContact CD2-CG2 3.55Å; L83-V135 HydrophobicContact CG-CG2 4.37Å; L83-I138 HydrophobicContact CD2-CD1 4.03Å; L83-Y381 HydrophobicContact CD2-CE2 3.62Å; L83-Y381 WeakPolarHBondContact CD2-OH 3.39Å |
| 84 | S | 93.4 | Very high | 88.8 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.014 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.2 | -30.5 | 179.7 | 68.3 | 0 | 0 | 0 | 0 | 112.7 | I80 L81 L88 | I80-S84 PolarHBondContact O-N 2.87Å; I80-S84 PolarHBondContact O-OG 3.07Å; L81-S84 PolarHBondContact O-N 3.46Å; L81-S84 PolarHBondContact O-OG 3.5Å; S84-L88 WeakPolarHBondContact O-CB 3.16Å; S84-L88 PolarHBondContact O-N 3.25Å |
| 85 | F | 93.9 | Very high | 90.3 | Very high | 88 Ų | 88 | 23.6 Ų | 23.6 | 39% | 0.386 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -70.6 | -45.4 | 173 | 178 | -104.4 | 0 | 0 | 0 | 112.2 | F61 L81 N82 L83 L88 F89 W168 | F61-F85 HydrophobicContact CD2-CB 4.28Å; F61-F85 HydrophobicContact CE2-CB 4.12Å; F61-F85 AromaticContact CE2-CD2 4Å; F61-F85 HydrophobicContact CE2-CD2 4Å; F61-F85 HydrophobicContact CE2-CG 4.47Å; L81-F85 PolarHBondContact O-N 3.12Å; N82-F85 PolarHBondContact O-N 3.41Å; L83-F85 PolarHBondContact O-N 2.92Å; F85-L88 PolarHBondContact O-N 2.69Å; F85-F89 PolarHBondContact O-N 3.1Å; F85-W168 HydrophobicContact CD1-CH2 4.31Å; F85-W168 AromaticContact CD1-CZ2 3.99Å; F85-W168 HydrophobicContact CD1-CZ2 3.99Å; F85-W168 AromaticContact CE1-CH2 3.9Å; F85-W168 HydrophobicContact CE1-CH2 3.9Å; F85-W168 AromaticContact CE1-CZ2 3.97Å; F85-W168 HydrophobicContact CE1-CZ2 3.97Å |
| 86 | C | 95.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.4 | -45.9 | 176.2 | -61.6 | 0 | 0 | 0 | 0 | 111.5 | N82 L83 F89 I90 F127 | N82-C86 PolarHBondContact O-N 2.89Å; N82-C86 PolarHBondContact O-SG 2.92Å; L83-C86 PolarHBondContact O-N 3.32Å; L83-C86 VanDerWaalsContact O-N 3.15Å; C86-F89 PolarHBondContact O-N 3.14Å; C86-I90 WeakPolarHBondContact O-CG1 3.28Å; C86-I90 PolarHBondContact O-N 3.35Å; C86-F127 HydrophobicContact CB-CD1 4.05Å |
| 87 | D | 95.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.2 | -34.1 | 179.4 | -72.4 | -22.4 | 0 | 0 | 0 | 112.2 | N57 L83 I90 C91 S131 S374 N377 | N57-D87 WeakPolarHBondContact OD1-CB 3.17Å; L83-D87 WeakPolarHBondContact CD1-OD2 3.43Å; L83-D87 WeakPolarHBondContact CG-OD2 3.37Å; L83-D87 WeakPolarHBondContact O-CB 3.3Å; L83-D87 PolarHBondContact O-N 2.95Å; D87-I90 PolarHBondContact O-N 3.11Å; D87-C91 WeakPolarHBondContact O-CB 3.33Å; D87-C91 PolarHBondContact O-N 2.94Å; D87-C91 PolarHBondContact O-SG 2.96Å; D87-S131 PolarHBondContact OD1-OG 2.68Å; D87-S374 VanDerWaalsContact OD1-CB 3.28Å; D87-S374 WeakPolarHBondContact OD1-CB 3.25Å; D87-S374 PolarHBondContact OD1-OG 2.88Å; D87-N377 WeakPolarHBondContact OD2-CB 2.95Å; D87-N377 PolarHBondContact OD2-ND2 3.41Å |
| 88 | L | 95.4 | Very high | 93 | Very high | 30 Ų | 30 | 22.3 Ų | 22.3 | 16% | 0.157 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.2 | -40 | 170.3 | -176.4 | 65.4 | 0 | 0 | 0 | 111.6 | S54 N57 L58 S84 F85 C91 C92 | S54-L88 WeakPolarHBondContact O-CD1 3.44Å; N57-L88 HydrophobicContact CB-CB 4.04Å; N57-L88 HydrophobicContact CB-CD1 4.48Å; L58-L88 HydrophobicContact CB-CD1 4.3Å; L58-L88 HydrophobicContact CD1-CD2 4.48Å; S84-L88 WeakPolarHBondContact O-CB 3.16Å; S84-L88 PolarHBondContact O-N 3.25Å; F85-L88 PolarHBondContact O-N 2.69Å; L88-C91 PolarHBondContact O-N 3.35Å; L88-C92 WeakPolarHBondContact CD1-SG 3.36Å; L88-C92 WeakPolarHBondContact O-CB 3.33Å; L88-C92 PolarHBondContact O-N 3.35Å; L88-C92 PolarHBondContact O-SG 3.38Å |
| 89 | F | 96.3 | Very high | 93.3 | Very high | 56 Ų | 56 | 21.3 Ų | 21.3 | 25% | 0.246 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.2 | -44.1 | 174.6 | -166.1 | -78 | 0 | 0 | 0 | 111.5 | F85 C86 C91 V93 T94 T123 F127 | F85-F89 PolarHBondContact O-N 3.1Å; C86-F89 PolarHBondContact O-N 3.14Å; F89-C91 VanDerWaalsContact C-N 3.35Å; F89-C91 PolarHBondContact O-N 3.46Å; F89-V93 HydrophobicContact CD1-CB 3.98Å; F89-V93 HydrophobicContact CD1-CG2 4.34Å; F89-V93 HydrophobicContact CD2-CG2 4.13Å; F89-V93 HydrophobicContact CE1-CB 3.72Å; F89-V93 HydrophobicContact CE1-CG1 3.79Å; F89-V93 HydrophobicContact CE1-CG2 4.23Å; F89-V93 HydrophobicContact CE2-CB 4.4Å; F89-V93 HydrophobicContact CE2-CG2 4.03Å; F89-V93 HydrophobicContact CG-CB 4.42Å; F89-V93 HydrophobicContact CG-CG2 4.29Å; F89-V93 HydrophobicContact CZ-CB 3.96Å; F89-V93 HydrophobicContact CZ-CG1 3.78Å; F89-V93 HydrophobicContact CZ-CG2 4.08Å; F89-V93 WeakPolarHBondContact O-CA 3.28Å; F89-V93 WeakPolarHBondContact O-CB 3.45Å; F89-V93 PolarHBondContact O-N 2.9Å; F89-T94 PolarHBondContact O-N 3.47Å; F89-T123 HydrophobicContact CE1-CG2 4.07Å; F89-T123 HydrophobicContact CZ-CG2 4.23Å; F89-F127 HydrophobicContact CB-CD1 4Å; F89-F127 HydrophobicContact CB-CE1 3.74Å; F89-F127 HydrophobicContact CB-CE2 4.41Å; F89-F127 HydrophobicContact CB-CG 4.43Å; F89-F127 HydrophobicContact CB-CZ 3.97Å; F89-F127 HydrophobicContact CD1-CD1 4.27Å; F89-F127 AromaticContact CD1-CD2 3.4Å; F89-F127 HydrophobicContact CD1-CD2 3.4Å; F89-F127 VanDerWaalsContact CD1-CD2 3.4Å; F89-F127 HydrophobicContact CD1-CE1 4.15Å; F89-F127 AromaticContact CD1-CE2 3.28Å; F89-F127 HydrophobicContact CD1-CE2 3.28Å; F89-F127 AromaticContact CD1-CG 3.93Å; F89-F127 HydrophobicContact CD1-CG 3.93Å; F89-F127 AromaticContact CD1-CZ 3.68Å; F89-F127 HydrophobicContact CD1-CZ 3.68Å; F89-F127 HydrophobicContact CD2-CE1 4.25Å; F89-F127 AromaticContact CD2-CE2 3.96Å; F89-F127 HydrophobicContact CD2-CE2 3.96Å; F89-F127 AromaticContact CD2-CZ 3.63Å; F89-F127 HydrophobicContact CD2-CZ 3.63Å; F89-F127 AromaticContact CE1-CD2 3.67Å; F89-F127 HydrophobicContact CE1-CD2 3.67Å; F89-F127 AromaticContact CE1-CE2 3.34Å; F89-F127 HydrophobicContact CE1-CE2 3.34Å; F89-F127 HydrophobicContact CE1-CZ 4.06Å; F89-F127 HydrophobicContact CE2-CE2 4Å; F89-F127 AromaticContact CE2-CZ 4Å; F89-F127 HydrophobicContact CE2-CZ 4Å; F89-F127 HydrophobicContact CG-CD1 4.22Å; F89-F127 HydrophobicContact CG-CD2 4.04Å; F89-F127 AromaticContact CG-CE1 3.78Å; F89-F127 HydrophobicContact CG-CE1 3.78Å; F89-F127 AromaticContact CG-CE2 3.61Å; F89-F127 HydrophobicContact CG-CE2 3.61Å; F89-F127 HydrophobicContact CG-CG 4.34Å; F89-F127 AromaticContact CG-CZ 3.46Å; F89-F127 HydrophobicContact CG-CZ 3.46Å; F89-F127 VanDerWaalsContact CG-CZ 3.46Å; F89-F127 HydrophobicContact CZ-CD2 4.47Å; F89-F127 AromaticContact CZ-CE2 3.71Å; F89-F127 HydrophobicContact CZ-CE2 3.71Å; F89-F127 HydrophobicContact CZ-CZ 4.2Å |
| 90 | I | 96.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | I | π-helix | trans | -57.8 | -47.8 | 175.9 | -69.2 | 165.3 | 0 | 0 | 0 | 110.7 | C86 D87 T94 A95 F127 F371 S374 | C86-I90 WeakPolarHBondContact O-CG1 3.28Å; C86-I90 PolarHBondContact O-N 3.35Å; D87-I90 PolarHBondContact O-N 3.11Å; I90-T94 PolarHBondContact O-N 2.79Å; I90-A95 WeakPolarHBondContact O-CB 3.43Å; I90-A95 PolarHBondContact O-N 2.88Å; I90-F127 HydrophobicContact CD1-CB 4.04Å; I90-F127 HydrophobicContact CG1-CB 3.74Å; I90-F371 HydrophobicContact CG2-CB 4.19Å; I90-F371 HydrophobicContact CG2-CD1 3.52Å; I90-F371 HydrophobicContact CG2-CE1 4.27Å; I90-F371 HydrophobicContact CG2-CG 4.15Å; I90-S374 VanDerWaalsContact CD1-OG 3.3Å; I90-S374 WeakPolarHBondContact CD1-OG 3.34Å |
| 91 | C | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | I | π-helix | trans | -73.3 | -39.6 | -177.7 | -63.7 | 0 | 0 | 0 | 0 | 113.5 | F50 S54 D87 L88 F89 P96 | F50-C91 WeakPolarHBondContact CD2-O 3.03Å; S54-C91 WeakPolarHBondContact OG-CB 3.49Å; D87-C91 WeakPolarHBondContact O-CB 3.33Å; D87-C91 PolarHBondContact O-N 2.94Å; D87-C91 PolarHBondContact O-SG 2.96Å; L88-C91 PolarHBondContact O-N 3.35Å; F89-C91 VanDerWaalsContact C-N 3.35Å; F89-C91 PolarHBondContact O-N 3.46Å; C91-P96 WeakPolarHBondContact O-CD 3.29Å |
| 92 | C | 95.6 | Very high | 92.9 | Very high | 54 Ų | 54 | 23 Ų | 23 | 37% | 0.365 | 13% | 0.127 | S | C | . | . | I | π-helix | trans | -84.3 | -26.8 | -177 | -72.2 | 0 | 0 | 0 | 0 | 114.6 | S54 L88 | S54-C92 VanDerWaalsContact CB-SG 3.6Å; S54-C92 PolarHBondContact OG-SG 2.95Å; S54-C92 VanDerWaalsContact OG-SG 3.32Å; L88-C92 WeakPolarHBondContact CD1-SG 3.36Å; L88-C92 WeakPolarHBondContact O-CB 3.33Å; L88-C92 PolarHBondContact O-N 3.35Å; L88-C92 PolarHBondContact O-SG 3.38Å |
| 93 | V | 95.1 | Very high | 92.4 | Very high | 52 Ų | 52 | 28 Ų | 28 | 32% | 0.315 | 15% | 0.148 | S | C | . | . | I | π-helix | trans | -121.8 | -59.2 | -171 | -172.3 | 0 | 0 | 0 | 0 | 110.7 | F89 A95 P96 M97 | F89-V93 HydrophobicContact CD1-CB 3.98Å; F89-V93 HydrophobicContact CD1-CG2 4.34Å; F89-V93 HydrophobicContact CD2-CG2 4.13Å; F89-V93 HydrophobicContact CE1-CB 3.72Å; F89-V93 HydrophobicContact CE1-CG1 3.79Å; F89-V93 HydrophobicContact CE1-CG2 4.23Å; F89-V93 HydrophobicContact CE2-CB 4.4Å; F89-V93 HydrophobicContact CE2-CG2 4.03Å; F89-V93 HydrophobicContact CG-CB 4.42Å; F89-V93 HydrophobicContact CG-CG2 4.29Å; F89-V93 HydrophobicContact CZ-CB 3.96Å; F89-V93 HydrophobicContact CZ-CG1 3.78Å; F89-V93 HydrophobicContact CZ-CG2 4.08Å; F89-V93 WeakPolarHBondContact O-CA 3.28Å; F89-V93 WeakPolarHBondContact O-CB 3.45Å; F89-V93 PolarHBondContact O-N 2.9Å; V93-A95 PolarHBondContact O-N 2.92Å; V93-P96 WeakPolarHBondContact O-CD 3.49Å; V93-M97 HydrophobicContact CG1-CG 4.43Å; V93-M97 HydrophobicContact CG1-SD 3.91Å; V93-M97 WeakPolarHBondContact O-CB 3.37Å; V93-M97 VanDerWaalsContact O-CG 3.28Å; V93-M97 WeakPolarHBondContact O-CG 3.29Å; V93-M97 PolarHBondContact O-N 2.9Å |
| 94 | T | 94.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | I | π-helix | trans | -68 | -41.4 | -171.6 | -48.9 | 0 | 0 | 0 | 0 | 112.9 | F89 I90 M97 F98 F120 F371 | F89-T94 PolarHBondContact O-N 3.47Å; I90-T94 PolarHBondContact O-N 2.79Å; T94-M97 PolarHBondContact O-N 3.09Å; T94-F98 PolarHBondContact O-N 3.31Å; T94-F120 HydrophobicContact CG2-CD2 4.43Å; T94-F120 HydrophobicContact CG2-CE2 3.97Å; T94-F371 HydrophobicContact CG2-CE1 3.57Å; T94-F371 HydrophobicContact CG2-CZ 3.65Å |
| 95 | A | 94.1 | Very high | 90.4 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 2% | 0.017 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.9 | -43.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L46 I49 I90 V93 F98 A99 F371 | L46-A95 HydrophobicContact CD2-CB 3.92Å; I49-A95 HydrophobicContact CG2-CB 4.48Å; I90-A95 WeakPolarHBondContact O-CB 3.43Å; I90-A95 PolarHBondContact O-N 2.88Å; V93-A95 PolarHBondContact O-N 2.92Å; A95-F98 PolarHBondContact O-N 3.13Å; A95-A99 PolarHBondContact O-N 3.22Å; A95-F371 HydrophobicContact CB-CD2 4.32Å |
| 96 | P | 93.8 | Very high | 88.8 | Confident | 41 Ų | 41 | 33.6 Ų | 33.6 | 27% | 0.266 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.9 | -39.5 | 167.2 | -30.3 | 38.7 | 0 | 0 | 0 | 114.5 | F50 C91 V93 F98 A99 L100 | F50-P96 HydrophobicContact CD2-CG 3.7Å; F50-P96 HydrophobicContact CE2-CG 4.04Å; C91-P96 WeakPolarHBondContact O-CD 3.29Å; V93-P96 WeakPolarHBondContact O-CD 3.49Å; P96-F98 VanDerWaalsContact C-N 3.34Å; P96-F98 PolarHBondContact O-N 3.09Å; P96-A99 PolarHBondContact O-N 3.02Å; P96-L100 WeakPolarHBondContact O-CG 3.48Å; P96-L100 PolarHBondContact O-N 3.48Å |
| 97 | M | 91.5 | Very high | 86.7 | Confident | 28 Ų | 28 | 36.4 Ų | 36.4 | 14% | 0.138 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.6 | -42.7 | 174.4 | -74.5 | -179.3 | 80.1 | 0 | 0 | 111.6 | V93 T94 L100 V101 F116 A119 F120 | V93-M97 HydrophobicContact CG1-CG 4.43Å; V93-M97 HydrophobicContact CG1-SD 3.91Å; V93-M97 WeakPolarHBondContact O-CB 3.37Å; V93-M97 VanDerWaalsContact O-CG 3.28Å; V93-M97 WeakPolarHBondContact O-CG 3.29Å; V93-M97 PolarHBondContact O-N 2.9Å; T94-M97 PolarHBondContact O-N 3.09Å; M97-L100 WeakPolarHBondContact O-CB 3.38Å; M97-L100 PolarHBondContact O-N 2.9Å; M97-V101 WeakPolarHBondContact O-CG2 3.45Å; M97-V101 PolarHBondContact O-N 2.68Å; M97-F116 HydrophobicContact CB-CE1 4.13Å; M97-F116 HydrophobicContact CB-CZ 3.85Å; M97-F116 HydrophobicContact CE-CD1 4.01Å; M97-F116 HydrophobicContact CE-CD2 4.17Å; M97-F116 HydrophobicContact CE-CE1 3.8Å; M97-F116 HydrophobicContact CE-CE2 3.97Å; M97-F116 HydrophobicContact CE-CG 4.21Å; M97-F116 HydrophobicContact CE-CZ 3.79Å; M97-F116 HydrophobicContact CG-CE1 4.36Å; M97-F116 HydrophobicContact CG-CE2 4.27Å; M97-F116 HydrophobicContact CG-CZ 3.75Å; M97-A119 HydrophobicContact CE-CB 4.25Å; M97-F120 HydrophobicContact CB-CD2 3.89Å; M97-F120 HydrophobicContact CE-CB 3.97Å |
| 98 | F | 91.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 175.1 | -174.3 | -120.7 | 0 | 0 | 0 | 111.8 | L46 T94 A95 P96 L100 V101 L102 F120 L364 F367 V368 F371 | L46-F98 HydrophobicContact CD1-CD1 3.77Å; L46-F98 HydrophobicContact CD1-CE1 4.26Å; L46-F98 HydrophobicContact CD2-CD1 4.01Å; T94-F98 PolarHBondContact O-N 3.31Å; A95-F98 PolarHBondContact O-N 3.13Å; P96-F98 VanDerWaalsContact C-N 3.34Å; P96-F98 PolarHBondContact O-N 3.09Å; F98-L100 VanDerWaalsContact C-N 3.28Å; F98-L100 PolarHBondContact O-N 3.4Å; F98-V101 WeakPolarHBondContact O-CB 3.41Å; F98-V101 PolarHBondContact O-N 3.05Å; F98-V101 VanDerWaalsContact O-N 3.1Å; F98-L102 HydrophobicContact CD1-CD1 4.04Å; F98-L102 HydrophobicContact CD1-CG 4.32Å; F98-L102 HydrophobicContact CE1-CD1 3.77Å; F98-L102 HydrophobicContact CE1-CD2 4.18Å; F98-L102 HydrophobicContact CE1-CG 4.11Å; F98-L102 HydrophobicContact CE2-CD2 4.18Å; F98-L102 HydrophobicContact CE2-CG 4.49Å; F98-L102 HydrophobicContact CZ-CD1 4.3Å; F98-L102 HydrophobicContact CZ-CD2 3.86Å; F98-L102 HydrophobicContact CZ-CG 4.22Å; F98-L102 WeakPolarHBondContact O-CG 3.43Å; F98-L102 PolarHBondContact O-N 3.42Å; F98-F120 HydrophobicContact CB-CE2 3.73Å; F98-F120 HydrophobicContact CB-CZ 3.88Å; F98-F120 HydrophobicContact CD2-CE1 4.05Å; F98-F120 HydrophobicContact CD2-CE2 4.22Å; F98-F120 AromaticContact CD2-CZ 3.47Å; F98-F120 HydrophobicContact CD2-CZ 3.47Å; F98-F120 VanDerWaalsContact CD2-CZ 3.47Å; F98-F120 HydrophobicContact CE2-CZ 4.39Å; F98-F120 HydrophobicContact CG-CE2 4.41Å; F98-F120 HydrophobicContact CG-CZ 4.05Å; F98-L364 HydrophobicContact CE2-CD2 4.48Å; F98-L364 HydrophobicContact CZ-CD2 3.85Å; F98-F367 HydrophobicContact CE1-CB 4.18Å; F98-F367 HydrophobicContact CE2-CB 4.24Å; F98-F367 HydrophobicContact CZ-CB 3.76Å; F98-V368 HydrophobicContact CD1-CG2 4.37Å; F98-V368 HydrophobicContact CE1-CG2 3.7Å; F98-F371 HydrophobicContact CB-CE2 3.78Å; F98-F371 HydrophobicContact CB-CZ 4.34Å; F98-F371 HydrophobicContact CD1-CD2 4.46Å; F98-F371 AromaticContact CD1-CE2 3.81Å; F98-F371 HydrophobicContact CD1-CE2 3.81Å; F98-F371 AromaticContact CG-CE2 3.87Å; F98-F371 HydrophobicContact CG-CE2 3.87Å |
| 99 | A | 90.6 | Very high | 82.4 | Confident | 22 Ų | 22 | 43.4 Ų | 43.4 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.8 | -39.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L46 A95 P96 L102 F103 | L46-A99 HydrophobicContact CD1-CB 4.21Å; A95-A99 PolarHBondContact O-N 3.22Å; P96-A99 PolarHBondContact O-N 3.02Å; A99-L102 PolarHBondContact O-N 3.49Å; A99-F103 WeakPolarHBondContact O-CD2 3.22Å; A99-F103 PolarHBondContact O-N 3.27Å; A99-F103 VanDerWaalsContact O-N 3.11Å |
| 100 | L | 88 | Confident | 80.7 | Confident | 89 Ų | 89 | 48 Ų | 48 | 47% | 0.466 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 173.4 | -71.9 | 169 | 0 | 0 | 0 | 112.2 | P96 M97 F98 F103 L104 F116 | P96-L100 WeakPolarHBondContact O-CG 3.48Å; P96-L100 PolarHBondContact O-N 3.48Å; M97-L100 WeakPolarHBondContact O-CB 3.38Å; M97-L100 PolarHBondContact O-N 2.9Å; F98-L100 VanDerWaalsContact C-N 3.28Å; F98-L100 PolarHBondContact O-N 3.4Å; L100-F103 PolarHBondContact O-N 2.97Å; L100-L104 HydrophobicContact CB-CD1 4.49Å; L100-L104 VanDerWaalsContact O-CB 3.28Å; L100-L104 WeakPolarHBondContact O-CB 3.39Å; L100-L104 VanDerWaalsContact O-CG 3.26Å; L100-L104 WeakPolarHBondContact O-CG 3.45Å; L100-L104 PolarHBondContact O-N 2.87Å; L100-F116 HydrophobicContact CB-CZ 4.2Å; L100-F116 HydrophobicContact CD1-CE2 4.34Å; L100-F116 HydrophobicContact CD1-CZ 4.1Å |
| 101 | V | 84.5 | Confident | 79.3 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.9 | -50.3 | 171.9 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | M97 F98 F103 L104 D105 V112 F116 F120 C190 L191 | M97-V101 WeakPolarHBondContact O-CG2 3.45Å; M97-V101 PolarHBondContact O-N 2.68Å; F98-V101 WeakPolarHBondContact O-CB 3.41Å; F98-V101 PolarHBondContact O-N 3.05Å; F98-V101 VanDerWaalsContact O-N 3.1Å; V101-F103 VanDerWaalsContact C-N 3.29Å; V101-F103 PolarHBondContact O-N 3.18Å; V101-L104 PolarHBondContact O-N 3.17Å; V101-D105 WeakPolarHBondContact O-CB 3.46Å; V101-D105 PolarHBondContact O-N 2.94Å; V101-V112 HydrophobicContact CG2-CG1 4.5Å; V101-V112 HydrophobicContact CG2-CG2 4.37Å; V101-F116 HydrophobicContact CG2-CE1 4.04Å; V101-F120 HydrophobicContact CG2-CD1 4.43Å; V101-C190 HydrophobicContact CG1-CB 4.25Å; V101-L191 HydrophobicContact CG1-CD1 4.31Å; V101-L191 HydrophobicContact CG1-CG 3.99Å |
| 102 | L | 83.6 | Confident | 78.3 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.026 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -56.8 | -38.5 | -179 | -66.7 | -179.1 | 0 | 0 | 0 | 113.8 | L39 C42 L46 F98 A99 A106 L191 L364 | L39-L102 HydrophobicContact CD1-CB 4.13Å; C42-L102 HydrophobicContact CB-CD1 4.37Å; L46-L102 HydrophobicContact CD1-CD1 3.7Å; F98-L102 HydrophobicContact CD1-CD1 4.04Å; F98-L102 HydrophobicContact CD1-CG 4.32Å; F98-L102 HydrophobicContact CE1-CD1 3.77Å; F98-L102 HydrophobicContact CE1-CD2 4.18Å; F98-L102 HydrophobicContact CE1-CG 4.11Å; F98-L102 HydrophobicContact CE2-CD2 4.18Å; F98-L102 HydrophobicContact CE2-CG 4.49Å; F98-L102 HydrophobicContact CZ-CD1 4.3Å; F98-L102 HydrophobicContact CZ-CD2 3.86Å; F98-L102 HydrophobicContact CZ-CG 4.22Å; F98-L102 WeakPolarHBondContact O-CG 3.43Å; F98-L102 PolarHBondContact O-N 3.42Å; A99-L102 PolarHBondContact O-N 3.49Å; L102-A106 VanDerWaalsContact O-CB 3.3Å; L102-A106 WeakPolarHBondContact O-CB 3.29Å; L102-L191 HydrophobicContact CD2-CD2 4.22Å; L102-L364 HydrophobicContact CD2-CD2 3.4Å |
| 103 | F | 82 | Confident | 77.7 | Confident | 117 Ų | 117 | 52.3 Ų | 52.3 | 51% | 0.513 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -86.2 | -33.1 | -178.3 | -71.2 | -59.1 | 0 | 0 | 0 | 114 | S43 A99 L100 V101 G107 | S43-F103 VanDerWaalsContact OG-CZ 3.26Å; S43-F103 WeakPolarHBondContact OG-CZ 3.28Å; A99-F103 WeakPolarHBondContact O-CD2 3.22Å; A99-F103 PolarHBondContact O-N 3.27Å; A99-F103 VanDerWaalsContact O-N 3.11Å; L100-F103 PolarHBondContact O-N 2.97Å; V101-F103 VanDerWaalsContact C-N 3.29Å; V101-F103 PolarHBondContact O-N 3.18Å; F103-G107 PolarHBondContact O-N 2.95Å |
| 104 | L | 77.6 | Confident | 76.9 | Confident | 91 Ų | 91 | 55.5 Ų | 55.5 | 48% | 0.476 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -79.4 | -39.9 | 179.8 | -67.2 | 171.5 | 0 | 0 | 0 | 112 | L100 V101 A106 G107 V112 | L100-L104 HydrophobicContact CB-CD1 4.49Å; L100-L104 VanDerWaalsContact O-CB 3.28Å; L100-L104 WeakPolarHBondContact O-CB 3.39Å; L100-L104 VanDerWaalsContact O-CG 3.26Å; L100-L104 WeakPolarHBondContact O-CG 3.45Å; L100-L104 PolarHBondContact O-N 2.87Å; V101-L104 PolarHBondContact O-N 3.17Å; L104-A106 VanDerWaalsContact C-N 3.31Å; L104-A106 PolarHBondContact O-N 3.22Å; L104-G107 PolarHBondContact O-N 3.38Å; L104-V112 HydrophobicContact CB-CG2 3.8Å; L104-V112 HydrophobicContact CD1-CG2 4.02Å |
| 105 | D | 67.8 | Low | 76.5 | Confident | 49 Ų | 49 | 60.2 Ų | 60.2 | 26% | 0.262 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.9 | -34 | 179 | -151.5 | 90.6 | 0 | 0 | 0 | 111.3 | V101 G107 P189 C190 L191 | V101-D105 WeakPolarHBondContact O-CB 3.46Å; V101-D105 PolarHBondContact O-N 2.94Å; D105-G107 VanDerWaalsContact C-N 3.25Å; D105-G107 PolarHBondContact O-N 3.13Å; D105-P189 VanDerWaalsContact CG-CB 3.49Å; D105-P189 WeakPolarHBondContact OD1-CA 3.27Å; D105-P189 WeakPolarHBondContact OD1-CB 3.33Å; D105-P189 WeakPolarHBondContact OD2-CB 3.31Å; D105-C190 PolarHBondContact OD1-N 3.48Å; D105-C190 VanDerWaalsContact OD1-N 3.07Å; D105-L191 HydrophobicContact CB-CD1 3.96Å; D105-L191 VanDerWaalsContact OD2-CD1 3.3Å; D105-L191 WeakPolarHBondContact OD2-CD1 3.24Å |
| 106 | A | 60.3 | Low | 76.1 | Confident | 68 Ų | 68 | 63 Ų | 63 | 56% | 0.562 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -8.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L102 L104 | L102-A106 VanDerWaalsContact O-CB 3.3Å; L102-A106 WeakPolarHBondContact O-CB 3.29Å; L104-A106 VanDerWaalsContact C-N 3.31Å; L104-A106 PolarHBondContact O-N 3.22Å |
| 107 | G | 50.7 | Low | 75.6 | Confident | 59 Ų | 59 | 61.3 Ų | 61.3 | 61% | 0.608 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -24.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | F103 L104 D105 | F103-G107 PolarHBondContact O-N 2.95Å; L104-G107 PolarHBondContact O-N 3.38Å; D105-G107 VanDerWaalsContact C-N 3.25Å; D105-G107 PolarHBondContact O-N 3.13Å |
| 108 | G | 50.7 | Low | 75.3 | Confident | 67 Ų | 67 | 63.3 Ų | 63.3 | 69% | 0.691 | 41% | 0.406 | S | S | * | . | trans | 64.2 | 67 | 162.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 109 | A | 51 | Low | 75.2 | Confident | 110 Ų | 110 | 65 Ų | 65 | 91% | 0.909 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -156.7 | -52.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 110 | D | 59.8 | Low | 75.2 | Confident | 153 Ų | 153 | 64 Ų | 64 | 82% | 0.818 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -127.3 | 121.7 | 178.8 | -153.9 | 1.5 | 0 | 0 | 0 | 108.1 | ||
| 111 | G | 66.6 | Low | 75.1 | Confident | 55 Ų | 55 | 61.1 Ų | 61.1 | 57% | 0.567 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -79.3 | 171.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S113 | G111-S113 PolarHBondContact O-N 3.24Š|
| 112 | V | 75.6 | Confident | 75.4 | Confident | 16 Ų | 16 | 63 Ų | 63 | 10% | 0.097 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 131.8 | 171.6 | 175.1 | 0 | 0 | 0 | 0 | 109.9 | V101 L104 F116 C190 | V101-V112 HydrophobicContact CG2-CG1 4.5Å; V101-V112 HydrophobicContact CG2-CG2 4.37Å; L104-V112 HydrophobicContact CB-CG2 3.8Å; L104-V112 HydrophobicContact CD1-CG2 4.02Å; V112-F116 HydrophobicContact CG1-CB 3.92Å; V112-F116 HydrophobicContact CG1-CD1 3.31Å; V112-F116 HydrophobicContact CG1-CE1 4.02Å; V112-F116 HydrophobicContact CG1-CG 3.84Å; V112-C190 HydrophobicContact CB-CB 3.87Å; V112-C190 HydrophobicContact CG1-CB 4.13Å; V112-C190 HydrophobicContact CG2-CB 4.48Å |
| 113 | S | 83 | Confident | 75.9 | Confident | 75 Ų | 75 | 64 Ų | 64 | 52% | 0.524 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -63 | 142.2 | -172.9 | 78.4 | 0 | 0 | 0 | 0 | 112.4 | G111 S115 F116 C117 | G111-S113 PolarHBondContact O-N 3.24Å; S113-S115 PolarHBondContact O-N 3.48Å; S113-S115 VanDerWaalsContact O-N 3.09Å; S113-F116 WeakPolarHBondContact O-CA 3.39Å; S113-F116 WeakPolarHBondContact O-CB 3.32Å; S113-F116 PolarHBondContact O-N 3.43Å; S113-F116 WeakPolarHBondContact OG-CB 3.34Å; S113-F116 PolarHBondContact OG-N 3.46Å; S113-C117 WeakPolarHBondContact O-CB 3.03Å; S113-C117 PolarHBondContact O-N 2.86Å |
| 114 | K | 79.3 | Confident | 76.3 | Confident | 119 Ų | 119 | 58.6 Ų | 58.6 | 52% | 0.517 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -49.9 | -38.7 | -178 | -77.9 | 176.9 | -179.5 | 171.6 | 0 | 113.7 | C117 F118 Y183 D187 | K114-C117 VanDerWaalsContact O-CB 3.27Å; K114-C117 WeakPolarHBondContact O-CB 3.36Å; K114-F118 PolarHBondContact O-N 3.05Å; K114-Y183 VanDerWaalsContact CB-OH 3.22Å; K114-Y183 WeakPolarHBondContact CB-OH 3.26Å; K114-Y183 WeakPolarHBondContact CG-OH 3.42Å; K114-D187 WeakPolarHBondContact CE-OD1 3.04Å; K114-D187 IonicContact NZ-OD1 2.64Å; K114-D187 PolarHBondContact NZ-OD1 3.3Å |
| 115 | S | 84.1 | Confident | 76.9 | Confident | 98 Ų | 98 | 54.7 Ų | 54.7 | 69% | 0.685 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -71.4 | -37.8 | 175.8 | -53.7 | 0 | 0 | 0 | 0 | 113.5 | S113 A119 | S113-S115 PolarHBondContact O-N 3.48Å; S113-S115 VanDerWaalsContact O-N 3.09Å; S115-A119 WeakPolarHBondContact O-CB 3.07Å; S115-A119 PolarHBondContact O-N 3.15Å |
| 116 | F | 86.2 | Confident | 78.2 | Confident | 60 Ų | 60 | 52.4 Ų | 52.4 | 26% | 0.263 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.6 | -42.8 | 173.1 | -174.1 | -72.5 | 0 | 0 | 0 | 110.6 | M97 L100 V101 V112 S113 F118 A119 F120 | M97-F116 HydrophobicContact CB-CE1 4.13Å; M97-F116 HydrophobicContact CB-CZ 3.85Å; M97-F116 HydrophobicContact CE-CD1 4.01Å; M97-F116 HydrophobicContact CE-CD2 4.17Å; M97-F116 HydrophobicContact CE-CE1 3.8Å; M97-F116 HydrophobicContact CE-CE2 3.97Å; M97-F116 HydrophobicContact CE-CG 4.21Å; M97-F116 HydrophobicContact CE-CZ 3.79Å; M97-F116 HydrophobicContact CG-CE1 4.36Å; M97-F116 HydrophobicContact CG-CE2 4.27Å; M97-F116 HydrophobicContact CG-CZ 3.75Å; L100-F116 HydrophobicContact CB-CZ 4.2Å; L100-F116 HydrophobicContact CD1-CE2 4.34Å; L100-F116 HydrophobicContact CD1-CZ 4.1Å; V101-F116 HydrophobicContact CG2-CE1 4.04Å; V112-F116 HydrophobicContact CG1-CB 3.92Å; V112-F116 HydrophobicContact CG1-CD1 3.31Å; V112-F116 HydrophobicContact CG1-CE1 4.02Å; V112-F116 HydrophobicContact CG1-CG 3.84Å; S113-F116 WeakPolarHBondContact O-CA 3.39Å; S113-F116 WeakPolarHBondContact O-CB 3.32Å; S113-F116 PolarHBondContact O-N 3.43Å; S113-F116 WeakPolarHBondContact OG-CB 3.34Å; S113-F116 PolarHBondContact OG-N 3.46Å; F116-F118 PolarHBondContact O-N 3.36Å; F116-A119 PolarHBondContact O-N 3.4Å; F116-F120 WeakPolarHBondContact O-CB 3.5Å; F116-F120 PolarHBondContact O-N 3.35Å |
| 117 | C | 83.6 | Confident | 79.9 | Confident | 6 Ų | 6 | 49.8 Ų | 49.8 | 4% | 0.041 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -51.4 | -54.3 | 173.7 | -145.3 | 0 | 0 | 0 | 0 | 111.3 | S113 K114 F120 H121 C190 | S113-C117 WeakPolarHBondContact O-CB 3.03Å; S113-C117 PolarHBondContact O-N 2.86Å; K114-C117 VanDerWaalsContact O-CB 3.27Å; K114-C117 WeakPolarHBondContact O-CB 3.36Å; C117-F120 PolarHBondContact O-N 3.17Å; C117-H121 PolarHBondContact O-CD2 3.29Å; C117-H121 PolarHBondContact O-N 3.39Å; C117-C190 HydrophobicContact CB-CB 4.14Å; C117-C190 WeakPolarHBondContact CB-SG 3.42Å; C117-C190 WeakPolarHBondContact SG-CA 3.47Å; C117-C190 WeakPolarHBondContact SG-CB 3.2Å; C117-C190 CovalentContact SG-SG 2.04Å; C117-C190 PolarHBondContact SG-SG 2.98Å |
| 118 | F | 85.4 | Confident | 81.9 | Confident | 70 Ų | 70 | 47.2 Ų | 47.2 | 31% | 0.307 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.8 | -46.2 | 177.2 | -177.6 | -87.8 | 0 | 0 | 0 | 112.3 | K114 F116 F120 H121 L122 T179 M180 Y183 | K114-F118 PolarHBondContact O-N 3.05Å; F116-F118 PolarHBondContact O-N 3.36Å; F118-F120 VanDerWaalsContact C-N 3.33Å; F118-F120 PolarHBondContact O-N 2.6Å; F118-H121 PolarHBondContact O-N 3.31Å; F118-L122 HydrophobicContact CE1-CD2 3.88Å; F118-L122 VanDerWaalsContact O-CB 3.27Å; F118-L122 WeakPolarHBondContact O-CB 3.5Å; F118-L122 PolarHBondContact O-N 3.22Å; F118-T179 HydrophobicContact CD2-CG2 3.49Å; F118-T179 VanDerWaalsContact CD2-CG2 3.49Å; F118-T179 HydrophobicContact CE2-CG2 3.58Å; F118-T179 HydrophobicContact CG-CG2 4.1Å; F118-T179 HydrophobicContact CZ-CG2 4.25Å; F118-M180 HydrophobicContact CE2-CG 4.42Å; F118-M180 HydrophobicContact CE2-SD 4.02Å; F118-M180 HydrophobicContact CZ-SD 4.31Å; F118-Y183 HydrophobicContact CB-CD2 4.41Å; F118-Y183 HydrophobicContact CB-CE2 4.06Å; F118-Y183 HydrophobicContact CD2-CD2 4.08Å; F118-Y183 HydrophobicContact CD2-CE2 4.39Å |
| 119 | A | 89.8 | Confident | 84 | Confident | 37 Ų | 37 | 44 Ų | 44 | 31% | 0.306 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.1 | -37.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | M97 S115 F116 T123 | M97-A119 HydrophobicContact CE-CB 4.25Å; S115-A119 WeakPolarHBondContact O-CB 3.07Å; S115-A119 PolarHBondContact O-N 3.15Å; F116-A119 PolarHBondContact O-N 3.4Å; A119-T123 WeakPolarHBondContact O-CB 3.38Å; A119-T123 WeakPolarHBondContact O-CG2 3.5Å; A119-T123 PolarHBondContact O-N 3.43Å; A119-T123 PolarHBondContact O-OG1 2.86Å |
| 120 | F | 89.2 | Confident | 86.1 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64 | -51.8 | 175.7 | 174.3 | -112.9 | 0 | 0 | 0 | 111.4 | T94 M97 F98 V101 F116 C117 F118 L122 T123 S124 F371 | T94-F120 HydrophobicContact CG2-CD2 4.43Å; T94-F120 HydrophobicContact CG2-CE2 3.97Å; M97-F120 HydrophobicContact CB-CD2 3.89Å; M97-F120 HydrophobicContact CE-CB 3.97Å; F98-F120 HydrophobicContact CB-CE2 3.73Å; F98-F120 HydrophobicContact CB-CZ 3.88Å; F98-F120 HydrophobicContact CD2-CE1 4.05Å; F98-F120 HydrophobicContact CD2-CE2 4.22Å; F98-F120 AromaticContact CD2-CZ 3.47Å; F98-F120 HydrophobicContact CD2-CZ 3.47Å; F98-F120 VanDerWaalsContact CD2-CZ 3.47Å; F98-F120 HydrophobicContact CE2-CZ 4.39Å; F98-F120 HydrophobicContact CG-CE2 4.41Å; F98-F120 HydrophobicContact CG-CZ 4.05Å; V101-F120 HydrophobicContact CG2-CD1 4.43Å; F116-F120 WeakPolarHBondContact O-CB 3.5Å; F116-F120 PolarHBondContact O-N 3.35Å; C117-F120 PolarHBondContact O-N 3.17Å; F118-F120 VanDerWaalsContact C-N 3.33Å; F118-F120 PolarHBondContact O-N 2.6Å; F120-L122 PolarHBondContact O-N 3.03Å; F120-T123 PolarHBondContact O-OG1 3.42Å; F120-S124 WeakPolarHBondContact O-CB 3.45Å; F120-S124 PolarHBondContact O-N 3.47Å; F120-S124 PolarHBondContact O-OG 2.99Å; F120-F371 HydrophobicContact CE2-CZ 4.44Å |
| 121 | H | 87.1 | Confident | 87.8 | Confident | 28 Ų | 28 | 31.5 Ų | 31.5 | 13% | 0.13 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.7 | -42.3 | 179.1 | -68.7 | -57 | 0 | 0 | 0 | 112.6 | C117 F118 S124 S125 T179 | C117-H121 PolarHBondContact O-CD2 3.29Å; C117-H121 PolarHBondContact O-N 3.39Å; F118-H121 PolarHBondContact O-N 3.31Å; H121-S124 PolarHBondContact O-OG 3.43Å; H121-S125 WeakPolarHBondContact O-CB 3.33Å; H121-S125 PolarHBondContact O-N 3.21Å; H121-S125 VanDerWaalsContact O-N 3.08Å; H121-S125 PolarHBondContact O-OG 2.95Å; H121-T179 HydrophobicContact CB-CG2 3.95Å |
| 122 | L | 91 | Very high | 89.1 | Confident | 41 Ų | 41 | 29 Ų | 29 | 22% | 0.215 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.9 | -46.6 | 178.6 | 179.6 | 62.2 | 0 | 0 | 0 | 112.2 | F118 F120 G126 A175 A176 T179 | F118-L122 HydrophobicContact CE1-CD2 3.88Å; F118-L122 VanDerWaalsContact O-CB 3.27Å; F118-L122 WeakPolarHBondContact O-CB 3.5Å; F118-L122 PolarHBondContact O-N 3.22Å; F120-L122 PolarHBondContact O-N 3.03Å; L122-G126 PolarHBondContact O-N 3.15Å; L122-G126 VanDerWaalsContact O-N 3.13Å; L122-A175 HydrophobicContact CD1-CB 4.01Å; L122-A176 HydrophobicContact CD1-CB 4.07Å; L122-T179 WeakPolarHBondContact CA-OG1 3.28Å; L122-T179 PolarHBondContact N-OG1 3.46Å |
| 123 | T | 92.3 | Very high | 90.1 | Very high | 24 Ų | 24 | 29.1 Ų | 29.1 | 15% | 0.147 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -74.1 | -42.5 | -179.7 | 56.6 | 0 | 0 | 0 | 0 | 112.2 | F89 A119 F120 F127 | F89-T123 HydrophobicContact CE1-CG2 4.07Å; F89-T123 HydrophobicContact CZ-CG2 4.23Å; A119-T123 WeakPolarHBondContact O-CB 3.38Å; A119-T123 WeakPolarHBondContact O-CG2 3.5Å; A119-T123 PolarHBondContact O-N 3.43Å; A119-T123 PolarHBondContact O-OG1 2.86Å; F120-T123 PolarHBondContact O-OG1 3.42Å; T123-F127 HydrophobicContact CG2-CE2 4.48Å; T123-F127 WeakPolarHBondContact O-CB 3.5Å; T123-F127 WeakPolarHBondContact O-CD2 3.08Å; T123-F127 PolarHBondContact O-N 3.03Å |
| 124 | S | 90.9 | Very high | 90.6 | Very high | 4 Ų | 4 | 25.5 Ų | 25.5 | 3% | 0.028 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.8 | -55.5 | 178.7 | 57.3 | 0 | 0 | 0 | 0 | 111.7 | F120 H121 G126 I128 | F120-S124 WeakPolarHBondContact O-CB 3.45Å; F120-S124 PolarHBondContact O-N 3.47Å; F120-S124 PolarHBondContact O-OG 2.99Å; H121-S124 PolarHBondContact O-OG 3.43Å; S124-G126 PolarHBondContact O-N 3.39Å; S124-I128 WeakPolarHBondContact O-CB 3.5Å; S124-I128 WeakPolarHBondContact O-CD1 3.48Å; S124-I128 WeakPolarHBondContact O-CG1 3.08Å; S124-I128 PolarHBondContact O-N 3Å |
| 125 | S | 91.1 | Very high | 91.3 | Very high | 10 Ų | 10 | 20.1 Ų | 20.1 | 7% | 0.07 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.5 | -45.1 | 179.3 | 59 | 0 | 0 | 0 | 0 | 112.2 | H121 I129 A175 | H121-S125 WeakPolarHBondContact O-CB 3.33Å; H121-S125 PolarHBondContact O-N 3.21Å; H121-S125 VanDerWaalsContact O-N 3.08Å; H121-S125 PolarHBondContact O-OG 2.95Å; S125-I129 VanDerWaalsContact O-CG2 3.26Å; S125-I129 WeakPolarHBondContact O-CG2 3.33Å; S125-I129 PolarHBondContact O-N 3.16Å; S125-A175 VanDerWaalsContact OG-CB 3.27Å; S125-A175 WeakPolarHBondContact OG-CB 3.37Å |
| 126 | G | 93.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.9 | -48 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L122 S124 M130 A175 | L122-G126 PolarHBondContact O-N 3.15Å; L122-G126 VanDerWaalsContact O-N 3.13Å; S124-G126 PolarHBondContact O-N 3.39Å; G126-M130 WeakPolarHBondContact O-CB 3.18Å; G126-M130 PolarHBondContact O-N 3.04Å; G126-A175 VanDerWaalsContact CA-CB 3.46Å |
| 127 | F | 95.9 | Very high | 92.2 | Very high | 13 Ų | 13 | 14.6 Ų | 14.6 | 6% | 0.057 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -73.1 | -34.4 | 178.5 | -79.3 | -80.1 | 0 | 0 | 0 | 112.6 | C86 F89 I90 T123 S131 W168 F172 | C86-F127 HydrophobicContact CB-CD1 4.05Å; F89-F127 HydrophobicContact CB-CD1 4Å; F89-F127 HydrophobicContact CB-CE1 3.74Å; F89-F127 HydrophobicContact CB-CE2 4.41Å; F89-F127 HydrophobicContact CB-CG 4.43Å; F89-F127 HydrophobicContact CB-CZ 3.97Å; F89-F127 HydrophobicContact CD1-CD1 4.27Å; F89-F127 AromaticContact CD1-CD2 3.4Å; F89-F127 HydrophobicContact CD1-CD2 3.4Å; F89-F127 VanDerWaalsContact CD1-CD2 3.4Å; F89-F127 HydrophobicContact CD1-CE1 4.15Å; F89-F127 AromaticContact CD1-CE2 3.28Å; F89-F127 HydrophobicContact CD1-CE2 3.28Å; F89-F127 AromaticContact CD1-CG 3.93Å; F89-F127 HydrophobicContact CD1-CG 3.93Å; F89-F127 AromaticContact CD1-CZ 3.68Å; F89-F127 HydrophobicContact CD1-CZ 3.68Å; F89-F127 HydrophobicContact CD2-CE1 4.25Å; F89-F127 AromaticContact CD2-CE2 3.96Å; F89-F127 HydrophobicContact CD2-CE2 3.96Å; F89-F127 AromaticContact CD2-CZ 3.63Å; F89-F127 HydrophobicContact CD2-CZ 3.63Å; F89-F127 AromaticContact CE1-CD2 3.67Å; F89-F127 HydrophobicContact CE1-CD2 3.67Å; F89-F127 AromaticContact CE1-CE2 3.34Å; F89-F127 HydrophobicContact CE1-CE2 3.34Å; F89-F127 HydrophobicContact CE1-CZ 4.06Å; F89-F127 HydrophobicContact CE2-CE2 4Å; F89-F127 AromaticContact CE2-CZ 4Å; F89-F127 HydrophobicContact CE2-CZ 4Å; F89-F127 HydrophobicContact CG-CD1 4.22Å; F89-F127 HydrophobicContact CG-CD2 4.04Å; F89-F127 AromaticContact CG-CE1 3.78Å; F89-F127 HydrophobicContact CG-CE1 3.78Å; F89-F127 AromaticContact CG-CE2 3.61Å; F89-F127 HydrophobicContact CG-CE2 3.61Å; F89-F127 HydrophobicContact CG-CG 4.34Å; F89-F127 AromaticContact CG-CZ 3.46Å; F89-F127 HydrophobicContact CG-CZ 3.46Å; F89-F127 VanDerWaalsContact CG-CZ 3.46Å; F89-F127 HydrophobicContact CZ-CD2 4.47Å; F89-F127 AromaticContact CZ-CE2 3.71Å; F89-F127 HydrophobicContact CZ-CE2 3.71Å; F89-F127 HydrophobicContact CZ-CZ 4.2Å; I90-F127 HydrophobicContact CD1-CB 4.04Å; I90-F127 HydrophobicContact CG1-CB 3.74Å; T123-F127 HydrophobicContact CG2-CE2 4.48Å; T123-F127 WeakPolarHBondContact O-CB 3.5Å; T123-F127 WeakPolarHBondContact O-CD2 3.08Å; T123-F127 PolarHBondContact O-N 3.03Å; F127-S131 WeakPolarHBondContact O-CB 3.3Å; F127-S131 PolarHBondContact O-N 2.68Å; F127-W168 HydrophobicContact CD1-CH2 4.45Å; F127-W168 AromaticContact CE1-CH2 3.59Å; F127-W168 HydrophobicContact CE1-CH2 3.59Å; F127-W168 HydrophobicContact CE1-CZ3 4.18Å; F127-W168 HydrophobicContact CZ-CH2 4.01Å; F127-W168 HydrophobicContact CZ-CZ3 4.29Å; F127-F172 AromaticContact CD2-CZ 3.84Å; F127-F172 HydrophobicContact CD2-CZ 3.84Å; F127-F172 HydrophobicContact CE1-CZ 4.5Å; F127-F172 HydrophobicContact CE2-CE1 4.39Å; F127-F172 AromaticContact CE2-CZ 3.73Å; F127-F172 HydrophobicContact CE2-CZ 3.73Å; F127-F172 HydrophobicContact CG-CZ 4.27Å; F127-F172 HydrophobicContact CZ-CZ 4.09Å |
| 128 | I | 94.3 | Very high | 92.5 | Very high | 6 Ų | 6 | 14.3 Ų | 14.3 | 3% | 0.031 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60 | -51.9 | 174.5 | -75.5 | 167.8 | 0 | 0 | 0 | 110.4 | S124 S131 L132 F212 I370 F371 | S124-I128 WeakPolarHBondContact O-CB 3.5Å; S124-I128 WeakPolarHBondContact O-CD1 3.48Å; S124-I128 WeakPolarHBondContact O-CG1 3.08Å; S124-I128 PolarHBondContact O-N 3Å; I128-S131 PolarHBondContact O-N 3.47Å; I128-L132 HydrophobicContact CG2-CD1 3.95Å; I128-L132 WeakPolarHBondContact O-CG 3.5Å; I128-L132 PolarHBondContact O-N 3.47Å; I128-F212 HydrophobicContact CG2-CE2 4.46Å; I128-I370 HydrophobicContact CD1-CG1 4.09Å; I128-I370 HydrophobicContact CD1-CG2 3.71Å; I128-I370 HydrophobicContact CG1-CG1 4.19Å; I128-I370 HydrophobicContact CG2-CD1 4.17Å; I128-I370 HydrophobicContact CG2-CG1 3.61Å; I128-F371 HydrophobicContact CD1-CD1 4.31Å; I128-F371 HydrophobicContact CD1-CE1 3.87Å; I128-F371 HydrophobicContact CG1-CE1 4.39Å |
| 129 | I | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -70.3 | -38.8 | -175.9 | -160.9 | 65.2 | 0 | 0 | 0 | 111.1 | S125 S131 L132 E133 S171 Y208 D211 F212 | S125-I129 VanDerWaalsContact O-CG2 3.26Å; S125-I129 WeakPolarHBondContact O-CG2 3.33Å; S125-I129 PolarHBondContact O-N 3.16Å; I129-S131 VanDerWaalsContact C-N 3.33Å; I129-S131 PolarHBondContact O-N 2.96Å; I129-L132 HydrophobicContact CD1-CB 4.46Å; I129-L132 HydrophobicContact CD1-CD1 4.27Å; I129-L132 CarbonylContact O-C 3.56Å; I129-L132 WeakPolarHBondContact O-CA 3.48Å; I129-L132 WeakPolarHBondContact O-CB 3.48Å; I129-L132 PolarHBondContact O-N 3.48Å; I129-E133 PolarHBondContact O-N 3.41Å; I129-S171 WeakPolarHBondContact CG2-OG 3.44Å; I129-Y208 HydrophobicContact CB-CE2 4.13Å; I129-Y208 HydrophobicContact CG1-CE2 4.38Å; I129-Y208 HydrophobicContact CG2-CE2 4.36Å; I129-D211 WeakPolarHBondContact CD1-OD2 3.47Å; I129-D211 VanDerWaalsContact CG1-OD2 3.29Å; I129-D211 WeakPolarHBondContact CG1-OD2 3.49Å; I129-F212 HydrophobicContact CD1-CB 4.26Å |
| 130 | M | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -59.9 | -40.9 | 172.9 | -175.1 | 62.9 | -158.4 | 0 | 0 | 112.8 | N82 G126 L132 T134 T164 L167 W168 S171 | N82-M130 WeakPolarHBondContact ND2-CE 3.49Å; G126-M130 WeakPolarHBondContact O-CB 3.18Å; G126-M130 PolarHBondContact O-N 3.04Å; M130-L132 VanDerWaalsContact C-N 3.3Å; M130-T134 VanDerWaalsContact O-CB 3.23Å; M130-T134 WeakPolarHBondContact O-CB 3.38Å; M130-T134 PolarHBondContact O-N 3.33Å; M130-T134 PolarHBondContact O-OG1 3.07Å; M130-T164 HydrophobicContact CE-CG2 4.43Å; M130-L167 HydrophobicContact CE-CB 3.63Å; M130-L167 HydrophobicContact CE-CD1 4.5Å; M130-L167 HydrophobicContact SD-CB 3.73Å; M130-W168 HydrophobicContact CE-CD2 4.48Å; M130-W168 HydrophobicContact CE-CG 3.94Å; M130-W168 HydrophobicContact SD-CB 4.44Å; M130-W168 HydrophobicContact SD-CD2 4.43Å; M130-W168 HydrophobicContact SD-CG 4.06Å; M130-W168 PolarHBondContact SD-N 3.3Å; M130-W168 VanDerWaalsContact SD-N 3.44Å; M130-S171 WeakPolarHBondContact CA-OG 3.49Å; M130-S171 WeakPolarHBondContact CB-OG 3.46Å; M130-S171 PolarHBondContact N-OG 3.06Å; M130-S171 VanDerWaalsContact N-OG 3.07Å |
| 131 | S | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -68.2 | -28.8 | 173.7 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | L83 D87 F127 I128 I129 V135 K373 | L83-S131 VanDerWaalsContact CD1-OG 3.3Å; L83-S131 WeakPolarHBondContact CD1-OG 3.48Å; D87-S131 PolarHBondContact OD1-OG 2.68Å; F127-S131 WeakPolarHBondContact O-CB 3.3Å; F127-S131 PolarHBondContact O-N 2.68Å; I128-S131 PolarHBondContact O-N 3.47Å; I129-S131 VanDerWaalsContact C-N 3.33Å; I129-S131 PolarHBondContact O-N 2.96Å; S131-V135 WeakPolarHBondContact O-CG2 3.16Å; S131-V135 PolarHBondContact O-N 3.34Å; S131-K373 PolarHBondContact O-NZ 2.96Å; S131-K373 PolarHBondContact OG-NZ 3.37Å |
| 132 | L | 94.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 16.5 Ų | 16.5 | 2% | 0.016 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -77.5 | -51 | 176.3 | -76.7 | 167.6 | 0 | 0 | 0 | 112 | I128 I129 M130 T134 V135 A136 F212 C215 I370 K373 | I128-L132 HydrophobicContact CG2-CD1 3.95Å; I128-L132 WeakPolarHBondContact O-CG 3.5Å; I128-L132 PolarHBondContact O-N 3.47Å; I129-L132 HydrophobicContact CD1-CB 4.46Å; I129-L132 HydrophobicContact CD1-CD1 4.27Å; I129-L132 CarbonylContact O-C 3.56Å; I129-L132 WeakPolarHBondContact O-CA 3.48Å; I129-L132 WeakPolarHBondContact O-CB 3.48Å; I129-L132 PolarHBondContact O-N 3.48Å; M130-L132 VanDerWaalsContact C-N 3.3Å; L132-T134 VanDerWaalsContact C-N 3.26Å; L132-T134 PolarHBondContact O-N 2.9Å; L132-V135 PolarHBondContact O-N 2.88Å; L132-V135 VanDerWaalsContact O-N 3.09Å; L132-A136 PolarHBondContact O-N 3.41Å; L132-F212 HydrophobicContact CD1-CD2 3.43Å; L132-F212 VanDerWaalsContact CD1-CD2 3.43Å; L132-F212 HydrophobicContact CD1-CE2 3.48Å; L132-F212 VanDerWaalsContact CD1-CE2 3.48Å; L132-F212 HydrophobicContact CD1-CG 4.36Å; L132-F212 HydrophobicContact CD1-CZ 4.42Å; L132-C215 HydrophobicContact CB-CB 4.01Å; L132-I370 HydrophobicContact CD1-CD1 4.46Å; L132-K373 HydrophobicContact CD2-CD 4.27Å; L132-K373 VanDerWaalsContact N-NZ 3.2Å |
| 133 | E | 95.3 | Very high | 92.9 | Very high | 17 Ų | 17 | 15.8 Ų | 15.8 | 8% | 0.079 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -49.8 | -48.5 | 171.9 | -78.2 | -174.4 | 139.7 | 0 | 0 | 110.9 | I129 V135 A136 V137 L167 S170 S171 | I129-E133 PolarHBondContact O-N 3.41Å; E133-V135 PolarHBondContact O-N 2.93Å; E133-A136 WeakPolarHBondContact O-CB 3.43Å; E133-A136 PolarHBondContact O-N 2.93Å; E133-V137 WeakPolarHBondContact O-CG2 3.31Å; E133-V137 PolarHBondContact O-N 2.92Å; E133-L167 HydrophobicContact CB-CD1 4.42Å; E133-L167 HydrophobicContact CB-CD2 4.07Å; E133-L167 HydrophobicContact CG-CD2 4.27Å; E133-L167 WeakPolarHBondContact OE2-CA 3.49Å; E133-L167 WeakPolarHBondContact OE2-CB 3.48Å; E133-L167 VanDerWaalsContact OE2-O 3.09Å; E133-S170 PolarHBondContact OE1-OG 3.05Å; E133-S170 PolarHBondContact OE2-OG 3.46Å; E133-S171 PolarHBondContact OE2-OG 3.43Å |
| 134 | T | 94.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.8 | -43.1 | 178.9 | -61.9 | 0 | 0 | 0 | 0 | 112.2 | M79 N82 L83 M130 L132 V137 I138 | M79-T134 HydrophobicContact CE-CG2 4.09Å; M79-T134 WeakPolarHBondContact O-CG2 3.4Å; N82-T134 PolarHBondContact ND2-OG1 2.85Å; L83-T134 HydrophobicContact CB-CG2 3.71Å; L83-T134 HydrophobicContact CD1-CG2 4.24Å; L83-T134 HydrophobicContact CG-CG2 4.39Å; M130-T134 VanDerWaalsContact O-CB 3.23Å; M130-T134 WeakPolarHBondContact O-CB 3.38Å; M130-T134 PolarHBondContact O-N 3.33Å; M130-T134 PolarHBondContact O-OG1 3.07Å; L132-T134 VanDerWaalsContact C-N 3.26Å; L132-T134 PolarHBondContact O-N 2.9Å; T134-V137 PolarHBondContact O-N 3.44Å; T134-I138 HydrophobicContact CG2-CD1 3.88Å; T134-I138 WeakPolarHBondContact O-CB 3.4Å; T134-I138 VanDerWaalsContact O-CG1 3.26Å; T134-I138 WeakPolarHBondContact O-CG1 3.34Å; T134-I138 PolarHBondContact O-N 3.29Å |
| 135 | V | 93.9 | Very high | 92.2 | Very high | 5 Ų | 5 | 24.7 Ų | 24.7 | 3% | 0.03 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.5 | -34.9 | 177.2 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | L83 S131 L132 E133 I138 A139 V219 | L83-V135 HydrophobicContact CD1-CG2 3.84Å; L83-V135 HydrophobicContact CD2-CG2 3.55Å; L83-V135 HydrophobicContact CG-CG2 4.37Å; S131-V135 WeakPolarHBondContact O-CG2 3.16Å; S131-V135 PolarHBondContact O-N 3.34Å; L132-V135 PolarHBondContact O-N 2.88Å; L132-V135 VanDerWaalsContact O-N 3.09Å; E133-V135 PolarHBondContact O-N 2.93Å; V135-I138 PolarHBondContact O-N 2.88Å; V135-A139 WeakPolarHBondContact O-CB 3.41Å; V135-A139 PolarHBondContact O-N 3.07Å; V135-V219 HydrophobicContact CB-CG2 4.42Å; V135-V219 HydrophobicContact CG1-CG1 4.05Å; V135-V219 HydrophobicContact CG1-CG2 3.83Å |
| 136 | A | 94.9 | Very high | 92 | Very high | 7 Ų | 7 | 26.5 Ų | 26.5 | 6% | 0.058 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.9 | -47.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | L132 E133 I138 A139 L140 V218 V219 | L132-A136 PolarHBondContact O-N 3.41Å; E133-A136 WeakPolarHBondContact O-CB 3.43Å; E133-A136 PolarHBondContact O-N 2.93Å; A136-I138 VanDerWaalsContact C-N 3.35Å; A136-I138 PolarHBondContact O-N 3.06Å; A136-A139 PolarHBondContact O-N 3.47Å; A136-L140 WeakPolarHBondContact O-CG 3.26Å; A136-L140 PolarHBondContact O-N 3.14Å; A136-V218 HydrophobicContact CB-CB 4.36Å; A136-V218 HydrophobicContact CB-CG1 3.89Å; A136-V219 VanDerWaalsContact CA-CG2 3.49Å; A136-V219 HydrophobicContact CB-CG2 3.89Å |
| 137 | V | 93.2 | Very high | 91.5 | Very high | 35 Ų | 35 | 30.4 Ų | 30.4 | 21% | 0.212 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.5 | -42 | 173.9 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | M79 E133 T134 A139 L140 H141 L163 L167 | M79-V137 HydrophobicContact CE-CB 4.47Å; M79-V137 HydrophobicContact CE-CG1 4.04Å; E133-V137 WeakPolarHBondContact O-CG2 3.31Å; E133-V137 PolarHBondContact O-N 2.92Å; T134-V137 PolarHBondContact O-N 3.44Å; V137-A139 VanDerWaalsContact C-N 3.33Å; V137-A139 PolarHBondContact O-N 2.64Å; V137-L140 PolarHBondContact O-N 3.19Å; V137-H141 WeakPolarHBondContact O-CB 3.27Å; V137-H141 PolarHBondContact O-N 2.93Å; V137-L163 HydrophobicContact CG1-CD2 3.93Å; V137-L167 HydrophobicContact CG2-CD1 4.12Å |
| 138 | I | 91.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.5 | -40.6 | 174.8 | -76.5 | 169.2 | 0 | 0 | 0 | 111.6 | F76 M79 I80 L83 T134 V135 A136 R142 | F76-I138 HydrophobicContact CE2-CB 4.21Å; F76-I138 HydrophobicContact CE2-CG1 3.96Å; F76-I138 HydrophobicContact CE2-CG2 3.96Å; F76-I138 HydrophobicContact CZ-CG2 3.95Å; M79-I138 HydrophobicContact CB-CD1 4.25Å; M79-I138 HydrophobicContact CB-CG1 4.06Å; I80-I138 HydrophobicContact CG1-CD1 4.27Å; L83-I138 HydrophobicContact CD2-CD1 4.03Å; T134-I138 HydrophobicContact CG2-CD1 3.88Å; T134-I138 WeakPolarHBondContact O-CB 3.4Å; T134-I138 VanDerWaalsContact O-CG1 3.26Å; T134-I138 WeakPolarHBondContact O-CG1 3.34Å; T134-I138 PolarHBondContact O-N 3.29Å; V135-I138 PolarHBondContact O-N 2.88Å; A136-I138 VanDerWaalsContact C-N 3.35Å; A136-I138 PolarHBondContact O-N 3.06Å; I138-R142 WeakPolarHBondContact O-CG 3.38Å; I138-R142 PolarHBondContact O-N 3.14Å; I138-R142 VanDerWaalsContact O-N 3.09Å |
| 139 | A | 92.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.8 | -46 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V135 A136 V137 R142 L143 V219 Y223 | V135-A139 WeakPolarHBondContact O-CB 3.41Å; V135-A139 PolarHBondContact O-N 3.07Å; A136-A139 PolarHBondContact O-N 3.47Å; V137-A139 VanDerWaalsContact C-N 3.33Å; V137-A139 PolarHBondContact O-N 2.64Å; A139-R142 PolarHBondContact O-N 2.86Å; A139-L143 WeakPolarHBondContact O-CB 3.3Å; A139-L143 PolarHBondContact O-N 2.94Å; A139-V219 HydrophobicContact CB-CG2 4.49Å; A139-Y223 HydrophobicContact CB-CD2 3.99Å; A139-Y223 HydrophobicContact CB-CE2 3.53Å |
| 140 | L | 91.8 | Very high | 87.8 | Confident | 62 Ų | 62 | 44.2 Ų | 44.2 | 33% | 0.325 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.4 | -41.6 | 175.9 | -73.7 | 172.1 | 0 | 0 | 0 | 112.4 | A136 V137 L143 R144 V218 | A136-L140 WeakPolarHBondContact O-CG 3.26Å; A136-L140 PolarHBondContact O-N 3.14Å; V137-L140 PolarHBondContact O-N 3.19Å; L140-L143 PolarHBondContact O-N 3.12Å; L140-R144 WeakPolarHBondContact O-CG 3.44Å; L140-R144 PolarHBondContact O-N 3.32Å; L140-V218 HydrophobicContact CD1-CG1 3.73Å; L140-V218 HydrophobicContact CD2-CG1 4.02Å; L140-V218 HydrophobicContact CG-CG1 3.68Å |
| 141 | H | 87.6 | Confident | 86 | Confident | 70 Ų | 70 | 48.2 Ų | 48.2 | 32% | 0.324 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 175.4 | -178.1 | -105 | 0 | 0 | 0 | 111.5 | F76 V137 R144 M145 | F76-H141 HydrophobicContact CD2-CB 4.42Å; F76-H141 AromaticContact CD2-CE1 3.66Å; F76-H141 AromaticContact CD2-CG 3.9Å; F76-H141 AromaticContact CD2-ND1 3.08Å; F76-H141 WeakPolarHBondContact CD2-ND1 3.29Å; F76-H141 HydrophobicContact CE2-CB 4.39Å; F76-H141 AromaticContact CE2-ND1 3.5Å; F76-H141 WeakPolarHBondContact CE2-ND1 3.42Å; F76-H141 AromaticContact CG-CE1 3.83Å; F76-H141 AromaticContact CG-ND1 3.69Å; V137-H141 WeakPolarHBondContact O-CB 3.27Å; V137-H141 PolarHBondContact O-N 2.93Å; H141-R144 PolarHBondContact O-N 3.05Å; H141-M145 WeakPolarHBondContact ND1-CE 3.48Å; H141-M145 PolarHBondContact O-N 3.44Å |
| 142 | R | 87.8 | Confident | 83.9 | Confident | 48 Ų | 48 | 56.5 Ų | 56.5 | 18% | 0.181 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 174.3 | -72.6 | 174.7 | -176.7 | -112.5 | -1 | 112.4 | F76 I138 A139 M145 V146 I226 | F76-R142 HydrophobicContact CZ-CG 4.24Å; I138-R142 WeakPolarHBondContact O-CG 3.38Å; I138-R142 PolarHBondContact O-N 3.14Å; I138-R142 VanDerWaalsContact O-N 3.09Å; A139-R142 PolarHBondContact O-N 2.86Å; R142-M145 HydrophobicContact CG-CE 4.26Å; R142-M145 PolarHBondContact O-N 2.94Å; R142-V146 WeakPolarHBondContact O-CG2 3.35Å; R142-V146 PolarHBondContact O-N 2.92Å; R142-I226 HydrophobicContact CB-CD1 3.86Å |
| 143 | L | 90.2 | Very high | 82.1 | Confident | 26 Ų | 26 | 67 Ų | 67 | 14% | 0.136 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63 | -48 | 177.8 | 178.8 | 65.5 | 0 | 0 | 0 | 111.5 | A139 L140 M145 V146 L147 M225 I226 | A139-L143 WeakPolarHBondContact O-CB 3.3Å; A139-L143 PolarHBondContact O-N 2.94Å; L140-L143 PolarHBondContact O-N 3.12Å; L143-M145 VanDerWaalsContact C-N 3.34Å; L143-M145 PolarHBondContact O-N 2.93Å; L143-V146 PolarHBondContact O-N 3.19Å; L143-V146 VanDerWaalsContact O-N 3.12Å; L143-L147 HydrophobicContact CD1-CD1 3.93Å; L143-L147 HydrophobicContact CD1-CG 4.06Å; L143-L147 HydrophobicContact CD2-CD1 4.49Å; L143-L147 HydrophobicContact CG-CD1 3.86Å; L143-L147 HydrophobicContact CG-CG 4.35Å; L143-L147 WeakPolarHBondContact O-CG 3.27Å; L143-L147 PolarHBondContact O-N 3.47Å; L143-M225 HydrophobicContact CD1-CB 3.72Å; L143-I226 HydrophobicContact CB-CD1 4.26Å; L143-I226 HydrophobicContact CB-CG1 4.21Å; L143-I226 HydrophobicContact CD1-CG1 3.91Å |
| 144 | R | 86.7 | Confident | 80.3 | Confident | 144 Ų | 144 | 71.8 Ų | 71.8 | 54% | 0.543 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -57 | -45.2 | 178 | -72.1 | 174.8 | -178.4 | 167.4 | 1.7 | 112.1 | L140 H141 L147 G148 Q149 | L140-R144 WeakPolarHBondContact O-CG 3.44Å; L140-R144 PolarHBondContact O-N 3.32Å; H141-R144 PolarHBondContact O-N 3.05Å; R144-L147 PolarHBondContact O-N 3.29Å; R144-G148 PolarHBondContact O-N 3.44Å; R144-Q149 HydrophobicContact CB-CB 4.41Å; R144-Q149 WeakPolarHBondContact O-CB 3.46Å; R144-Q149 PolarHBondContact O-N 3.17Å |
| 145 | M | 83.2 | Confident | 78.7 | Confident | 72 Ų | 72 | 74.2 Ų | 74.2 | 36% | 0.355 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 174.6 | -67.7 | -173.4 | -65.6 | 0 | 0 | 112.5 | H141 R142 L143 L147 G148 | H141-M145 WeakPolarHBondContact ND1-CE 3.48Å; H141-M145 PolarHBondContact O-N 3.44Å; R142-M145 HydrophobicContact CG-CE 4.26Å; R142-M145 PolarHBondContact O-N 2.94Å; L143-M145 VanDerWaalsContact C-N 3.34Å; L143-M145 PolarHBondContact O-N 2.93Å; M145-L147 VanDerWaalsContact C-N 3.31Å; M145-L147 PolarHBondContact O-N 3.37Å; M145-G148 PolarHBondContact O-N 2.77Å |
| 146 | V | 85.3 | Confident | 77.7 | Confident | 48 Ų | 48 | 77.5 Ų | 77.5 | 29% | 0.291 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -69.8 | -26.7 | 179.8 | 169.5 | 0 | 0 | 0 | 0 | 112.8 | R142 L143 G148 I226 T229 | R142-V146 WeakPolarHBondContact O-CG2 3.35Å; R142-V146 PolarHBondContact O-N 2.92Å; L143-V146 PolarHBondContact O-N 3.19Å; L143-V146 VanDerWaalsContact O-N 3.12Å; V146-G148 VanDerWaalsContact C-N 3.25Å; V146-G148 PolarHBondContact O-N 3.34Å; V146-I226 HydrophobicContact CB-CG1 4.41Å; V146-I226 HydrophobicContact CG1-CG2 4.42Å; V146-I226 HydrophobicContact CG2-CG1 4.41Å; V146-I226 HydrophobicContact CG2-CG2 4.22Å; V146-T229 HydrophobicContact CG1-CG2 3.86Å |
| 147 | L | 84.5 | Confident | 76.9 | Confident | 82 Ų | 82 | 82.6 Ų | 82.6 | 43% | 0.429 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 5 | 173.5 | -67.1 | 176.1 | 0 | 0 | 0 | 113.6 | L143 R144 M145 Q149 | L143-L147 HydrophobicContact CD1-CD1 3.93Å; L143-L147 HydrophobicContact CD1-CG 4.06Å; L143-L147 HydrophobicContact CD2-CD1 4.49Å; L143-L147 HydrophobicContact CG-CD1 3.86Å; L143-L147 HydrophobicContact CG-CG 4.35Å; L143-L147 WeakPolarHBondContact O-CG 3.27Å; L143-L147 PolarHBondContact O-N 3.47Å; R144-L147 PolarHBondContact O-N 3.29Å; M145-L147 VanDerWaalsContact C-N 3.31Å; M145-L147 PolarHBondContact O-N 3.37Å; L147-Q149 PolarHBondContact O-N 3.34Å |
| 148 | G | 72.6 | Confident | 76.4 | Confident | 55 Ų | 55 | 86.8 Ų | 86.8 | 57% | 0.567 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | 3.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R144 M145 V146 H150 | R144-G148 PolarHBondContact O-N 3.44Å; M145-G148 PolarHBondContact O-N 2.77Å; V146-G148 VanDerWaalsContact C-N 3.25Å; V146-G148 PolarHBondContact O-N 3.34Å; G148-H150 PolarHBondContact O-N 2.96Å |
| 149 | Q | 72.6 | Confident | 76.1 | Confident | 123 Ų | 123 | 90.3 Ų | 90.3 | 58% | 0.575 | 47% | 0.474 | S | S | * | . | trans | -75.7 | 61.3 | 171.8 | -66.4 | -176.4 | -21.4 | 0 | 0 | 110.3 | R144 L147 P151 | R144-Q149 HydrophobicContact CB-CB 4.41Å; R144-Q149 WeakPolarHBondContact O-CB 3.46Å; R144-Q149 PolarHBondContact O-N 3.17Å; L147-Q149 PolarHBondContact O-N 3.34Å; Q149-P151 WeakPolarHBondContact O-CD 3.37Å | ||
| 150 | H | 60.6 | Low | 75.7 | Confident | 130 Ų | 130 | 91 Ų | 91 | 60% | 0.602 | 48% | 0.479 | S | S | * | . | trans | -64 | 119.9 | 166.1 | -80.7 | -89.1 | 0 | 0 | 0 | 108.4 | G148 N152 | G148-H150 PolarHBondContact O-N 2.96Å; H150-N152 PolarHBondContact O-N 3.37Å | ||
| 151 | P | 57.7 | Low | 75.4 | Confident | 84 Ų | 84 | 91.5 Ų | 91.5 | 55% | 0.545 | 48% | 0.481 | S | S | . | . | trans | -71.4 | 119.5 | 176.6 | 30.6 | -34.1 | 0 | 0 | 0 | 108.5 | Q149 R153 | Q149-P151 WeakPolarHBondContact O-CD 3.37Å; P151-R153 WeakPolarHBondContact CB-O 3.38Å; P151-R153 CarbonylContact O-C 3.58Å; P151-R153 PolarHBondContact O-N 3.3Å | ||
| 152 | N | 51.6 | Low | 75.6 | Confident | 175 Ų | 175 | 90.4 Ų | 90.4 | 94% | 0.936 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -57.7 | -15 | -178.1 | -69.5 | -17.7 | 0 | 0 | 0 | 113.9 | H150 | H150-N152 PolarHBondContact O-N 3.37Š|
| 153 | R | 56.6 | Low | 75.7 | Confident | 223 Ų | 223 | 91.3 Ų | 91.3 | 84% | 0.842 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -113.7 | 122 | 156.8 | -104.4 | 175.4 | 171.8 | 163.9 | -2.2 | 108.2 | P151 A155 | P151-R153 WeakPolarHBondContact CB-O 3.38Å; P151-R153 CarbonylContact O-C 3.58Å; P151-R153 PolarHBondContact O-N 3.3Å; R153-A155 PolarHBondContact O-N 3.38Å |
| 154 | T | 57.7 | Low | 75.8 | Confident | 118 Ų | 118 | 90.3 Ų | 90.3 | 72% | 0.724 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 126.8 | 161.4 | 48.2 | 0 | 0 | 0 | 0 | 108.6 | S156 | T154-S156 PolarHBondContact O-N 3.03Š|
| 155 | A | 61.3 | Low | 76.1 | Confident | 51 Ų | 51 | 86 Ų | 86 | 42% | 0.421 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -51.3 | 134.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | N75 R153 | N75-A155 VanDerWaalsContact CG-O 3.29Å; N75-A155 PolarHBondContact ND2-O 2.84Å; R153-A155 PolarHBondContact O-N 3.38Å |
| 156 | S | 73.1 | Confident | 76.6 | Confident | 73 Ų | 73 | 87.8 Ų | 87.8 | 51% | 0.51 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 144.8 | -178.8 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | T154 L158 C159 T160 | T154-S156 PolarHBondContact O-N 3.03Å; S156-L158 PolarHBondContact O-N 3.21Å; S156-L158 PolarHBondContact OG-N 3.26Å; S156-C159 WeakPolarHBondContact O-CA 3.42Å; S156-C159 VanDerWaalsContact O-CB 3.3Å; S156-C159 WeakPolarHBondContact O-CB 3.47Å; S156-C159 PolarHBondContact O-N 3.11Å; S156-T160 PolarHBondContact O-N 2.81Å; S156-T160 VanDerWaalsContact O-N 3.08Å |
| 157 | F | 77.1 | Confident | 77.1 | Confident | 115 Ų | 115 | 86.4 Ų | 86.4 | 50% | 0.504 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -51.7 | -38.7 | 173 | 177.1 | -104.3 | 0 | 0 | 0 | 111.9 | N75 F78 C159 T160 L161 | N75-F157 WeakPolarHBondContact OD1-CA 3.38Å; N75-F157 WeakPolarHBondContact OD1-CB 3.35Å; N75-F157 PolarHBondContact OD1-N 2.76Å; F78-F157 HydrophobicContact CD2-CE2 4.39Å; F157-C159 VanDerWaalsContact C-N 3.32Å; F157-C159 PolarHBondContact O-N 2.94Å; F157-T160 PolarHBondContact O-N 3.42Å; F157-L161 WeakPolarHBondContact O-CB 3.46Å; F157-L161 PolarHBondContact O-N 2.97Å |
| 158 | L | 82.4 | Confident | 77.6 | Confident | 122 Ų | 122 | 85.9 Ų | 85.9 | 64% | 0.639 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.7 | -34.7 | 175.1 | -176.9 | 62.1 | 0 | 0 | 0 | 112.9 | S156 A162 | S156-L158 PolarHBondContact O-N 3.21Å; S156-L158 PolarHBondContact OG-N 3.26Å; L158-A162 VanDerWaalsContact O-CB 3.24Å; L158-A162 WeakPolarHBondContact O-CB 3.3Å; L158-A162 PolarHBondContact O-N 2.93Å |
| 159 | C | 84.6 | Confident | 78.7 | Confident | 76 Ų | 76 | 87.2 Ų | 87.2 | 51% | 0.514 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -71.4 | -38.6 | 176.4 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | S156 F157 L163 | S156-C159 WeakPolarHBondContact O-CA 3.42Å; S156-C159 VanDerWaalsContact O-CB 3.3Å; S156-C159 WeakPolarHBondContact O-CB 3.47Å; S156-C159 PolarHBondContact O-N 3.11Å; F157-C159 VanDerWaalsContact C-N 3.32Å; F157-C159 PolarHBondContact O-N 2.94Å; C159-L163 WeakPolarHBondContact O-CB 3.28Å; C159-L163 PolarHBondContact O-N 3.36Å |
| 160 | T | 84.7 | Confident | 79.7 | Confident | 14 Ų | 14 | 83.4 Ų | 83.4 | 9% | 0.086 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -69.5 | -40 | 173.7 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | N75 F78 M79 S156 F157 L163 T164 | N75-T160 HydrophobicContact CB-CG2 4.3Å; N75-T160 WeakPolarHBondContact CB-OG1 3.28Å; F78-T160 HydrophobicContact CD1-CG2 4.26Å; M79-T160 HydrophobicContact CG-CG2 3.96Å; M79-T160 HydrophobicContact SD-CG2 3.66Å; S156-T160 PolarHBondContact O-N 2.81Å; S156-T160 VanDerWaalsContact O-N 3.08Å; F157-T160 PolarHBondContact O-N 3.42Å; T160-L163 PolarHBondContact O-N 2.95Å; T160-T164 PolarHBondContact O-N 2.85Å; T160-T164 PolarHBondContact O-OG1 2.96Å |
| 161 | L | 86.6 | Confident | 81.3 | Confident | 73 Ų | 73 | 77.2 Ų | 77.2 | 38% | 0.382 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 173.3 | -177.5 | 63.3 | 0 | 0 | 0 | 111.8 | F78 F157 T164 A165 | F78-L161 HydrophobicContact CE1-CD1 4.03Å; F78-L161 HydrophobicContact CZ-CD1 3.76Å; F157-L161 WeakPolarHBondContact O-CB 3.46Å; F157-L161 PolarHBondContact O-N 2.97Å; L161-T164 PolarHBondContact O-N 3.43Å; L161-A165 WeakPolarHBondContact O-CB 3.39Å; L161-A165 PolarHBondContact O-N 3.12Å |
| 162 | A | 90.3 | Very high | 83.1 | Confident | 47 Ų | 47 | 75.8 Ų | 75.8 | 39% | 0.388 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64 | -41.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L158 A165 L166 | L158-A162 VanDerWaalsContact O-CB 3.24Å; L158-A162 WeakPolarHBondContact O-CB 3.3Å; L158-A162 PolarHBondContact O-N 2.93Å; A162-A165 PolarHBondContact O-N 3.38Å; A162-L166 WeakPolarHBondContact O-CG 3.06Å; A162-L166 PolarHBondContact O-N 3.49Å |
| 163 | L | 91.1 | Very high | 85 | Confident | 66 Ų | 66 | 71.2 Ų | 71.2 | 35% | 0.346 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 172.5 | 178.1 | 62.1 | 0 | 0 | 0 | 111 | V137 C159 T160 A165 L166 L167 | V137-L163 HydrophobicContact CG1-CD2 3.93Å; C159-L163 WeakPolarHBondContact O-CB 3.28Å; C159-L163 PolarHBondContact O-N 3.36Å; T160-L163 PolarHBondContact O-N 2.95Å; L163-A165 VanDerWaalsContact C-N 3.34Å; L163-A165 PolarHBondContact O-N 3.35Å; L163-L166 PolarHBondContact O-N 3.48Å; L163-L167 HydrophobicContact CD1-CG 4.4Å; L163-L167 HydrophobicContact CG-CD1 4.46Å; L163-L167 WeakPolarHBondContact O-CG 3.41Å; L163-L167 PolarHBondContact O-N 3.3Å |
| 164 | T | 91.6 | Very high | 86.6 | Confident | 5 Ų | 5 | 61.9 Ų | 61.9 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.6 | -45.6 | 176.5 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | F78 M79 N82 M130 T160 L161 L166 L167 W168 | F78-T164 HydrophobicContact CE1-CG2 4Å; F78-T164 WeakPolarHBondContact CE1-OG1 3.49Å; M79-T164 PolarHBondContact SD-OG1 2.89Å; M79-T164 VanDerWaalsContact SD-OG1 3.37Å; N82-T164 HydrophobicContact CB-CG2 4.3Å; N82-T164 WeakPolarHBondContact OD1-CG2 3.3Å; M130-T164 HydrophobicContact CE-CG2 4.43Å; T160-T164 PolarHBondContact O-N 2.85Å; T160-T164 PolarHBondContact O-OG1 2.96Å; L161-T164 PolarHBondContact O-N 3.43Å; T164-L166 VanDerWaalsContact C-N 3.34Å; T164-L166 PolarHBondContact O-N 2.81Å; T164-L167 PolarHBondContact O-N 3.35Å; T164-W168 VanDerWaalsContact O-CD1 3.27Å; T164-W168 PolarHBondContact O-N 3.5Å |
| 165 | A | 93.2 | Very high | 88.2 | Confident | 53 Ų | 53 | 56.3 Ų | 56.3 | 44% | 0.438 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L161 A162 L163 W168 T169 | L161-A165 WeakPolarHBondContact O-CB 3.39Å; L161-A165 PolarHBondContact O-N 3.12Å; A162-A165 PolarHBondContact O-N 3.38Å; L163-A165 VanDerWaalsContact C-N 3.34Å; L163-A165 PolarHBondContact O-N 3.35Å; A165-W168 PolarHBondContact O-N 3.43Å; A165-T169 WeakPolarHBondContact O-CG2 3.21Å; A165-T169 PolarHBondContact O-N 2.91Å; A165-T169 PolarHBondContact O-OG1 2.86Å |
| 166 | L | 94 | Very high | 89.6 | Confident | 110 Ų | 110 | 55.6 Ų | 55.6 | 58% | 0.576 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -60.8 | -47.3 | 175.5 | -75.2 | 168.6 | 0 | 0 | 0 | 111.8 | A162 L163 T164 W168 T169 S170 | A162-L166 WeakPolarHBondContact O-CG 3.06Å; A162-L166 PolarHBondContact O-N 3.49Å; L163-L166 PolarHBondContact O-N 3.48Å; T164-L166 VanDerWaalsContact C-N 3.34Å; T164-L166 PolarHBondContact O-N 2.81Å; L166-W168 PolarHBondContact O-N 2.89Å; L166-T169 WeakPolarHBondContact CA-OG1 3.46Å; L166-T169 CarbonylContact O-C 3.57Å; L166-T169 PolarHBondContact O-N 3.35Å; L166-T169 VanDerWaalsContact O-N 3.08Å; L166-T169 PolarHBondContact O-OG1 3.49Å; L166-S170 PolarHBondContact O-N 3.1Å; L166-S170 PolarHBondContact O-OG 3.27Å |
| 167 | L | 94.6 | Very high | 90.3 | Very high | 20 Ų | 20 | 55.8 Ų | 55.8 | 11% | 0.105 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 176.1 | -63.1 | 179.4 | 0 | 0 | 0 | 111.9 | M79 M130 E133 V137 L163 T164 T169 S170 S171 | M79-L167 HydrophobicContact CE-CD1 4.14Å; M130-L167 HydrophobicContact CE-CB 3.63Å; M130-L167 HydrophobicContact CE-CD1 4.5Å; M130-L167 HydrophobicContact SD-CB 3.73Å; E133-L167 HydrophobicContact CB-CD1 4.42Å; E133-L167 HydrophobicContact CB-CD2 4.07Å; E133-L167 HydrophobicContact CG-CD2 4.27Å; E133-L167 WeakPolarHBondContact OE2-CA 3.49Å; E133-L167 WeakPolarHBondContact OE2-CB 3.48Å; E133-L167 VanDerWaalsContact OE2-O 3.09Å; V137-L167 HydrophobicContact CG2-CD1 4.12Å; L163-L167 HydrophobicContact CD1-CG 4.4Å; L163-L167 HydrophobicContact CG-CD1 4.46Å; L163-L167 WeakPolarHBondContact O-CG 3.41Å; L163-L167 PolarHBondContact O-N 3.3Å; T164-L167 PolarHBondContact O-N 3.35Å; L167-T169 VanDerWaalsContact C-N 3.27Å; L167-T169 PolarHBondContact O-N 2.92Å; L167-S170 WeakPolarHBondContact CA-OG 3.38Å; L167-S170 PolarHBondContact O-N 3.37Å; L167-S170 PolarHBondContact O-OG 3.4Å; L167-S171 WeakPolarHBondContact O-CB 3.48Å; L167-S171 PolarHBondContact O-N 2.92Å; L167-S171 PolarHBondContact O-OG 3.36Å |
| 168 | W | 95.9 | Very high | 90.7 | Very high | 71 Ų | 71 | 50.7 Ų | 50.7 | 27% | 0.269 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.2 | -40.6 | 173.1 | -88 | 92 | 0 | 0 | 0 | 111.6 | N82 F85 F127 M130 T164 A165 L166 F172 | N82-W168 PolarHBondContact OD1-NE1 3.28Å; F85-W168 HydrophobicContact CD1-CH2 4.31Å; F85-W168 AromaticContact CD1-CZ2 3.99Å; F85-W168 HydrophobicContact CD1-CZ2 3.99Å; F85-W168 AromaticContact CE1-CH2 3.9Å; F85-W168 HydrophobicContact CE1-CH2 3.9Å; F85-W168 AromaticContact CE1-CZ2 3.97Å; F85-W168 HydrophobicContact CE1-CZ2 3.97Å; F127-W168 HydrophobicContact CD1-CH2 4.45Å; F127-W168 AromaticContact CE1-CH2 3.59Å; F127-W168 HydrophobicContact CE1-CH2 3.59Å; F127-W168 HydrophobicContact CE1-CZ3 4.18Å; F127-W168 HydrophobicContact CZ-CH2 4.01Å; F127-W168 HydrophobicContact CZ-CZ3 4.29Å; M130-W168 HydrophobicContact CE-CD2 4.48Å; M130-W168 HydrophobicContact CE-CG 3.94Å; M130-W168 HydrophobicContact SD-CB 4.44Å; M130-W168 HydrophobicContact SD-CD2 4.43Å; M130-W168 HydrophobicContact SD-CG 4.06Å; M130-W168 PolarHBondContact SD-N 3.3Å; M130-W168 VanDerWaalsContact SD-N 3.44Å; T164-W168 VanDerWaalsContact O-CD1 3.27Å; T164-W168 PolarHBondContact O-N 3.5Å; A165-W168 PolarHBondContact O-N 3.43Å; L166-W168 PolarHBondContact O-N 2.89Å; W168-F172 HydrophobicContact CD2-CE2 4.5Å; W168-F172 AromaticContact CE3-CD2 3.68Å; W168-F172 HydrophobicContact CE3-CD2 3.68Å; W168-F172 AromaticContact CE3-CE2 3.41Å; W168-F172 HydrophobicContact CE3-CE2 3.41Å; W168-F172 VanDerWaalsContact CE3-CE2 3.41Å; W168-F172 HydrophobicContact CE3-CZ 4.31Å; W168-F172 HydrophobicContact CH2-CE2 4.35Å; W168-F172 HydrophobicContact CZ3-CD2 4.06Å; W168-F172 AromaticContact CZ3-CE2 3.33Å; W168-F172 HydrophobicContact CZ3-CE2 3.33Å; W168-F172 AromaticContact CZ3-CZ 3.82Å; W168-F172 HydrophobicContact CZ3-CZ 3.82Å; W168-F172 WeakPolarHBondContact O-CB 3.45Å; W168-F172 WeakPolarHBondContact O-CD2 3.32Å; W168-F172 PolarHBondContact O-N 3.37Å; W168-F172 VanDerWaalsContact O-N 3.08Å |
| 169 | T | 95.1 | Very high | 90.8 | Very high | 82 Ų | 82 | 45.1 Ų | 45.1 | 50% | 0.503 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -72.7 | -38.9 | 177.6 | 55.5 | 0 | 0 | 0 | 0 | 114 | A165 L166 L167 T173 | A165-T169 WeakPolarHBondContact O-CG2 3.21Å; A165-T169 PolarHBondContact O-N 2.91Å; A165-T169 PolarHBondContact O-OG1 2.86Å; L166-T169 WeakPolarHBondContact CA-OG1 3.46Å; L166-T169 CarbonylContact O-C 3.57Å; L166-T169 PolarHBondContact O-N 3.35Å; L166-T169 VanDerWaalsContact O-N 3.08Å; L166-T169 PolarHBondContact O-OG1 3.49Å; L167-T169 VanDerWaalsContact C-N 3.27Å; L167-T169 PolarHBondContact O-N 2.92Å; T169-T173 WeakPolarHBondContact O-CB 3.26Å; T169-T173 PolarHBondContact O-N 3.09Å; T169-T173 PolarHBondContact O-OG1 3.46Å |
| 170 | S | 93.5 | Very high | 90.6 | Very high | 43 Ų | 43 | 47.9 Ų | 47.9 | 30% | 0.301 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.1 | -53.3 | 174.2 | 45.8 | 0 | 0 | 0 | 0 | 110.2 | E133 L166 L167 F172 T173 M174 | E133-S170 PolarHBondContact OE1-OG 3.05Å; E133-S170 PolarHBondContact OE2-OG 3.46Å; L166-S170 PolarHBondContact O-N 3.1Å; L166-S170 PolarHBondContact O-OG 3.27Å; L167-S170 WeakPolarHBondContact CA-OG 3.38Å; L167-S170 PolarHBondContact O-N 3.37Å; L167-S170 PolarHBondContact O-OG 3.4Å; S170-F172 PolarHBondContact O-N 3.4Å; S170-T173 PolarHBondContact O-N 3.26Å; S170-M174 WeakPolarHBondContact O-CB 3.44Å; S170-M174 WeakPolarHBondContact O-CG 3.34Å; S170-M174 PolarHBondContact O-N 2.9Å |
| 171 | S | 94.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -53.2 | -52.7 | 179.9 | -78.3 | 0 | 0 | 0 | 0 | 113.2 | I129 M130 E133 L167 M174 A175 | I129-S171 WeakPolarHBondContact CG2-OG 3.44Å; M130-S171 WeakPolarHBondContact CA-OG 3.49Å; M130-S171 WeakPolarHBondContact CB-OG 3.46Å; M130-S171 PolarHBondContact N-OG 3.06Å; M130-S171 VanDerWaalsContact N-OG 3.07Å; E133-S171 PolarHBondContact OE2-OG 3.43Å; L167-S171 WeakPolarHBondContact O-CB 3.48Å; L167-S171 PolarHBondContact O-N 2.92Å; L167-S171 PolarHBondContact O-OG 3.36Å; S171-M174 PolarHBondContact O-N 3.19Å; S171-A175 VanDerWaalsContact O-CB 3.31Å; S171-A175 WeakPolarHBondContact O-CB 3.37Å; S171-A175 PolarHBondContact O-N 3.23Å |
| 172 | F | 94.2 | Very high | 89 | Confident | 54 Ų | 54 | 50.9 Ų | 50.9 | 24% | 0.237 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -77.9 | -25.1 | -178.1 | -80.9 | -94.8 | 0 | 0 | 0 | 113.6 | F127 W168 S170 A176 | F127-F172 AromaticContact CD2-CZ 3.84Å; F127-F172 HydrophobicContact CD2-CZ 3.84Å; F127-F172 HydrophobicContact CE1-CZ 4.5Å; F127-F172 HydrophobicContact CE2-CE1 4.39Å; F127-F172 AromaticContact CE2-CZ 3.73Å; F127-F172 HydrophobicContact CE2-CZ 3.73Å; F127-F172 HydrophobicContact CG-CZ 4.27Å; F127-F172 HydrophobicContact CZ-CZ 4.09Å; W168-F172 HydrophobicContact CD2-CE2 4.5Å; W168-F172 AromaticContact CE3-CD2 3.68Å; W168-F172 HydrophobicContact CE3-CD2 3.68Å; W168-F172 AromaticContact CE3-CE2 3.41Å; W168-F172 HydrophobicContact CE3-CE2 3.41Å; W168-F172 VanDerWaalsContact CE3-CE2 3.41Å; W168-F172 HydrophobicContact CE3-CZ 4.31Å; W168-F172 HydrophobicContact CH2-CE2 4.35Å; W168-F172 HydrophobicContact CZ3-CD2 4.06Å; W168-F172 AromaticContact CZ3-CE2 3.33Å; W168-F172 HydrophobicContact CZ3-CE2 3.33Å; W168-F172 AromaticContact CZ3-CZ 3.82Å; W168-F172 HydrophobicContact CZ3-CZ 3.82Å; W168-F172 WeakPolarHBondContact O-CB 3.45Å; W168-F172 WeakPolarHBondContact O-CD2 3.32Å; W168-F172 PolarHBondContact O-N 3.37Å; W168-F172 VanDerWaalsContact O-N 3.08Å; S170-F172 PolarHBondContact O-N 3.4Å; F172-A176 WeakPolarHBondContact O-CB 3.19Å; F172-A176 PolarHBondContact O-N 3.44Å |
| 173 | T | 93.1 | Very high | 87.5 | Confident | 80 Ų | 80 | 52.4 Ų | 52.4 | 49% | 0.491 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.3 | -44.4 | 170 | -58.9 | 0 | 0 | 0 | 0 | 110.6 | T169 S170 A176 L177 | T169-T173 WeakPolarHBondContact O-CB 3.26Å; T169-T173 PolarHBondContact O-N 3.09Å; T169-T173 PolarHBondContact O-OG1 3.46Å; S170-T173 PolarHBondContact O-N 3.26Å; T173-A176 PolarHBondContact O-N 2.96Å; T173-L177 HydrophobicContact CG2-CD1 3.99Å; T173-L177 HydrophobicContact CG2-CG 4.4Å; T173-L177 WeakPolarHBondContact O-CB 3.48Å; T173-L177 VanDerWaalsContact O-CG 3.27Å; T173-L177 WeakPolarHBondContact O-CG 3.3Å; T173-L177 PolarHBondContact O-N 2.86Å |
| 174 | M | 89.9 | Confident | 85.7 | Confident | 27 Ų | 27 | 52.2 Ų | 52.2 | 13% | 0.133 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 175.3 | -76.7 | -56.7 | -58 | 0 | 0 | 112 | S170 S171 L177 L178 V207 | S170-M174 WeakPolarHBondContact O-CB 3.44Å; S170-M174 WeakPolarHBondContact O-CG 3.34Å; S170-M174 PolarHBondContact O-N 2.9Å; S171-M174 PolarHBondContact O-N 3.19Å; M174-L177 PolarHBondContact O-N 2.85Å; M174-L178 VanDerWaalsContact O-CB 3.23Å; M174-L178 WeakPolarHBondContact O-CB 3.41Å; M174-L178 PolarHBondContact O-N 2.65Å; M174-V207 HydrophobicContact CE-CB 3.96Å; M174-V207 HydrophobicContact CE-CG1 3.6Å; M174-V207 HydrophobicContact SD-CG1 3.93Å |
| 175 | A | 91.1 | Very high | 83.7 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | L122 S125 G126 S171 T179 | L122-A175 HydrophobicContact CD1-CB 4.01Å; S125-A175 VanDerWaalsContact OG-CB 3.27Å; S125-A175 WeakPolarHBondContact OG-CB 3.37Å; G126-A175 VanDerWaalsContact CA-CB 3.46Å; S171-A175 VanDerWaalsContact O-CB 3.31Å; S171-A175 WeakPolarHBondContact O-CB 3.37Å; S171-A175 PolarHBondContact O-N 3.23Å; A175-T179 VanDerWaalsContact O-CB 3.27Å; A175-T179 WeakPolarHBondContact O-CB 3.19Å; A175-T179 PolarHBondContact O-N 3.44Å; A175-T179 PolarHBondContact O-OG1 3.09Å |
| 176 | A | 90.4 | Very high | 81.4 | Confident | 37 Ų | 37 | 72 Ų | 72 | 31% | 0.306 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.4 | -43.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L122 F172 T173 M180 | L122-A176 HydrophobicContact CD1-CB 4.07Å; F172-A176 WeakPolarHBondContact O-CB 3.19Å; F172-A176 PolarHBondContact O-N 3.44Å; T173-A176 PolarHBondContact O-N 2.96Å; A176-M180 WeakPolarHBondContact O-CB 3.3Å; A176-M180 WeakPolarHBondContact O-CG 3.36Å; A176-M180 PolarHBondContact O-N 3.27Å |
| 177 | L | 88.6 | Confident | 79.3 | Confident | 77 Ų | 77 | 72.8 Ų | 72.8 | 40% | 0.403 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 174.5 | -73.5 | 171.7 | 0 | 0 | 0 | 111.5 | T173 M174 R181 V204 | T173-L177 HydrophobicContact CG2-CD1 3.99Å; T173-L177 HydrophobicContact CG2-CG 4.4Å; T173-L177 WeakPolarHBondContact O-CB 3.48Å; T173-L177 VanDerWaalsContact O-CG 3.27Å; T173-L177 WeakPolarHBondContact O-CG 3.3Å; T173-L177 PolarHBondContact O-N 2.86Å; M174-L177 PolarHBondContact O-N 2.85Å; L177-R181 VanDerWaalsContact O-CB 3.3Å; L177-R181 WeakPolarHBondContact O-CB 3.41Å; L177-R181 WeakPolarHBondContact O-CG 3.4Å; L177-R181 PolarHBondContact O-N 3.31Å; L177-R181 VanDerWaalsContact O-N 3.11Å; L177-V204 HydrophobicContact CB-CG1 3.89Å |
| 178 | L | 85.3 | Confident | 77.4 | Confident | 8 Ų | 8 | 74.4 Ų | 74.4 | 4% | 0.042 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.6 | -51.5 | 177.9 | 179.3 | 62.9 | 0 | 0 | 0 | 110.3 | M174 R181 A182 F194 V204 L205 Y208 | M174-L178 VanDerWaalsContact O-CB 3.23Å; M174-L178 WeakPolarHBondContact O-CB 3.41Å; M174-L178 PolarHBondContact O-N 2.65Å; L178-R181 PolarHBondContact O-N 2.64Å; L178-A182 HydrophobicContact CD1-CB 4.41Å; L178-A182 WeakPolarHBondContact O-CB 3.3Å; L178-A182 PolarHBondContact O-N 3.41Å; L178-F194 HydrophobicContact CD1-CE1 4.15Å; L178-F194 HydrophobicContact CD2-CE1 4.35Å; L178-F194 HydrophobicContact CG-CE1 4.44Å; L178-V204 HydrophobicContact CB-CG1 4.24Å; L178-L205 HydrophobicContact CD1-CB 4.49Å; L178-L205 HydrophobicContact CD1-CD1 3.9Å; L178-Y208 HydrophobicContact CD2-CD1 3.9Å; L178-Y208 HydrophobicContact CD2-CD2 4.04Å; L178-Y208 HydrophobicContact CD2-CE1 4.04Å; L178-Y208 HydrophobicContact CD2-CE2 4.18Å; L178-Y208 HydrophobicContact CD2-CG 3.89Å |
| 179 | T | 83.4 | Confident | 75.8 | Confident | 5 Ų | 5 | 74.4 Ų | 74.4 | 3% | 0.031 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.4 | -53 | 179.4 | -52.8 | 0 | 0 | 0 | 0 | 110.6 | F118 H121 L122 A175 R181 A182 Y183 | F118-T179 HydrophobicContact CD2-CG2 3.49Å; F118-T179 VanDerWaalsContact CD2-CG2 3.49Å; F118-T179 HydrophobicContact CE2-CG2 3.58Å; F118-T179 HydrophobicContact CG-CG2 4.1Å; F118-T179 HydrophobicContact CZ-CG2 4.25Å; H121-T179 HydrophobicContact CB-CG2 3.95Å; L122-T179 WeakPolarHBondContact CA-OG1 3.28Å; L122-T179 PolarHBondContact N-OG1 3.46Å; A175-T179 VanDerWaalsContact O-CB 3.27Å; A175-T179 WeakPolarHBondContact O-CB 3.19Å; A175-T179 PolarHBondContact O-N 3.44Å; A175-T179 PolarHBondContact O-OG1 3.09Å; T179-R181 PolarHBondContact O-N 2.72Å; T179-A182 PolarHBondContact O-N 3.19Å; T179-Y183 WeakPolarHBondContact O-CB 3.29Å; T179-Y183 PolarHBondContact O-N 2.88Å |
| 180 | M | 81.3 | Confident | 74.5 | Confident | 133 Ų | 133 | 70.8 Ų | 70.8 | 66% | 0.655 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61.2 | -17.9 | -179.4 | -71.1 | -78.7 | -74.2 | 0 | 0 | 114.7 | F118 A176 | F118-M180 HydrophobicContact CE2-CG 4.42Å; F118-M180 HydrophobicContact CE2-SD 4.02Å; F118-M180 HydrophobicContact CZ-SD 4.31Å; A176-M180 WeakPolarHBondContact O-CB 3.3Å; A176-M180 WeakPolarHBondContact O-CG 3.36Å; A176-M180 PolarHBondContact O-N 3.27Å |
| 181 | R | 74.4 | Confident | 73.1 | Confident | 116 Ų | 116 | 69.2 Ų | 69.2 | 44% | 0.438 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -108.8 | -27.8 | -179.1 | -63.2 | -57.4 | -162.6 | 136 | 9.5 | 114.3 | L177 L178 T179 A201 V204 | L177-R181 VanDerWaalsContact O-CB 3.3Å; L177-R181 WeakPolarHBondContact O-CB 3.41Å; L177-R181 WeakPolarHBondContact O-CG 3.4Å; L177-R181 PolarHBondContact O-N 3.31Å; L177-R181 VanDerWaalsContact O-N 3.11Å; L178-R181 PolarHBondContact O-N 2.64Å; T179-R181 PolarHBondContact O-N 2.72Å; R181-A201 HydrophobicContact CB-CB 4.01Å; R181-A201 VanDerWaalsContact O-CB 3.27Å; R181-A201 WeakPolarHBondContact O-CB 3.17Å; R181-V204 HydrophobicContact CG-CG2 4.17Å |
| 182 | A | 62.6 | Low | 71.1 | Confident | 35 Ų | 35 | 69.5 Ų | 69.5 | 29% | 0.289 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -89.5 | -19.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L178 T179 F194 | L178-A182 HydrophobicContact CD1-CB 4.41Å; L178-A182 WeakPolarHBondContact O-CB 3.3Å; L178-A182 PolarHBondContact O-N 3.41Å; T179-A182 PolarHBondContact O-N 3.19Å; A182-F194 HydrophobicContact CB-CD1 4.17Å; A182-F194 HydrophobicContact CB-CE1 4.48Å |
| 183 | Y | 58.3 | Low | 69.1 | Low | 78 Ų | 78 | 71 Ų | 71 | 31% | 0.306 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -53 | 120.2 | 179.4 | -171.9 | -89.3 | 0 | 0 | 0 | 111.1 | K114 F118 T179 R185 | K114-Y183 VanDerWaalsContact CB-OH 3.22Å; K114-Y183 WeakPolarHBondContact CB-OH 3.26Å; K114-Y183 WeakPolarHBondContact CG-OH 3.42Å; F118-Y183 HydrophobicContact CB-CD2 4.41Å; F118-Y183 HydrophobicContact CB-CE2 4.06Å; F118-Y183 HydrophobicContact CD2-CD2 4.08Å; F118-Y183 HydrophobicContact CD2-CE2 4.39Å; T179-Y183 WeakPolarHBondContact O-CB 3.29Å; T179-Y183 PolarHBondContact O-N 2.88Å; Y183-R185 PolarHBondContact O-N 2.88Å |
| 184 | P | 54.3 | Low | 67.2 | Low | 62 Ų | 62 | 68.1 Ų | 68.1 | 40% | 0.403 | 34% | 0.338 | S | S | . | . | trans | -67.2 | 127.6 | -172.8 | 25.9 | -33.7 | 0 | 0 | 0 | 110.6 | R186 | P184-R186 PolarHBondContact O-N 3.5Å; P184-R186 VanDerWaalsContact O-N 3.13Å | ||
| 185 | R | 49.4 | Very low | 65.3 | Low | 259 Ų | 259 | 69.3 Ų | 69.3 | 98% | 0.977 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -79.2 | 17.2 | 174.9 | -141.1 | -178 | -165.8 | -170.9 | 3.8 | 112.9 | Y183 | Y183-R185 PolarHBondContact O-N 2.88Š|
| 186 | R | 45.7 | Very low | 63.5 | Low | 215 Ų | 215 | 70.1 Ų | 70.1 | 81% | 0.811 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -139 | 151.9 | -178.7 | -94.2 | -175.1 | 167.9 | 173.3 | -4.4 | 108.4 | P184 | P184-R186 PolarHBondContact O-N 3.5Å; P184-R186 VanDerWaalsContact O-N 3.13Å |
| 187 | D | 48.5 | Very low | 61.6 | Low | 127 Ų | 127 | 72.5 Ų | 72.5 | 68% | 0.679 | 39% | 0.389 | S | S | * | . | trans | -66.7 | 134.8 | 170.3 | -52.4 | -78.9 | 0 | 0 | 0 | 110.2 | K114 | K114-D187 WeakPolarHBondContact CE-OD1 3.04Å; K114-D187 IonicContact NZ-OD1 2.64Å; K114-D187 PolarHBondContact NZ-OD1 3.3Å | ||
| 188 | G | 55.8 | Low | 60.3 | Low | 53 Ų | 53 | 71.5 Ų | 71.5 | 55% | 0.546 | 39% | 0.388 | S | S | . | . | trans | 177.6 | 173.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 189 | P | 61.9 | Low | 59.5 | Low | 71 Ų | 71 | 73.6 Ų | 73.6 | 46% | 0.461 | 41% | 0.412 | S | S | . | . | trans | -64.5 | 149.6 | -175.2 | 27.8 | -36.4 | 0 | 0 | 0 | 112.5 | D105 L191 | D105-P189 VanDerWaalsContact CG-CB 3.49Å; D105-P189 WeakPolarHBondContact OD1-CA 3.27Å; D105-P189 WeakPolarHBondContact OD1-CB 3.33Å; D105-P189 WeakPolarHBondContact OD2-CB 3.31Å; P189-L191 HydrophobicContact CB-CD1 4.42Å; P189-L191 PolarHBondContact O-N 3.34Å | ||
| 190 | C | 68.4 | Low | 59 | Low | 6 Ų | 6 | 78.9 Ų | 78.9 | 4% | 0.041 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -84.9 | 20.5 | -179.5 | -81.4 | 0 | 0 | 0 | 0 | 114.2 | V101 D105 V112 C117 | V101-C190 HydrophobicContact CG1-CB 4.25Å; D105-C190 PolarHBondContact OD1-N 3.48Å; D105-C190 VanDerWaalsContact OD1-N 3.07Å; V112-C190 HydrophobicContact CB-CB 3.87Å; V112-C190 HydrophobicContact CG1-CB 4.13Å; V112-C190 HydrophobicContact CG2-CB 4.48Å; C117-C190 HydrophobicContact CB-CB 4.14Å; C117-C190 WeakPolarHBondContact CB-SG 3.42Å; C117-C190 WeakPolarHBondContact SG-CA 3.47Å; C117-C190 WeakPolarHBondContact SG-CB 3.2Å; C117-C190 CovalentContact SG-SG 2.04Å; C117-C190 PolarHBondContact SG-SG 2.98Å |
| 191 | L | 62.7 | Low | 58.6 | Low | 11 Ų | 11 | 72.8 Ų | 72.8 | 6% | 0.058 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -81.1 | 154.9 | 168.6 | -78.5 | 122 | 0 | 0 | 0 | 110.8 | V101 L102 D105 P189 H193 Y360 L364 | V101-L191 HydrophobicContact CG1-CD1 4.31Å; V101-L191 HydrophobicContact CG1-CG 3.99Å; L102-L191 HydrophobicContact CD2-CD2 4.22Å; D105-L191 HydrophobicContact CB-CD1 3.96Å; D105-L191 VanDerWaalsContact OD2-CD1 3.3Å; D105-L191 WeakPolarHBondContact OD2-CD1 3.24Å; P189-L191 HydrophobicContact CB-CD1 4.42Å; P189-L191 PolarHBondContact O-N 3.34Å; L191-H193 PolarHBondContact O-N 2.92Å; L191-Y360 HydrophobicContact CB-CE2 4.26Å; L191-Y360 HydrophobicContact CD1-CE2 4.11Å; L191-Y360 WeakPolarHBondContact CD1-OH 3.19Å; L191-Y360 HydrophobicContact CD2-CE2 3.86Å; L191-Y360 HydrophobicContact CG-CE2 4.27Å; L191-L364 HydrophobicContact CD2-CD2 3.43Å; L191-L364 VanDerWaalsContact CD2-CD2 3.43Å; L191-L364 HydrophobicContact CD2-CG 4.43Å |
| 192 | P | 53.2 | Low | 58.9 | Low | 6 Ų | 6 | 72.2 Ų | 72.2 | 4% | 0.039 | 41% | 0.405 | C | S | . | . | trans | -74 | 43 | -171.7 | 28.9 | -33 | 0 | 0 | 0 | 114.1 | F194 E363 F367 | P192-F194 VanDerWaalsContact C-N 3.33Å; P192-F194 HydrophobicContact CB-CE2 3.9Å; P192-F194 HydrophobicContact CB-CZ 4.14Å; P192-F194 WeakPolarHBondContact O-CD2 3.36Å; P192-F194 WeakPolarHBondContact O-CE2 3.46Å; P192-F194 WeakPolarHBondContact O-CG 3.21Å; P192-F194 PolarHBondContact O-N 3.04Å; P192-E363 VanDerWaalsContact O-OE1 3.04Å; P192-F367 HydrophobicContact CB-CE1 4.41Å; P192-F367 HydrophobicContact CB-CE2 3.7Å; P192-F367 HydrophobicContact CB-CZ 3.53Å; P192-F367 HydrophobicContact CG-CD2 3.7Å; P192-F367 HydrophobicContact CG-CE1 4.13Å; P192-F367 HydrophobicContact CG-CE2 3.13Å; P192-F367 HydrophobicContact CG-CG 4.4Å; P192-F367 HydrophobicContact CG-CZ 3.37Å | ||
| 193 | H | 53.7 | Low | 59.9 | Low | 85 Ų | 85 | 74.9 Ų | 74.9 | 39% | 0.394 | 42% | 0.417 | S | S | . | . | trans | -62.5 | 91.1 | 177.7 | -147.4 | 101.7 | 0 | 0 | 0 | 109.9 | L191 G195 S355 | L191-H193 PolarHBondContact O-N 2.92Å; H193-G195 PolarHBondContact O-N 3.39Å; H193-S355 WeakPolarHBondContact CE1-CB 3.48Å; H193-S355 PolarHBondContact CE1-OG 3.26Å; H193-S355 VanDerWaalsContact NE2-CB 3.31Å; H193-S355 WeakPolarHBondContact NE2-CB 3.3Å; H193-S355 PolarHBondContact NE2-OG 3.1Å; H193-S355 VanDerWaalsContact NE2-OG 3.11Å | ||
| 194 | F | 52.9 | Low | 61.2 | Low | 20 Ų | 20 | 72.2 Ų | 72.2 | 9% | 0.088 | 41% | 0.409 | C | S | . | . | trans | -72.8 | 44.1 | -179.9 | -63.4 | -75.3 | 0 | 0 | 0 | 111.4 | L178 A182 P192 L196 L205 L346 D349 F367 | L178-F194 HydrophobicContact CD1-CE1 4.15Å; L178-F194 HydrophobicContact CD2-CE1 4.35Å; L178-F194 HydrophobicContact CG-CE1 4.44Å; A182-F194 HydrophobicContact CB-CD1 4.17Å; A182-F194 HydrophobicContact CB-CE1 4.48Å; P192-F194 VanDerWaalsContact C-N 3.33Å; P192-F194 HydrophobicContact CB-CE2 3.9Å; P192-F194 HydrophobicContact CB-CZ 4.14Å; P192-F194 WeakPolarHBondContact O-CD2 3.36Å; P192-F194 WeakPolarHBondContact O-CE2 3.46Å; P192-F194 WeakPolarHBondContact O-CG 3.21Å; P192-F194 PolarHBondContact O-N 3.04Å; F194-L196 WeakPolarHBondContact O-CD1 3.25Å; F194-L196 WeakPolarHBondContact O-CG 3.27Å; F194-L196 PolarHBondContact O-N 3.49Å; F194-L205 HydrophobicContact CB-CD2 4.11Å; F194-L205 HydrophobicContact CD1-CD1 4.15Å; F194-L205 HydrophobicContact CE1-CD1 4.33Å; F194-L205 HydrophobicContact CG-CD1 4.5Å; F194-L205 HydrophobicContact CG-CD2 4.41Å; F194-L346 HydrophobicContact CD2-CD2 4.04Å; F194-L346 HydrophobicContact CE2-CD2 3.56Å; F194-L346 HydrophobicContact CZ-CD2 3.95Å; F194-D349 HydrophobicContact CB-CB 3.93Å; F194-F367 HydrophobicContact CE2-CZ 4.33Å | ||
| 195 | G | 50.3 | Low | 62.6 | Low | 51 Ų | 51 | 69.3 Ų | 69.3 | 53% | 0.526 | 39% | 0.39 | S | S | . | . | trans | -71.5 | 82.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | H193 G197 | H193-G195 PolarHBondContact O-N 3.39Å; G195-G197 PolarHBondContact O-N 3.44Å | ||
| 196 | L | 51.7 | Low | 64.5 | Low | 18 Ų | 18 | 62.7 Ų | 62.7 | 9% | 0.094 | 37% | 0.366 | C | S | . | . | trans | -72.6 | 93.6 | -164.6 | -60 | 123.3 | 0 | 0 | 0 | 114 | F194 S198 A201 R202 L205 | F194-L196 WeakPolarHBondContact O-CD1 3.25Å; F194-L196 WeakPolarHBondContact O-CG 3.27Å; F194-L196 PolarHBondContact O-N 3.49Å; L196-S198 PolarHBondContact O-N 3.24Å; L196-A201 VanDerWaalsContact CD2-C 3.47Å; L196-A201 HydrophobicContact CD2-CB 3.75Å; L196-R202 HydrophobicContact CB-CG 3.76Å; L196-R202 HydrophobicContact CD1-CG 4.17Å; L196-R202 HydrophobicContact CD2-CG 3.97Å; L196-R202 HydrophobicContact CG-CG 4.17Å; L196-R202 PolarHBondContact O-NH2 3.32Å; L196-L205 HydrophobicContact CD1-CD2 3.6Å; L196-L205 HydrophobicContact CD2-CB 4.28Å; L196-L205 HydrophobicContact CD2-CD2 3.99Å; L196-L205 HydrophobicContact CG-CD2 4.3Å | ||
| 197 | G | 50.6 | Low | 66.7 | Low | 86 Ų | 86 | 56.1 Ų | 56.1 | 89% | 0.887 | 35% | 0.349 | S | S | * | . | trans | -73.4 | 7.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | G195 | G195-G197 PolarHBondContact O-N 3.44Š| ||
| 198 | S | 62.1 | Low | 68.7 | Low | 56 Ų | 56 | 50.4 Ų | 50.4 | 39% | 0.392 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -148.8 | 137.5 | 178.6 | 178.6 | 0 | 0 | 0 | 0 | 112.6 | L196 Q200 A201 R202 | L196-S198 PolarHBondContact O-N 3.24Å; S198-Q200 VanDerWaalsContact C-N 3.32Å; S198-Q200 PolarHBondContact O-N 2.87Å; S198-Q200 PolarHBondContact OG-N 3.24Å; S198-A201 WeakPolarHBondContact O-CB 3.28Å; S198-A201 PolarHBondContact O-N 2.98Å; S198-R202 PolarHBondContact O-N 3.03Å |
| 199 | G | 68.3 | Low | 70.4 | Confident | 52 Ų | 52 | 49.3 Ų | 49.3 | 54% | 0.536 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.2 | -34.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A201 R202 V203 | G199-A201 VanDerWaalsContact C-N 3.3Å; G199-A201 PolarHBondContact O-N 3.23Å; G199-R202 WeakPolarHBondContact O-CB 3.22Å; G199-R202 PolarHBondContact O-N 3.15Å; G199-V203 PolarHBondContact O-N 2.99Å |
| 200 | Q | 72.8 | Confident | 71.9 | Confident | 117 Ų | 117 | 48.9 Ų | 48.9 | 55% | 0.547 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.8 | -30.4 | 176.7 | -70.9 | -173.2 | -7.8 | 0 | 0 | 112.4 | S198 R202 V203 V204 | S198-Q200 VanDerWaalsContact C-N 3.32Å; S198-Q200 PolarHBondContact O-N 2.87Å; S198-Q200 PolarHBondContact OG-N 3.24Å; Q200-R202 VanDerWaalsContact C-N 3.35Å; Q200-V203 PolarHBondContact O-N 2.95Å; Q200-V204 PolarHBondContact O-N 3.27Å |
| 201 | A | 74.2 | Confident | 73.1 | Confident | 4 Ų | 4 | 50.3 Ų | 50.3 | 3% | 0.033 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.6 | -34.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R181 L196 S198 G199 V203 V204 L205 | R181-A201 HydrophobicContact CB-CB 4.01Å; R181-A201 VanDerWaalsContact O-CB 3.27Å; R181-A201 WeakPolarHBondContact O-CB 3.17Å; L196-A201 VanDerWaalsContact CD2-C 3.47Å; L196-A201 HydrophobicContact CD2-CB 3.75Å; S198-A201 WeakPolarHBondContact O-CB 3.28Å; S198-A201 PolarHBondContact O-N 2.98Å; G199-A201 VanDerWaalsContact C-N 3.3Å; G199-A201 PolarHBondContact O-N 3.23Å; A201-V203 PolarHBondContact O-N 3.41Å; A201-V204 PolarHBondContact O-N 2.85Å; A201-L205 PolarHBondContact O-N 2.95Å |
| 202 | R | 78.9 | Confident | 74.6 | Confident | 104 Ų | 104 | 50.1 Ų | 50.1 | 39% | 0.392 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 174.8 | -61.4 | -173.8 | -175.8 | -171.2 | 0.4 | 111.6 | L196 S198 G199 Q200 V204 L205 Y206 | L196-R202 HydrophobicContact CB-CG 3.76Å; L196-R202 HydrophobicContact CD1-CG 4.17Å; L196-R202 HydrophobicContact CD2-CG 3.97Å; L196-R202 HydrophobicContact CG-CG 4.17Å; L196-R202 PolarHBondContact O-NH2 3.32Å; S198-R202 PolarHBondContact O-N 3.03Å; G199-R202 WeakPolarHBondContact O-CB 3.22Å; G199-R202 PolarHBondContact O-N 3.15Å; Q200-R202 VanDerWaalsContact C-N 3.35Å; R202-V204 VanDerWaalsContact C-N 3.33Å; R202-V204 PolarHBondContact O-N 3.39Å; R202-L205 PolarHBondContact O-N 2.92Å; R202-Y206 HydrophobicContact CB-CD2 4.43Å; R202-Y206 HydrophobicContact CB-CE2 4.44Å; R202-Y206 WeakPolarHBondContact O-CD2 3.13Å; R202-Y206 PolarHBondContact O-N 2.83Å |
| 203 | V | 84.3 | Confident | 76.6 | Confident | 91 Ų | 91 | 52.2 Ų | 52.2 | 55% | 0.552 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -58.9 | -43.4 | 177.7 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | G199 Q200 A201 Y206 V207 | G199-V203 PolarHBondContact O-N 2.99Å; Q200-V203 PolarHBondContact O-N 2.95Å; A201-V203 PolarHBondContact O-N 3.41Å; V203-Y206 WeakPolarHBondContact O-CB 3.26Å; V203-Y206 PolarHBondContact O-N 2.84Å; V203-V207 WeakPolarHBondContact O-CG2 3.35Å; V203-V207 PolarHBondContact O-N 3.37Å; V203-V207 VanDerWaalsContact O-N 3.07Å |
| 204 | V | 85.9 | Confident | 78.6 | Confident | 23 Ų | 23 | 54.5 Ų | 54.5 | 14% | 0.139 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66 | -41.1 | 177.8 | 177.9 | 0 | 0 | 0 | 0 | 111.7 | L177 L178 R181 Q200 A201 R202 V207 Y208 | L177-V204 HydrophobicContact CB-CG1 3.89Å; L178-V204 HydrophobicContact CB-CG1 4.24Å; R181-V204 HydrophobicContact CG-CG2 4.17Å; Q200-V204 PolarHBondContact O-N 3.27Å; A201-V204 PolarHBondContact O-N 2.85Å; R202-V204 VanDerWaalsContact C-N 3.33Å; R202-V204 PolarHBondContact O-N 3.39Å; V204-V207 PolarHBondContact O-N 3.04Å; V204-Y208 PolarHBondContact O-N 3.23Å |
| 205 | L | 84.4 | Confident | 80.6 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.9 | -38.2 | 176 | -173.4 | 62.3 | 0 | 0 | 0 | 112.3 | L178 F194 L196 A201 R202 Y208 L209 L346 V350 | L178-L205 HydrophobicContact CD1-CB 4.49Å; L178-L205 HydrophobicContact CD1-CD1 3.9Å; F194-L205 HydrophobicContact CB-CD2 4.11Å; F194-L205 HydrophobicContact CD1-CD1 4.15Å; F194-L205 HydrophobicContact CE1-CD1 4.33Å; F194-L205 HydrophobicContact CG-CD1 4.5Å; F194-L205 HydrophobicContact CG-CD2 4.41Å; L196-L205 HydrophobicContact CD1-CD2 3.6Å; L196-L205 HydrophobicContact CD2-CB 4.28Å; L196-L205 HydrophobicContact CD2-CD2 3.99Å; L196-L205 HydrophobicContact CG-CD2 4.3Å; A201-L205 PolarHBondContact O-N 2.95Å; R202-L205 PolarHBondContact O-N 2.92Å; L205-Y208 PolarHBondContact O-N 2.87Å; L205-L209 VanDerWaalsContact O-CB 3.28Å; L205-L209 WeakPolarHBondContact O-CB 3.17Å; L205-L209 PolarHBondContact O-N 3.43Å; L205-L346 HydrophobicContact CD1-CD2 3.97Å; L205-V350 HydrophobicContact CB-CG2 4.36Å; L205-V350 HydrophobicContact CD2-CG2 3.47Å; L205-V350 VanDerWaalsContact CD2-CG2 3.47Å; L205-V350 HydrophobicContact CG-CG2 3.62Å |
| 206 | Y | 88.3 | Confident | 82.8 | Confident | 120 Ų | 120 | 52 Ų | 52 | 47% | 0.471 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.6 | -45.2 | 171.5 | -87.8 | -68.3 | 0 | 0 | 0 | 112 | R202 V203 L209 A210 V350 | R202-Y206 HydrophobicContact CB-CD2 4.43Å; R202-Y206 HydrophobicContact CB-CE2 4.44Å; R202-Y206 WeakPolarHBondContact O-CD2 3.13Å; R202-Y206 PolarHBondContact O-N 2.83Å; V203-Y206 WeakPolarHBondContact O-CB 3.26Å; V203-Y206 PolarHBondContact O-N 2.84Å; Y206-L209 PolarHBondContact O-N 2.85Å; Y206-A210 VanDerWaalsContact O-CB 3.29Å; Y206-A210 WeakPolarHBondContact O-CB 3.28Å; Y206-A210 PolarHBondContact O-N 2.91Å; Y206-V350 HydrophobicContact CD1-CG1 3.82Å; Y206-V350 HydrophobicContact CD2-CG1 4.39Å; Y206-V350 HydrophobicContact CE1-CG1 3.25Å; Y206-V350 HydrophobicContact CE2-CG1 3.87Å; Y206-V350 HydrophobicContact CG-CG1 4.35Å; Y206-V350 WeakPolarHBondContact OH-CG1 3.47Å |
| 207 | V | 91.1 | Very high | 84.9 | Confident | 76 Ų | 76 | 53.5 Ų | 53.5 | 46% | 0.461 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.5 | -41 | 179 | 177.7 | 0 | 0 | 0 | 0 | 111 | M174 V203 V204 A210 D211 | M174-V207 HydrophobicContact CE-CB 3.96Å; M174-V207 HydrophobicContact CE-CG1 3.6Å; M174-V207 HydrophobicContact SD-CG1 3.93Å; V203-V207 WeakPolarHBondContact O-CG2 3.35Å; V203-V207 PolarHBondContact O-N 3.37Å; V203-V207 VanDerWaalsContact O-N 3.07Å; V204-V207 PolarHBondContact O-N 3.04Å; V207-A210 PolarHBondContact O-N 3.17Å; V207-D211 WeakPolarHBondContact O-CB 3.28Å; V207-D211 PolarHBondContact O-N 3.35Å |
| 208 | Y | 91.2 | Very high | 87.1 | Confident | 8 Ų | 8 | 50.4 Ų | 50.4 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 175.3 | -176.4 | -99.4 | 0 | 0 | 0 | 112.4 | I129 L178 V204 L205 D211 F212 L346 | I129-Y208 HydrophobicContact CB-CE2 4.13Å; I129-Y208 HydrophobicContact CG1-CE2 4.38Å; I129-Y208 HydrophobicContact CG2-CE2 4.36Å; L178-Y208 HydrophobicContact CD2-CD1 3.9Å; L178-Y208 HydrophobicContact CD2-CD2 4.04Å; L178-Y208 HydrophobicContact CD2-CE1 4.04Å; L178-Y208 HydrophobicContact CD2-CE2 4.18Å; L178-Y208 HydrophobicContact CD2-CG 3.89Å; V204-Y208 PolarHBondContact O-N 3.23Å; L205-Y208 PolarHBondContact O-N 2.87Å; Y208-D211 PolarHBondContact O-N 3.29Å; Y208-F212 VanDerWaalsContact O-CB 3.28Å; Y208-F212 WeakPolarHBondContact O-CB 3.3Å; Y208-F212 PolarHBondContact O-N 3.08Å; Y208-L346 HydrophobicContact CD1-CD1 4.3Å; Y208-L346 HydrophobicContact CE1-CD1 4.05Å |
| 209 | L | 91.7 | Very high | 88.7 | Confident | 30 Ų | 30 | 47.8 Ų | 47.8 | 16% | 0.157 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 175 | 176.4 | 58.6 | 0 | 0 | 0 | 111.8 | L205 Y206 A213 L346 A347 V350 | L205-L209 VanDerWaalsContact O-CB 3.28Å; L205-L209 WeakPolarHBondContact O-CB 3.17Å; L205-L209 PolarHBondContact O-N 3.43Å; Y206-L209 PolarHBondContact O-N 2.85Å; L209-A213 WeakPolarHBondContact O-CB 3.25Å; L209-A213 PolarHBondContact O-N 3.44Å; L209-L346 HydrophobicContact CD1-CB 3.92Å; L209-A347 HydrophobicContact CD2-CB 4.03Å; L209-V350 HydrophobicContact CD2-CG2 4.35Å |
| 210 | A | 93.4 | Very high | 90 | Very high | 61 Ų | 61 | 46 Ų | 46 | 50% | 0.504 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y206 V207 A213 F214 | Y206-A210 VanDerWaalsContact O-CB 3.29Å; Y206-A210 WeakPolarHBondContact O-CB 3.28Å; Y206-A210 PolarHBondContact O-N 2.91Å; V207-A210 PolarHBondContact O-N 3.17Å; A210-A213 PolarHBondContact O-N 2.95Å; A210-F214 WeakPolarHBondContact O-CB 3.38Å; A210-F214 PolarHBondContact O-N 3.26Å |
| 211 | D | 93.7 | Very high | 91.1 | Very high | 37 Ų | 37 | 44.6 Ų | 44.6 | 20% | 0.198 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.9 | -44.3 | 177.2 | -177.9 | 39.2 | 0 | 0 | 0 | 112.4 | I129 V207 Y208 A213 F214 C215 | I129-D211 WeakPolarHBondContact CD1-OD2 3.47Å; I129-D211 VanDerWaalsContact CG1-OD2 3.29Å; I129-D211 WeakPolarHBondContact CG1-OD2 3.49Å; V207-D211 WeakPolarHBondContact O-CB 3.28Å; V207-D211 PolarHBondContact O-N 3.35Å; Y208-D211 PolarHBondContact O-N 3.29Å; D211-A213 PolarHBondContact O-N 3.45Å; D211-F214 PolarHBondContact O-N 2.92Å; D211-C215 WeakPolarHBondContact O-CB 3.38Å; D211-C215 PolarHBondContact O-N 3.48Å; D211-C215 PolarHBondContact O-SG 3.25Å |
| 212 | F | 94 | Very high | 92.1 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.8 | -48.6 | 172.5 | -178.8 | -85.1 | 0 | 0 | 0 | 111.6 | I128 I129 L132 Y208 C215 V216 C339 M342 I370 | I128-F212 HydrophobicContact CG2-CE2 4.46Å; I129-F212 HydrophobicContact CD1-CB 4.26Å; L132-F212 HydrophobicContact CD1-CD2 3.43Å; L132-F212 VanDerWaalsContact CD1-CD2 3.43Å; L132-F212 HydrophobicContact CD1-CE2 3.48Å; L132-F212 VanDerWaalsContact CD1-CE2 3.48Å; L132-F212 HydrophobicContact CD1-CG 4.36Å; L132-F212 HydrophobicContact CD1-CZ 4.42Å; Y208-F212 VanDerWaalsContact O-CB 3.28Å; Y208-F212 WeakPolarHBondContact O-CB 3.3Å; Y208-F212 PolarHBondContact O-N 3.08Å; F212-C215 PolarHBondContact O-N 3.24Å; F212-V216 HydrophobicContact CD1-CG2 4.33Å; F212-V216 HydrophobicContact CE1-CG2 4.09Å; F212-V216 WeakPolarHBondContact O-CG2 3.42Å; F212-V216 PolarHBondContact O-N 2.7Å; F212-C339 HydrophobicContact CE1-CB 4.17Å; F212-C339 WeakPolarHBondContact CE1-O 3.33Å; F212-C339 HydrophobicContact CZ-CB 3.82Å; F212-C339 WeakPolarHBondContact CZ-O 3.4Å; F212-M342 HydrophobicContact CE2-CG 4.47Å; F212-M342 HydrophobicContact CZ-CB 4.22Å; F212-M342 HydrophobicContact CZ-CG 4.26Å; F212-I370 HydrophobicContact CE2-CD1 4.05Å; F212-I370 HydrophobicContact CE2-CG1 4.45Å; F212-I370 HydrophobicContact CZ-CD1 4.25Å |
| 213 | A | 95.3 | Very high | 92.8 | Very high | 49 Ų | 49 | 39.8 Ų | 39.8 | 41% | 0.405 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.3 | -40.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L209 A210 D211 V216 A217 | L209-A213 WeakPolarHBondContact O-CB 3.25Å; L209-A213 PolarHBondContact O-N 3.44Å; A210-A213 PolarHBondContact O-N 2.95Å; D211-A213 PolarHBondContact O-N 3.45Å; A213-V216 PolarHBondContact O-N 3.41Å; A213-A217 VanDerWaalsContact O-CB 3.27Å; A213-A217 WeakPolarHBondContact O-CB 3.5Å; A213-A217 PolarHBondContact O-N 3.41Å |
| 214 | F | 95.8 | Very high | 93.3 | Very high | 134 Ų | 134 | 39.2 Ų | 39.2 | 59% | 0.588 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -60.1 | -49 | 174.2 | 175 | -105.7 | 0 | 0 | 0 | 111.1 | A210 D211 V216 A217 V218 | A210-F214 WeakPolarHBondContact O-CB 3.38Å; A210-F214 PolarHBondContact O-N 3.26Å; D211-F214 PolarHBondContact O-N 2.92Å; F214-V216 PolarHBondContact O-N 2.95Å; F214-A217 PolarHBondContact O-N 2.92Å; F214-V218 HydrophobicContact CD1-CG2 4.3Å; F214-V218 HydrophobicContact CD2-CG2 4Å; F214-V218 HydrophobicContact CE1-CG2 3.99Å; F214-V218 HydrophobicContact CE2-CG2 3.67Å; F214-V218 HydrophobicContact CG-CG2 4.3Å; F214-V218 HydrophobicContact CZ-CG2 3.67Å; F214-V218 WeakPolarHBondContact O-CB 3.5Å; F214-V218 VanDerWaalsContact O-CG2 3.25Å; F214-V218 WeakPolarHBondContact O-CG2 3.13Å; F214-V218 PolarHBondContact O-N 2.82Å |
| 215 | C | 95.8 | Very high | 93.6 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 3% | 0.027 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.7 | -47.6 | 175.6 | -76.4 | 0 | 0 | 0 | 0 | 112.2 | L132 D211 F212 A217 V218 V219 | L132-C215 HydrophobicContact CB-CB 4.01Å; D211-C215 WeakPolarHBondContact O-CB 3.38Å; D211-C215 PolarHBondContact O-N 3.48Å; D211-C215 PolarHBondContact O-SG 3.25Å; F212-C215 PolarHBondContact O-N 3.24Å; C215-A217 PolarHBondContact O-N 2.94Å; C215-V218 PolarHBondContact O-N 3.46Å; C215-V219 WeakPolarHBondContact O-CB 3.41Å; C215-V219 VanDerWaalsContact O-CG2 3.25Å; C215-V219 WeakPolarHBondContact O-CG2 3.3Å; C215-V219 PolarHBondContact O-N 2.89Å |
| 216 | V | 95.3 | Very high | 94 | Very high | 14 Ų | 14 | 42.1 Ų | 42.1 | 9% | 0.085 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62 | -41.9 | 177.7 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | F212 A213 F214 S220 V335 C339 | F212-V216 HydrophobicContact CD1-CG2 4.33Å; F212-V216 HydrophobicContact CE1-CG2 4.09Å; F212-V216 WeakPolarHBondContact O-CG2 3.42Å; F212-V216 PolarHBondContact O-N 2.7Å; A213-V216 PolarHBondContact O-N 3.41Å; F214-V216 PolarHBondContact O-N 2.95Å; V216-S220 VanDerWaalsContact O-CB 3.26Å; V216-S220 WeakPolarHBondContact O-CB 3.18Å; V216-S220 PolarHBondContact O-N 3.03Å; V216-S220 PolarHBondContact O-OG 3.26Å; V216-V335 HydrophobicContact CG1-CG1 4.28Å; V216-C339 HydrophobicContact CG2-CB 3.57Å |
| 217 | A | 96.5 | Very high | 94.1 | Very high | 49 Ų | 49 | 36.8 Ų | 36.8 | 41% | 0.405 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.7 | -47.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | A213 F214 C215 V219 S220 V221 | A213-A217 VanDerWaalsContact O-CB 3.27Å; A213-A217 WeakPolarHBondContact O-CB 3.5Å; A213-A217 PolarHBondContact O-N 3.41Å; F214-A217 PolarHBondContact O-N 2.92Å; C215-A217 PolarHBondContact O-N 2.94Å; A217-V219 PolarHBondContact O-N 3.47Å; A217-S220 PolarHBondContact O-N 2.86Å; A217-V221 WeakPolarHBondContact O-CB 3.45Å; A217-V221 WeakPolarHBondContact O-CG2 3.28Å; A217-V221 PolarHBondContact O-N 3.3Å |
| 218 | V | 96.6 | Very high | 94.1 | Very high | 22 Ų | 22 | 39.2 Ų | 39.2 | 13% | 0.133 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.2 | -45.9 | 178.3 | 167.3 | 0 | 0 | 0 | 0 | 111.2 | A136 L140 F214 C215 S222 | A136-V218 HydrophobicContact CB-CB 4.36Å; A136-V218 HydrophobicContact CB-CG1 3.89Å; L140-V218 HydrophobicContact CD1-CG1 3.73Å; L140-V218 HydrophobicContact CD2-CG1 4.02Å; L140-V218 HydrophobicContact CG-CG1 3.68Å; F214-V218 HydrophobicContact CD1-CG2 4.3Å; F214-V218 HydrophobicContact CD2-CG2 4Å; F214-V218 HydrophobicContact CE1-CG2 3.99Å; F214-V218 HydrophobicContact CE2-CG2 3.67Å; F214-V218 HydrophobicContact CG-CG2 4.3Å; F214-V218 HydrophobicContact CZ-CG2 3.67Å; F214-V218 WeakPolarHBondContact O-CB 3.5Å; F214-V218 VanDerWaalsContact O-CG2 3.25Å; F214-V218 WeakPolarHBondContact O-CG2 3.13Å; F214-V218 PolarHBondContact O-N 2.82Å; C215-V218 PolarHBondContact O-N 3.46Å; V218-S222 WeakPolarHBondContact O-CB 3.38Å; V218-S222 PolarHBondContact O-N 3.33Å; V218-S222 PolarHBondContact O-OG 3.32Å |
| 219 | V | 95.1 | Very high | 94 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.8 | -49.8 | 176.5 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | V135 A136 A139 C215 A217 S222 Y223 V335 | V135-V219 HydrophobicContact CB-CG2 4.42Å; V135-V219 HydrophobicContact CG1-CG1 4.05Å; V135-V219 HydrophobicContact CG1-CG2 3.83Å; A136-V219 VanDerWaalsContact CA-CG2 3.49Å; A136-V219 HydrophobicContact CB-CG2 3.89Å; A139-V219 HydrophobicContact CB-CG2 4.49Å; C215-V219 WeakPolarHBondContact O-CB 3.41Å; C215-V219 VanDerWaalsContact O-CG2 3.25Å; C215-V219 WeakPolarHBondContact O-CG2 3.3Å; C215-V219 PolarHBondContact O-N 2.89Å; A217-V219 PolarHBondContact O-N 3.47Å; V219-S222 PolarHBondContact O-N 3.39Å; V219-Y223 HydrophobicContact CG1-CD2 3.87Å; V219-Y223 HydrophobicContact CG1-CE2 4.08Å; V219-Y223 WeakPolarHBondContact O-CD2 3.34Å; V219-Y223 PolarHBondContact O-N 3.5Å; V219-V335 HydrophobicContact CG1-CG1 4.24Å; V219-V335 HydrophobicContact CG1-CG2 3.91Å |
| 220 | S | 95.3 | Very high | 93.7 | Very high | 13 Ų | 13 | 40 Ų | 40 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63 | -50.6 | -176.5 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | V216 A217 S222 Y223 L224 | V216-S220 VanDerWaalsContact O-CB 3.26Å; V216-S220 WeakPolarHBondContact O-CB 3.18Å; V216-S220 PolarHBondContact O-N 3.03Å; V216-S220 PolarHBondContact O-OG 3.26Å; A217-S220 PolarHBondContact O-N 2.86Å; S220-S222 PolarHBondContact O-N 2.9Å; S220-Y223 PolarHBondContact O-N 3.31Å; S220-L224 WeakPolarHBondContact O-CB 3.35Å; S220-L224 WeakPolarHBondContact O-CG 3.45Å; S220-L224 PolarHBondContact O-N 2.96Å |
| 221 | V | 96.3 | Very high | 93.4 | Very high | 88 Ų | 88 | 44 Ų | 44 | 53% | 0.533 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.7 | -42.7 | 177.8 | 174 | 0 | 0 | 0 | 0 | 110.9 | A217 L224 M225 | A217-V221 WeakPolarHBondContact O-CB 3.45Å; A217-V221 WeakPolarHBondContact O-CG2 3.28Å; A217-V221 PolarHBondContact O-N 3.3Å; V221-L224 PolarHBondContact O-N 3.19Å; V221-M225 HydrophobicContact CG1-CG 4.24Å; V221-M225 WeakPolarHBondContact O-CB 3.45Å; V221-M225 VanDerWaalsContact O-CG 3.28Å; V221-M225 WeakPolarHBondContact O-CG 3.23Å; V221-M225 PolarHBondContact O-N 3.48Å |
| 222 | S | 95.2 | Very high | 93.1 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 3% | 0.028 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.4 | -47.9 | 179.2 | -64.3 | 0 | 0 | 0 | 0 | 112.3 | V218 V219 S220 M225 I226 | V218-S222 WeakPolarHBondContact O-CB 3.38Å; V218-S222 PolarHBondContact O-N 3.33Å; V218-S222 PolarHBondContact O-OG 3.32Å; V219-S222 PolarHBondContact O-N 3.39Å; S220-S222 PolarHBondContact O-N 2.9Å; S222-M225 PolarHBondContact O-N 3.36Å; S222-I226 VanDerWaalsContact O-CG1 3.27Å; S222-I226 WeakPolarHBondContact O-CG1 3.4Å; S222-I226 PolarHBondContact O-N 2.9Å |
| 223 | Y | 94 | Very high | 92.5 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72.4 | -30.9 | 179.2 | -78.5 | -68.6 | 0 | 0 | 0 | 113.4 | A139 V219 S220 I226 A227 C328 I331 | A139-Y223 HydrophobicContact CB-CD2 3.99Å; A139-Y223 HydrophobicContact CB-CE2 3.53Å; V219-Y223 HydrophobicContact CG1-CD2 3.87Å; V219-Y223 HydrophobicContact CG1-CE2 4.08Å; V219-Y223 WeakPolarHBondContact O-CD2 3.34Å; V219-Y223 PolarHBondContact O-N 3.5Å; S220-Y223 PolarHBondContact O-N 3.31Å; Y223-I226 HydrophobicContact CD1-CD1 3.97Å; Y223-I226 HydrophobicContact CE1-CD1 4.21Å; Y223-A227 VanDerWaalsContact O-CB 3.3Å; Y223-A227 WeakPolarHBondContact O-CB 3.2Å; Y223-A227 PolarHBondContact O-N 3.07Å; Y223-C328 HydrophobicContact CD1-CB 4.27Å; Y223-I331 HydrophobicContact CD1-CD1 3.99Å; Y223-I331 HydrophobicContact CD2-CB 4.43Å; Y223-I331 HydrophobicContact CD2-CG2 3.58Å; Y223-I331 HydrophobicContact CE1-CD1 3.59Å; Y223-I331 HydrophobicContact CE2-CD1 4.41Å; Y223-I331 HydrophobicContact CE2-CG2 3.62Å; Y223-I331 HydrophobicContact CG-CB 4.46Å; Y223-I331 HydrophobicContact CG-CG2 4.08Å |
| 224 | L | 94.1 | Very high | 91.8 | Very high | 79 Ų | 79 | 50.4 Ų | 50.4 | 41% | 0.414 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 169.7 | -73.1 | 172.2 | 0 | 0 | 0 | 111.9 | S220 V221 A227 K228 V332 | S220-L224 WeakPolarHBondContact O-CB 3.35Å; S220-L224 WeakPolarHBondContact O-CG 3.45Å; S220-L224 PolarHBondContact O-N 2.96Å; V221-L224 PolarHBondContact O-N 3.19Å; L224-A227 PolarHBondContact O-N 3.44Å; L224-K228 WeakPolarHBondContact O-CB 3.37Å; L224-K228 VanDerWaalsContact O-CG 3.31Å; L224-K228 WeakPolarHBondContact O-CG 3.5Å; L224-K228 PolarHBondContact O-N 3.14Å; L224-V332 HydrophobicContact CD2-CG1 4.46Å; L224-V332 HydrophobicContact CD2-CG2 4.43Å; L224-V332 HydrophobicContact CG-CG1 4.4Å; L224-V332 HydrophobicContact CG-CG2 4.17Å |
| 225 | M | 93.6 | Very high | 91 | Very high | 77 Ų | 77 | 50 Ų | 50 | 38% | 0.379 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -69.4 | -42.3 | 176.2 | -72.8 | -63.3 | -75 | 0 | 0 | 112 | L143 V221 S222 A227 K228 T229 | L143-M225 HydrophobicContact CD1-CB 3.72Å; V221-M225 HydrophobicContact CG1-CG 4.24Å; V221-M225 WeakPolarHBondContact O-CB 3.45Å; V221-M225 VanDerWaalsContact O-CG 3.28Å; V221-M225 WeakPolarHBondContact O-CG 3.23Å; V221-M225 PolarHBondContact O-N 3.48Å; S222-M225 PolarHBondContact O-N 3.36Å; M225-A227 VanDerWaalsContact C-N 3.32Å; M225-A227 PolarHBondContact O-N 2.92Å; M225-K228 PolarHBondContact O-N 2.96Å; M225-K228 HydrophobicContact SD-CD 4.16Å; M225-T229 PolarHBondContact O-N 2.95Å; M225-T229 PolarHBondContact O-OG1 3.38Å |
| 226 | I | 91.8 | Very high | 90.1 | Very high | 8 Ų | 8 | 55 Ų | 55 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.2 | -47.9 | 170.3 | -68.5 | 162.4 | 0 | 0 | 0 | 110.2 | R142 L143 V146 S222 Y223 K228 T229 L230 C328 | R142-I226 HydrophobicContact CB-CD1 3.86Å; L143-I226 HydrophobicContact CB-CD1 4.26Å; L143-I226 HydrophobicContact CB-CG1 4.21Å; L143-I226 HydrophobicContact CD1-CG1 3.91Å; V146-I226 HydrophobicContact CB-CG1 4.41Å; V146-I226 HydrophobicContact CG1-CG2 4.42Å; V146-I226 HydrophobicContact CG2-CG1 4.41Å; V146-I226 HydrophobicContact CG2-CG2 4.22Å; S222-I226 VanDerWaalsContact O-CG1 3.27Å; S222-I226 WeakPolarHBondContact O-CG1 3.4Å; S222-I226 PolarHBondContact O-N 2.9Å; Y223-I226 HydrophobicContact CD1-CD1 3.97Å; Y223-I226 HydrophobicContact CE1-CD1 4.21Å; I226-K228 PolarHBondContact O-N 3.35Å; I226-T229 PolarHBondContact O-N 3.36Å; I226-L230 HydrophobicContact CG2-CD1 3.73Å; I226-L230 HydrophobicContact CG2-CG 4.26Å; I226-L230 WeakPolarHBondContact O-CB 3.47Å; I226-L230 VanDerWaalsContact O-CG 3.28Å; I226-L230 WeakPolarHBondContact O-CG 3.34Å; I226-L230 PolarHBondContact O-N 2.84Å; I226-C328 VanDerWaalsContact CG2-SG 3.6Å |
| 227 | A | 90.5 | Very high | 89.1 | Confident | 7 Ų | 7 | 60.6 Ų | 60.6 | 6% | 0.058 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y223 L224 M225 R231 C328 | Y223-A227 VanDerWaalsContact O-CB 3.3Å; Y223-A227 WeakPolarHBondContact O-CB 3.2Å; Y223-A227 PolarHBondContact O-N 3.07Å; L224-A227 PolarHBondContact O-N 3.44Å; M225-A227 VanDerWaalsContact C-N 3.32Å; M225-A227 PolarHBondContact O-N 2.92Å; A227-R231 WeakPolarHBondContact O-CB 3.35Å; A227-R231 VanDerWaalsContact O-CG 3.29Å; A227-R231 WeakPolarHBondContact O-CG 3.47Å; A227-R231 PolarHBondContact O-N 3.47Å; A227-C328 HydrophobicContact CB-CB 3.93Å |
| 228 | K | 90.8 | Very high | 87.7 | Confident | 127 Ų | 127 | 65 Ų | 65 | 55% | 0.552 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63 | -47.6 | 175.1 | -76.8 | 173 | 179.3 | 180 | 0 | 111.6 | L224 M225 I226 R231 K232 | L224-K228 WeakPolarHBondContact O-CB 3.37Å; L224-K228 VanDerWaalsContact O-CG 3.31Å; L224-K228 WeakPolarHBondContact O-CG 3.5Å; L224-K228 PolarHBondContact O-N 3.14Å; M225-K228 PolarHBondContact O-N 2.96Å; M225-K228 HydrophobicContact SD-CD 4.16Å; I226-K228 PolarHBondContact O-N 3.35Å; K228-R231 PolarHBondContact O-N 3.48Å; K228-K232 WeakPolarHBondContact O-CG 3.25Å; K228-K232 PolarHBondContact O-N 3.32Å |
| 229 | T | 88.8 | Confident | 85.9 | Confident | 27 Ų | 27 | 67.9 Ų | 67.9 | 17% | 0.166 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65 | -43.5 | 179 | -61 | 0 | 0 | 0 | 0 | 111.8 | V146 M225 I226 R231 K232 N233 | V146-T229 HydrophobicContact CG1-CG2 3.86Å; M225-T229 PolarHBondContact O-N 2.95Å; M225-T229 PolarHBondContact O-OG1 3.38Å; I226-T229 PolarHBondContact O-N 3.36Å; T229-R231 PolarHBondContact O-N 2.95Å; T229-K232 PolarHBondContact O-N 3.38Å; T229-N233 WeakPolarHBondContact O-CB 3.33Å; T229-N233 PolarHBondContact O-N 3.11Å; T229-N233 PolarHBondContact O-OD1 3.3Å |
| 230 | L | 86.9 | Confident | 83.7 | Confident | 28 Ų | 28 | 73.1 Ų | 73.1 | 15% | 0.147 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.8 | -40.2 | 174.9 | -70.5 | 174.2 | 0 | 0 | 0 | 112.4 | I226 N233 A234 A324 V325 | I226-L230 HydrophobicContact CG2-CD1 3.73Å; I226-L230 HydrophobicContact CG2-CG 4.26Å; I226-L230 WeakPolarHBondContact O-CB 3.47Å; I226-L230 VanDerWaalsContact O-CG 3.28Å; I226-L230 WeakPolarHBondContact O-CG 3.34Å; I226-L230 PolarHBondContact O-N 2.84Å; L230-N233 PolarHBondContact O-N 2.73Å; L230-A234 WeakPolarHBondContact O-CB 3.45Å; L230-A234 PolarHBondContact O-N 2.94Å; L230-A324 HydrophobicContact CD1-CB 3.88Å; L230-V325 HydrophobicContact CB-CG2 3.57Å; L230-V325 HydrophobicContact CD1-CG2 4.37Å |
| 231 | R | 86.6 | Confident | 81.5 | Confident | 144 Ų | 144 | 79.8 Ų | 79.8 | 54% | 0.543 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 173.5 | -77 | -178.6 | -174.2 | -155 | 2.4 | 111.9 | A227 K228 T229 A234 Q235 V325 | A227-R231 WeakPolarHBondContact O-CB 3.35Å; A227-R231 VanDerWaalsContact O-CG 3.29Å; A227-R231 WeakPolarHBondContact O-CG 3.47Å; A227-R231 PolarHBondContact O-N 3.47Å; K228-R231 PolarHBondContact O-N 3.48Å; T229-R231 PolarHBondContact O-N 2.95Å; R231-A234 PolarHBondContact O-N 2.86Å; R231-Q235 WeakPolarHBondContact O-CG 3.16Å; R231-Q235 PolarHBondContact O-N 3.4Å; R231-V325 HydrophobicContact CG-CG1 3.93Å; R231-V325 HydrophobicContact CG-CG2 3.9Å |
| 232 | K | 86.9 | Confident | 79.1 | Confident | 141 Ų | 141 | 82.4 Ų | 82.4 | 61% | 0.613 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -59 | -47.3 | 176.2 | -76 | -174.4 | 173.8 | -169.3 | 0 | 111.6 | K228 T229 A234 Q235 V236 | K228-K232 WeakPolarHBondContact O-CG 3.25Å; K228-K232 PolarHBondContact O-N 3.32Å; T229-K232 PolarHBondContact O-N 3.38Å; K232-A234 VanDerWaalsContact C-N 3.32Å; K232-A234 PolarHBondContact O-N 3.34Å; K232-Q235 WeakPolarHBondContact O-CB 3.21Å; K232-Q235 PolarHBondContact O-N 3.26Å; K232-Q235 VanDerWaalsContact O-N 3.09Å; K232-V236 WeakPolarHBondContact O-CG2 3.24Å; K232-V236 PolarHBondContact O-N 3Å |
| 233 | N | 82.3 | Confident | 76.8 | Confident | 72 Ų | 72 | 87 Ų | 87 | 39% | 0.385 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 178.8 | -67.3 | -6.3 | 0 | 0 | 0 | 111.9 | T229 L230 R237 | T229-N233 WeakPolarHBondContact O-CB 3.33Å; T229-N233 PolarHBondContact O-N 3.11Å; T229-N233 PolarHBondContact O-OD1 3.3Å; L230-N233 PolarHBondContact O-N 2.73Å; N233-R237 WeakPolarHBondContact O-CB 3.3Å; N233-R237 WeakPolarHBondContact O-CD 3.4Å; N233-R237 VanDerWaalsContact O-CG 3.26Å; N233-R237 WeakPolarHBondContact O-CG 3.27Å; N233-R237 PolarHBondContact O-N 3.02Å; N233-R237 VanDerWaalsContact O-N 3.13Å |
| 234 | A | 80.7 | Confident | 74.4 | Confident | 15 Ų | 15 | 92.6 Ų | 92.6 | 12% | 0.124 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -70.6 | -28 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | L230 R231 K232 K238 D321 | L230-A234 WeakPolarHBondContact O-CB 3.45Å; L230-A234 PolarHBondContact O-N 2.94Å; R231-A234 PolarHBondContact O-N 2.86Å; K232-A234 VanDerWaalsContact C-N 3.32Å; K232-A234 PolarHBondContact O-N 3.34Å; A234-K238 VanDerWaalsContact O-CG 3.29Å; A234-K238 WeakPolarHBondContact O-CG 3.46Å; A234-K238 PolarHBondContact O-N 3.43Å; A234-D321 HydrophobicContact CB-CB 4.12Å |
| 235 | Q | 78.6 | Confident | 71.7 | Confident | 125 Ų | 125 | 94.2 Ų | 94.2 | 58% | 0.584 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -72.5 | -45.8 | 172.5 | -75.9 | 171.8 | -50.1 | 0 | 0 | 111.5 | R231 K232 R237 K238 C239 | R231-Q235 WeakPolarHBondContact O-CG 3.16Å; R231-Q235 PolarHBondContact O-N 3.4Å; K232-Q235 WeakPolarHBondContact O-CB 3.21Å; K232-Q235 PolarHBondContact O-N 3.26Å; K232-Q235 VanDerWaalsContact O-N 3.09Å; Q235-R237 VanDerWaalsContact C-N 3.25Å; Q235-R237 PolarHBondContact O-N 3.4Å; Q235-K238 WeakPolarHBondContact O-CA 3.38Å; Q235-K238 WeakPolarHBondContact O-CB 3.49Å; Q235-K238 PolarHBondContact O-N 3.01Å; Q235-C239 PolarHBondContact O-N 2.99Å; Q235-C239 VanDerWaalsContact O-N 3.09Å |
| 236 | V | 77.3 | Confident | 69.4 | Low | 109 Ų | 109 | 95.3 Ų | 95.3 | 66% | 0.661 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.8 | -36.8 | 175.8 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | K232 K238 | K232-V236 WeakPolarHBondContact O-CG2 3.24Å; K232-V236 PolarHBondContact O-N 3Å; V236-K238 PolarHBondContact O-N 2.69Å |
| 237 | R | 72.6 | Confident | 66.9 | Low | 133 Ų | 133 | 100 Ų | 100 | 50% | 0.502 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -13.2 | 172.7 | -72.2 | 169.8 | 177.5 | 171 | -1.1 | 114.8 | N233 Q235 D321 | N233-R237 WeakPolarHBondContact O-CB 3.3Å; N233-R237 WeakPolarHBondContact O-CD 3.4Å; N233-R237 VanDerWaalsContact O-CG 3.26Å; N233-R237 WeakPolarHBondContact O-CG 3.27Å; N233-R237 PolarHBondContact O-N 3.02Å; N233-R237 VanDerWaalsContact O-N 3.13Å; Q235-R237 VanDerWaalsContact C-N 3.25Å; Q235-R237 PolarHBondContact O-N 3.4Å; R237-D321 IonicContact CZ-OD2 3.94Å; R237-D321 IonicContact NH1-OD1 3.27Å; R237-D321 PolarHBondContact NH1-OD1 2.99Å; R237-D321 IonicContact NH1-OD2 3.53Å; R237-D321 PolarHBondContact NH1-OD2 3.29Å |
| 238 | K | 68.4 | Low | 64.3 | Low | 140 Ų | 140 | 104.7 Ų | 104.7 | 61% | 0.609 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | -17.9 | 179 | -83.6 | -177.8 | 173.5 | -160.5 | 0 | 113.8 | A234 Q235 V236 P240 T318 | A234-K238 VanDerWaalsContact O-CG 3.29Å; A234-K238 WeakPolarHBondContact O-CG 3.46Å; A234-K238 PolarHBondContact O-N 3.43Å; Q235-K238 WeakPolarHBondContact O-CA 3.38Å; Q235-K238 WeakPolarHBondContact O-CB 3.49Å; Q235-K238 PolarHBondContact O-N 3.01Å; V236-K238 PolarHBondContact O-N 2.69Å; K238-P240 WeakPolarHBondContact O-CD 3.45Å; K238-T318 VanDerWaalsContact CE-CG2 3.42Å |
| 239 | C | 59 | Low | 61.9 | Low | 84 Ų | 84 | 103.7 Ų | 103.7 | 57% | 0.568 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -56.5 | 122 | 167.3 | -64 | 0 | 0 | 0 | 0 | 107.5 | Q235 I241 | Q235-C239 PolarHBondContact O-N 2.99Å; Q235-C239 VanDerWaalsContact O-N 3.09Å; C239-I241 PolarHBondContact O-N 2.95Å |
| 240 | P | 47.8 | Very low | 59.5 | Low | 110 Ų | 110 | 108.6 Ų | 108.6 | 71% | 0.714 | 61% | 0.607 | S | S | * | * | trans | -59.6 | 132.7 | 176.6 | 25.4 | -32.8 | 0 | 0 | 0 | 108 | K238 I242 | K238-P240 WeakPolarHBondContact O-CD 3.45Å; P240-I242 PolarHBondContact O-N 3.29Å | ||
| 241 | I | 49.3 | Very low | 57.2 | Low | 154 Ų | 154 | 116.2 Ų | 116.2 | 79% | 0.79 | 64% | 0.641 | S | S | * | * | trans | -62.4 | 108.8 | 164.2 | -64.9 | 172.3 | 0 | 0 | 0 | 104.8 | C239 S243 | C239-I241 PolarHBondContact O-N 2.95Å; I241-S243 PolarHBondContact O-N 3.48Å | ||
| 242 | I | 46.9 | Very low | 55 | Low | 142 Ų | 142 | 115.2 Ų | 115.2 | 73% | 0.728 | 65% | 0.653 | S | S | * | * | trans | -68.8 | 90.7 | 170.5 | -58.1 | 175.8 | 0 | 0 | 0 | 105.5 | P240 V244 | P240-I242 PolarHBondContact O-N 3.29Å; I242-V244 HydrophobicContact CG2-CG2 4.18Å; I242-V244 PolarHBondContact O-N 2.89Å | ||
| 243 | S | 45.2 | Very low | 52.8 | Low | 100 Ų | 100 | 112.9 Ų | 112.9 | 70% | 0.699 | 66% | 0.66 | S | S | * | * | trans | -65.1 | 90.4 | 163.1 | 51.1 | 0 | 0 | 0 | 0 | 106.8 | I241 D245 | I241-S243 PolarHBondContact O-N 3.48Å; S243-D245 PolarHBondContact O-N 3.36Å | ||
| 244 | V | 44.3 | Very low | 50.5 | Low | 122 Ų | 122 | 115.7 Ų | 115.7 | 74% | 0.739 | 68% | 0.683 | S | S | * | * | trans | -57.8 | 109.6 | 165.8 | 177 | 0 | 0 | 0 | 0 | 105.8 | I242 A246 | I242-V244 HydrophobicContact CG2-CG2 4.18Å; I242-V244 PolarHBondContact O-N 2.89Å; V244-A246 PolarHBondContact O-N 3.32Å | ||
| 245 | D | 36.8 | Very low | 48.2 | Very low | 114 Ų | 114 | 122.3 Ų | 122.3 | 61% | 0.61 | 72% | 0.715 | S | S | * | * | trans | -76 | 98.6 | -171.5 | -159.3 | 2.8 | 0 | 0 | 0 | 109.3 | S243 T247 | S243-D245 PolarHBondContact O-N 3.36Å; D245-T247 PolarHBondContact O-N 2.89Å; D245-T247 PolarHBondContact OD1-OG1 3.5Å | ||
| 246 | A | 46.3 | Very low | 46.1 | Very low | 99 Ų | 99 | 124 Ų | 124 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | 17.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V244 | V244-A246 PolarHBondContact O-N 3.32Š|
| 247 | T | 38.6 | Very low | 43.8 | Very low | 107 Ų | 107 | 122.9 Ų | 122.9 | 66% | 0.656 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | -1.3 | -179.1 | 59.7 | 0 | 0 | 0 | 0 | 114.2 | D245 P249 | D245-T247 PolarHBondContact O-N 2.89Å; D245-T247 PolarHBondContact OD1-OG1 3.5Å; T247-P249 VanDerWaalsContact O-CD 3.23Å; T247-P249 WeakPolarHBondContact O-CD 3.41Å |
| 248 | C | 36.9 | Very low | 41.7 | Very low | 105 Ų | 105 | 121.7 Ų | 121.7 | 71% | 0.709 | 75% | 0.748 | S | S | * | * | trans | -79.6 | 111.9 | 169.5 | -73.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 249 | P | 40.1 | Very low | 39.7 | Very low | 107 Ų | 107 | 118.2 Ų | 118.2 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 153 | 170.5 | 31.2 | -35.3 | 0 | 0 | 0 | 110.4 | T247 Q251 | T247-P249 VanDerWaalsContact O-CD 3.23Å; T247-P249 WeakPolarHBondContact O-CD 3.41Å; P249-Q251 PolarHBondContact O-N 2.77Å |
| 250 | P | 39 | Very low | 38.2 | Very low | 130 Ų | 130 | 123.4 Ų | 123.4 | 84% | 0.844 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 121.6 | 177.8 | 27.6 | -33.9 | 0 | 0 | 0 | 110.5 | ||
| 251 | Q | 38.5 | Very low | 37.3 | Very low | 187 Ų | 187 | 125.8 Ų | 125.8 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 138.9 | 167.8 | -75.4 | -173.3 | -38.4 | 0 | 0 | 110 | P249 | P249-Q251 PolarHBondContact O-N 2.77Š|
| 252 | P | 39 | Very low | 36.3 | Very low | 123 Ų | 123 | 125.7 Ų | 125.7 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 141.8 | 175.6 | 29.6 | -34.1 | 0 | 0 | 0 | 110.9 | ||
| 253 | A | 40.7 | Very low | 35.5 | Very low | 92 Ų | 92 | 128.1 Ų | 128.1 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 136.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 254 | P | 35.4 | Very low | 34.7 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 140.4 | 163.3 | -12.2 | 27.9 | 0 | 0 | 0 | 110.6 | ||
| 255 | L | 31.5 | Very low | 33.9 | Very low | 154 Ų | 154 | 133.2 Ų | 133.2 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 146 | 173.7 | -96.9 | 160.2 | 0 | 0 | 0 | 110.9 | ||
| 256 | I | 34.2 | Very low | 33.4 | Very low | 161 Ų | 161 | 132 Ų | 132 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | 73.7 | 137.9 | 159.6 | -62.8 | 158.2 | 0 | 0 | 0 | 113.9 | ||||
| 257 | A | 28.9 | Very low | 32.6 | Very low | 85 Ų | 85 | 134.2 Ų | 134.2 | 70% | 0.702 | 81% | 0.805 | S | S | * | * | cis | -139.7 | 157.7 | 12.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 258 | A | 29.2 | Very low | 32.2 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 90% | 0.901 | 82% | 0.817 | S | S | * | * | trans | 53.4 | 126.4 | 141.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 259 | G | 26 | Very low | 31.8 | Very low | 67 Ų | 67 | 136.7 Ų | 136.7 | 69% | 0.691 | 82% | 0.817 | S | S | * | * | trans | 160.2 | 46.9 | 155.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 260 | F | 26.7 | Very low | 31.5 | Very low | 193 Ų | 193 | 137.8 Ų | 137.8 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | trans | 62 | 147.5 | 162.1 | -77.7 | -105.1 | 0 | 0 | 0 | 117.6 | ||||
| 261 | E | 30.1 | Very low | 32 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 74% | 0.743 | 82% | 0.822 | S | S | * | * | cis | -148.6 | 175.5 | -12 | -158 | 162.2 | -154.2 | 0 | 0 | 109.5 | ||||
| 262 | N | 27.1 | Very low | 31.5 | Very low | 153 Ų | 153 | 136.4 Ų | 136.4 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -81.3 | 142.8 | -173 | -51.9 | -70.6 | 0 | 0 | 0 | 113.5 | ||||
| 263 | M | 31.4 | Very low | 30.9 | Very low | 193 Ų | 193 | 138.7 Ų | 138.7 | 95% | 0.951 | 82% | 0.816 | S | S | * | * | -164.1 | 140.4 | 101.6 | -134.2 | 169.8 | -174.8 | 0 | 0 | 112.5 | |||||
| 264 | Q | 27.9 | Very low | 30.3 | Very low | 193 Ų | 193 | 141.6 Ų | 141.6 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | trans | -101.9 | 153.3 | 173.1 | -63.5 | 166.7 | -47 | 0 | 0 | 110 | ||||
| 265 | C | 26.7 | Very low | 29.9 | Very low | 135 Ų | 135 | 143.6 Ų | 143.6 | 91% | 0.912 | 81% | 0.81 | S | S | * | * | trans | -153.5 | 144.6 | 131.7 | -145.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 266 | A | 27.9 | Very low | 29.7 | Very low | 88 Ų | 88 | 142 Ų | 142 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -116 | 151.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 267 | V | 29.8 | Very low | 29.5 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | trans | -130.5 | 124.5 | 166.3 | 179.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 268 | Q | 28.5 | Very low | 29.5 | Very low | 195 Ų | 195 | 146.1 Ų | 146.1 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | trans | -94.6 | 142.1 | 170.4 | -66.6 | -179.5 | -8.3 | 0 | 0 | 109.7 | ||||
| 269 | G | 28.7 | Very low | 29.4 | Very low | 70 Ų | 70 | 148.8 Ų | 148.8 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | -162.3 | 137.3 | 175 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 270 | P | 35.2 | Very low | 29.5 | Very low | 130 Ų | 130 | 153.7 Ų | 153.7 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | trans | -87.5 | 160.4 | -162.9 | 33.4 | -35.5 | 0 | 0 | 0 | 114.7 | ||||
| 271 | P | 49.3 | Very low | 29.8 | Very low | 122 Ų | 122 | 152.1 Ų | 152.1 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | trans | -90.9 | 156.1 | -172 | 36.3 | -36.3 | 0 | 0 | 0 | 113.8 | ||||
| 272 | L | 27.7 | Very low | 29.8 | Very low | 165 Ų | 165 | 151.3 Ų | 151.3 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -161.3 | 156.7 | 152.2 | -106.9 | 165.7 | 0 | 0 | 0 | 112.6 | ||||
| 273 | Y | 25.9 | Very low | 30 | Very low | 172 Ų | 172 | 151.2 Ų | 151.2 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | trans | 67 | 81.8 | 166.8 | -103.1 | -106 | 0 | 0 | 0 | 121.8 | ||||
| 274 | R | 28.5 | Very low | 29.9 | Very low | 152 Ų | 152 | 146.9 Ų | 146.9 | 57% | 0.574 | 78% | 0.784 | S | S | * | * | 50 | 113.4 | 104.8 | -174.3 | -165.2 | -166.5 | 147.7 | 4.7 | 117.5 | Q276 | R274-Q276 HydrophobicContact CG-CG 4.31Å; R274-Q276 VanDerWaalsContact CZ-OE1 3.27Å | |||
| 275 | N | 27.4 | Very low | 30.1 | Very low | 173 Ų | 173 | 145.2 Ų | 145.2 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | trans | -134.9 | 140.9 | 137.5 | -116 | -61.1 | 0 | 0 | 0 | 110.8 | ||||
| 276 | Q | 27.5 | Very low | 30.2 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 56% | 0.561 | 77% | 0.768 | S | S | * | * | trans | -94.8 | 129.5 | -161.6 | -76.6 | 172.5 | -122 | 0 | 0 | 113.3 | R274 Y278 | R274-Q276 HydrophobicContact CG-CG 4.31Å; R274-Q276 VanDerWaalsContact CZ-OE1 3.27Å; Q276-Y278 PolarHBondContact O-N 2.86Å | ||
| 277 | T | 29.6 | Very low | 30.3 | Very low | 137 Ų | 137 | 148.1 Ų | 148.1 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | trans | -61.4 | 122 | 160.2 | 31.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 278 | Y | 27.5 | Very low | 30.1 | Very low | 197 Ų | 197 | 145.5 Ų | 145.5 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | trans | -138.7 | 63.9 | 162.6 | -121.4 | -79.2 | 0 | 0 | 0 | 112.3 | Q276 | Q276-Y278 PolarHBondContact O-N 2.86Š| ||
| 279 | N | 28.6 | Very low | 30.3 | Very low | 164 Ų | 164 | 146 Ų | 146 | 88% | 0.877 | 76% | 0.757 | S | S | * | * | trans | -134 | 63 | 158.4 | -107.4 | -48.5 | 0 | 0 | 0 | 108.6 | L281 | N279-L281 VanDerWaalsContact C-N 3.32Å; N279-L281 PolarHBondContact O-N 2.97Å | ||
| 280 | K | 28.1 | Very low | 30.3 | Very low | 170 Ų | 170 | 147.1 Ų | 147.1 | 74% | 0.739 | 76% | 0.76 | S | S | * | * | trans | -72.3 | 88.9 | 175.4 | -172.2 | 180 | -175.8 | -179.2 | 0 | 108.4 | Q282 | K280-Q282 PolarHBondContact O-N 2.92Š| ||
| 281 | L | 32.1 | Very low | 30.3 | Very low | 160 Ų | 160 | 146.8 Ų | 146.8 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | trans | -67.5 | 89 | 171.6 | -164.5 | 80 | 0 | 0 | 0 | 108.2 | N279 N283 | N279-L281 VanDerWaalsContact C-N 3.32Å; N279-L281 PolarHBondContact O-N 2.97Å; L281-N283 VanDerWaalsContact C-N 3.34Å; L281-N283 PolarHBondContact O-N 3.32Å | ||
| 282 | Q | 30.1 | Very low | 29.2 | Very low | 142 Ų | 142 | 152.1 Ų | 152.1 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | trans | -72.6 | 90.9 | -176.4 | -173.8 | 167.3 | -8.9 | 0 | 0 | 109.2 | K280 V284 | K280-Q282 PolarHBondContact O-N 2.92Å; Q282-V284 VanDerWaalsContact C-N 3.31Å; Q282-V284 HydrophobicContact CG-CG2 4.18Å; Q282-V284 PolarHBondContact O-N 3.19Å | ||
| 283 | N | 31.9 | Very low | 29.5 | Very low | 152 Ų | 152 | 151.3 Ų | 151.3 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | trans | -68.8 | 90.4 | 175.4 | -139.7 | 9.2 | 0 | 0 | 0 | 107.9 | L281 Q285 | L281-N283 VanDerWaalsContact C-N 3.34Å; L281-N283 PolarHBondContact O-N 3.32Å; N283-Q285 PolarHBondContact O-N 2.89Å | ||
| 284 | V | 29.1 | Very low | 29.9 | Very low | 102 Ų | 102 | 148 Ų | 148 | 62% | 0.618 | 75% | 0.753 | S | S | * | * | trans | -71.2 | 96.5 | 179.1 | 179.2 | 0 | 0 | 0 | 0 | 107.7 | Q282 T286 | Q282-V284 VanDerWaalsContact C-N 3.31Å; Q282-V284 HydrophobicContact CG-CG2 4.18Å; Q282-V284 PolarHBondContact O-N 3.19Å; V284-T286 VanDerWaalsContact C-N 3.26Å; V284-T286 HydrophobicContact CG1-CG2 4.32Å; V284-T286 PolarHBondContact O-N 3.09Å | ||
| 285 | Q | 31.5 | Very low | 30 | Very low | 157 Ų | 157 | 150 Ų | 150 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -72.6 | 81.5 | 177.8 | -173.3 | 165.5 | -37.9 | 0 | 0 | 109.8 | N283 H287 | N283-Q285 PolarHBondContact O-N 2.89Å; Q285-H287 PolarHBondContact NE2-NE2 3.32Å; Q285-H287 PolarHBondContact O-N 3.42Å | ||
| 286 | T | 28.9 | Very low | 30.3 | Very low | 122 Ų | 122 | 147.4 Ų | 147.4 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | -66.1 | 100.1 | 173.5 | 27 | 0 | 0 | 0 | 0 | 110.1 | V284 A288 | V284-T286 VanDerWaalsContact C-N 3.26Å; V284-T286 HydrophobicContact CG1-CG2 4.32Å; V284-T286 PolarHBondContact O-N 3.09Å; T286-A288 PolarHBondContact O-N 3.46Å | ||
| 287 | H | 30.1 | Very low | 30.6 | Very low | 163 Ų | 163 | 149.3 Ų | 149.3 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -64.3 | 92.9 | 169.7 | -85 | -101.9 | 0 | 0 | 0 | 110.4 | Q285 Y289 | Q285-H287 PolarHBondContact NE2-NE2 3.32Å; Q285-H287 PolarHBondContact O-N 3.42Å; H287-Y289 PolarHBondContact O-N 3.4Å | ||
| 288 | A | 27.2 | Very low | 30.7 | Very low | 90 Ų | 90 | 149.1 Ų | 149.1 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | trans | -75.4 | 99.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | T286 A290 | T286-A288 PolarHBondContact O-N 3.46Å; A288-A290 PolarHBondContact O-N 2.92Å | ||
| 289 | Y | 31.3 | Very low | 31.1 | Very low | 205 Ų | 205 | 145.3 Ų | 145.3 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -71.2 | 93.4 | 172.6 | -174.7 | -92.2 | 0 | 0 | 0 | 109.9 | H287 N291 | H287-Y289 PolarHBondContact O-N 3.4Å; Y289-N291 HydrophobicContact CE1-CB 4.15Å | ||
| 290 | A | 29.8 | Very low | 31.6 | Very low | 94 Ų | 94 | 140.6 Ų | 140.6 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | trans | -115 | 102.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | A288 R292 | A288-A290 PolarHBondContact O-N 2.92Å; A290-R292 PolarHBondContact O-N 3.46Å | ||
| 291 | N | 34 | Very low | 32 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 66% | 0.658 | 76% | 0.762 | S | S | * | * | trans | -91.2 | 103.4 | -173.2 | -173 | -1.7 | 0 | 0 | 0 | 111.9 | Y289 | Y289-N291 HydrophobicContact CE1-CB 4.15Š| ||
| 292 | R | 27 | Very low | 32.3 | Very low | 234 Ų | 234 | 133.1 Ų | 133.1 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | trans | -149.8 | 104.6 | 164.1 | -88.2 | -159.7 | 175.2 | -164.1 | -1.5 | 113.5 | A290 | A290-R292 PolarHBondContact O-N 3.46Š| ||
| 293 | I | 33.7 | Very low | 32.9 | Very low | 149 Ų | 149 | 134 Ų | 134 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | 33.7 | 94.8 | 128.9 | -53.9 | 177.8 | 0 | 0 | 0 | 116.7 | |||||
| 294 | S | 33.3 | Very low | 33.4 | Very low | 103 Ų | 103 | 128.7 Ų | 128.7 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | trans | 29.4 | 116.3 | 142.2 | 62.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 295 | Q | 31.2 | Very low | 34.1 | Very low | 192 Ų | 192 | 126.5 Ų | 126.5 | 90% | 0.897 | 73% | 0.732 | S | S | * | * | -158.4 | 167.7 | 130 | -110.2 | -177.5 | 5.2 | 0 | 0 | 110.1 | |||||
| 296 | P | 34.7 | Very low | 35 | Very low | 120 Ų | 120 | 122.8 Ų | 122.8 | 78% | 0.779 | 72% | 0.721 | S | S | * | * | trans | -81.4 | 166.1 | -152.1 | 31.5 | -38.1 | 0 | 0 | 0 | 117 | ||||
| 297 | I | 32.3 | Very low | 35.8 | Very low | 159 Ų | 159 | 120.6 Ų | 120.6 | 82% | 0.815 | 71% | 0.709 | S | S | * | * | trans | -72 | 131.7 | -177.1 | -62 | 163.3 | 0 | 0 | 0 | 111.5 | ||||
| 298 | V | 33.1 | Very low | 36.6 | Very low | 133 Ų | 133 | 116.9 Ų | 116.9 | 81% | 0.806 | 70% | 0.701 | S | S | * | * | trans | -125.7 | 112.3 | 159.3 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 299 | P | 35.3 | Very low | 37.9 | Very low | 117 Ų | 117 | 119.4 Ų | 119.4 | 76% | 0.76 | 70% | 0.697 | S | S | * | * | trans | -80.7 | 132.3 | 178.8 | 31.8 | -31.4 | 0 | 0 | 0 | 111 | ||||
| 300 | G | 39.1 | Very low | 39.1 | Very low | 65 Ų | 65 | 114.6 Ų | 114.6 | 67% | 0.67 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 147 | -35.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | A302 | G300-A302 PolarHBondContact O-N 2.94Š|
| 301 | A | 36.6 | Very low | 40.5 | Very low | 92 Ų | 92 | 113.8 Ų | 113.8 | 76% | 0.76 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -76.7 | -22.4 | -166.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 302 | A | 39.3 | Very low | 41.5 | Very low | 82 Ų | 82 | 111.5 Ų | 111.5 | 68% | 0.678 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -73.8 | -34 | -164.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | G300 | G300-A302 PolarHBondContact O-N 2.94Å |
| 303 | Q | 41.7 | Very low | 43 | Very low | 161 Ų | 161 | 103.7 Ų | 103.7 | 75% | 0.752 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -77.9 | -26.2 | -175.2 | -74.1 | 164.7 | -52.1 | 0 | 0 | 113.3 | A305 T306 C307 | Q303-A305 PolarHBondContact O-N 2.74Å; Q303-T306 PolarHBondContact O-OG1 3.34Å; Q303-C307 PolarHBondContact O-N 3.18Å |
| 304 | G | 42.5 | Very low | 44.3 | Very low | 40 Ų | 40 | 99.2 Ų | 99.2 | 41% | 0.412 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -64.9 | -38.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | C308 | G304-C308 WeakPolarHBondContact O-CB 3.38Å; G304-C308 PolarHBondContact O-N 3.48Å; G304-C308 PolarHBondContact O-SG 3.44Å |
| 305 | A | 44.4 | Very low | 45.6 | Very low | 56 Ų | 56 | 99 Ų | 99 | 46% | 0.463 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.1 | -45.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q303 C308 Q309 | Q303-A305 PolarHBondContact O-N 2.74Å; A305-C308 PolarHBondContact O-N 2.92Å; A305-Q309 WeakPolarHBondContact O-CG 3.33Å; A305-Q309 PolarHBondContact O-N 3.03Å |
| 306 | T | 49.9 | Very low | 47 | Very low | 79 Ų | 79 | 95.9 Ų | 95.9 | 49% | 0.485 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68.9 | -40.7 | 178.6 | 46.3 | 0 | 0 | 0 | 0 | 111.9 | Q303 Q309 I310 | Q303-T306 PolarHBondContact O-OG1 3.34Å; T306-Q309 PolarHBondContact O-N 2.97Å; T306-I310 WeakPolarHBondContact O-CG1 3.46Å; T306-I310 PolarHBondContact O-N 3.44Å |
| 307 | C | 45.8 | Very low | 48.2 | Very low | 75 Ų | 75 | 91.7 Ų | 91.7 | 51% | 0.507 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -58.8 | -48.7 | 173.3 | -171.5 | 0 | 0 | 0 | 0 | 111.4 | Q303 Q309 I310 V311 | Q303-C307 PolarHBondContact O-N 3.18Å; C307-Q309 VanDerWaalsContact C-N 3.35Å; C307-Q309 PolarHBondContact O-N 3.3Å; C307-I310 PolarHBondContact O-N 3.21Å; C307-V311 WeakPolarHBondContact O-CG2 3.36Å; C307-V311 PolarHBondContact O-N 2.97Å |
| 308 | C | 46.5 | Very low | 49.6 | Very low | 86 Ų | 86 | 85 Ų | 85 | 58% | 0.581 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.1 | -38 | 178 | -69.5 | 0 | 0 | 0 | 0 | 112.9 | G304 A305 S312 | G304-C308 WeakPolarHBondContact O-CB 3.38Å; G304-C308 PolarHBondContact O-N 3.48Å; G304-C308 PolarHBondContact O-SG 3.44Å; A305-C308 PolarHBondContact O-N 2.92Å; C308-S312 WeakPolarHBondContact O-CB 3.27Å; C308-S312 PolarHBondContact O-N 3.43Å |
| 309 | Q | 53.5 | Low | 51 | Low | 142 Ų | 142 | 80.4 Ų | 80.4 | 66% | 0.664 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.8 | -42.8 | 174.8 | -76.8 | -175.6 | -4.5 | 0 | 0 | 112.4 | A305 T306 C307 S312 S313 | A305-Q309 WeakPolarHBondContact O-CG 3.33Å; A305-Q309 PolarHBondContact O-N 3.03Å; T306-Q309 PolarHBondContact O-N 2.97Å; C307-Q309 VanDerWaalsContact C-N 3.35Å; C307-Q309 PolarHBondContact O-N 3.3Å; Q309-S312 PolarHBondContact O-N 2.89Å; Q309-S313 WeakPolarHBondContact O-CB 3.14Å; Q309-S313 PolarHBondContact O-N 3.32Å |
| 310 | I | 57.9 | Low | 52.6 | Low | 105 Ų | 105 | 81.6 Ų | 81.6 | 54% | 0.538 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.8 | -51.7 | 176 | -68.4 | 165.6 | 0 | 0 | 0 | 110 | T306 C307 S312 S313 V314 | T306-I310 WeakPolarHBondContact O-CG1 3.46Å; T306-I310 PolarHBondContact O-N 3.44Å; C307-I310 PolarHBondContact O-N 3.21Å; I310-S312 VanDerWaalsContact C-N 3.33Å; I310-S312 PolarHBondContact O-N 3.34Å; I310-S313 PolarHBondContact O-N 2.87Å; I310-S313 VanDerWaalsContact O-N 3.1Å; I310-S313 PolarHBondContact O-OG 3.34Å; I310-V314 WeakPolarHBondContact O-CG2 3.37Å; I310-V314 PolarHBondContact O-N 2.89Å |
| 311 | V | 57.7 | Low | 54 | Low | 77 Ų | 77 | 79.4 Ų | 79.4 | 47% | 0.467 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.3 | -43.1 | 177.9 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | C307 S313 V314 N315 | C307-V311 WeakPolarHBondContact O-CG2 3.36Å; C307-V311 PolarHBondContact O-N 2.97Å; V311-S313 PolarHBondContact O-N 3.01Å; V311-V314 PolarHBondContact O-N 3.22Å; V311-N315 WeakPolarHBondContact CG1-ND2 3.35Å; V311-N315 VanDerWaalsContact O-CB 3.31Å; V311-N315 WeakPolarHBondContact O-CB 3.26Å; V311-N315 VanDerWaalsContact O-CG 3.29Å; V311-N315 PolarHBondContact O-N 3Å; V311-N315 PolarHBondContact O-ND2 3.46Å |
| 312 | S | 55.9 | Low | 55.8 | Low | 75 Ų | 75 | 77.8 Ų | 77.8 | 52% | 0.524 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 174.8 | -176.2 | 0 | 0 | 0 | 0 | 112.3 | C308 Q309 I310 N315 L316 | C308-S312 WeakPolarHBondContact O-CB 3.27Å; C308-S312 PolarHBondContact O-N 3.43Å; Q309-S312 PolarHBondContact O-N 2.89Å; I310-S312 VanDerWaalsContact C-N 3.33Å; I310-S312 PolarHBondContact O-N 3.34Å; S312-N315 PolarHBondContact O-N 3.16Å; S312-L316 WeakPolarHBondContact O-CB 3.48Å; S312-L316 PolarHBondContact O-N 3.45Å |
| 313 | S | 58.8 | Low | 57.7 | Low | 69 Ų | 69 | 80.4 Ų | 80.4 | 48% | 0.483 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 178.4 | 78.9 | 0 | 0 | 0 | 0 | 112.7 | Q309 I310 V311 L316 A317 | Q309-S313 WeakPolarHBondContact O-CB 3.14Å; Q309-S313 PolarHBondContact O-N 3.32Å; I310-S313 PolarHBondContact O-N 2.87Å; I310-S313 VanDerWaalsContact O-N 3.1Å; I310-S313 PolarHBondContact O-OG 3.34Å; V311-S313 PolarHBondContact O-N 3.01Å; S313-L316 PolarHBondContact O-N 3.48Å; S313-A317 WeakPolarHBondContact O-CB 3.25Å; S313-A317 PolarHBondContact O-N 2.92Å |
| 314 | V | 60.9 | Low | 59.7 | Low | 55 Ų | 55 | 74.2 Ų | 74.2 | 33% | 0.333 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -68.1 | -40.8 | 177.2 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | I310 V311 A317 T318 | I310-V314 WeakPolarHBondContact O-CG2 3.37Å; I310-V314 PolarHBondContact O-N 2.89Å; V311-V314 PolarHBondContact O-N 3.22Å; V314-A317 PolarHBondContact O-N 2.89Å; V314-T318 VanDerWaalsContact O-CB 3.26Å; V314-T318 WeakPolarHBondContact O-CB 3.21Å; V314-T318 PolarHBondContact O-N 2.98Å; V314-T318 PolarHBondContact O-OG1 3.32Å |
| 315 | N | 60.8 | Low | 61.7 | Low | 98 Ų | 98 | 72.9 Ų | 72.9 | 52% | 0.524 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 174.7 | -77.6 | -30.4 | 0 | 0 | 0 | 112 | V311 S312 T318 A319 | V311-N315 WeakPolarHBondContact CG1-ND2 3.35Å; V311-N315 VanDerWaalsContact O-CB 3.31Å; V311-N315 WeakPolarHBondContact O-CB 3.26Å; V311-N315 VanDerWaalsContact O-CG 3.29Å; V311-N315 PolarHBondContact O-N 3Å; V311-N315 PolarHBondContact O-ND2 3.46Å; S312-N315 PolarHBondContact O-N 3.16Å; N315-T318 PolarHBondContact O-N 2.94Å; N315-A319 VanDerWaalsContact O-CB 3.23Å; N315-A319 WeakPolarHBondContact O-CB 3.28Å; N315-A319 PolarHBondContact O-N 3.25Å |
| 316 | L | 61.1 | Low | 63.7 | Low | 127 Ų | 127 | 73.5 Ų | 73.5 | 67% | 0.665 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -66.5 | -40.8 | 176.9 | -177.2 | 60.5 | 0 | 0 | 0 | 112.2 | S312 S313 A319 K320 | S312-L316 WeakPolarHBondContact O-CB 3.48Å; S312-L316 PolarHBondContact O-N 3.45Å; S313-L316 PolarHBondContact O-N 3.48Å; L316-A319 PolarHBondContact O-N 2.88Å; L316-K320 PolarHBondContact O-N 3.47Å |
| 317 | A | 59.5 | Low | 65.5 | Low | 33 Ų | 33 | 70.9 Ų | 70.9 | 27% | 0.273 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.9 | -48.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S313 V314 A319 K320 D321 | S313-A317 WeakPolarHBondContact O-CB 3.25Å; S313-A317 PolarHBondContact O-N 2.92Å; V314-A317 PolarHBondContact O-N 2.89Å; A317-A319 VanDerWaalsContact C-N 3.31Å; A317-A319 PolarHBondContact O-N 3.27Å; A317-K320 WeakPolarHBondContact O-CA 3.12Å; A317-K320 WeakPolarHBondContact O-CB 3.2Å; A317-K320 PolarHBondContact O-N 3.41Å; A317-D321 PolarHBondContact O-N 3.12Å |
| 318 | T | 61 | Low | 67.5 | Low | 18 Ų | 18 | 67.7 Ų | 67.7 | 11% | 0.11 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.2 | -38.4 | 176.6 | -61.4 | 0 | 0 | 0 | 0 | 112.4 | K238 V314 N315 K320 S322 | K238-T318 VanDerWaalsContact CE-CG2 3.42Å; V314-T318 VanDerWaalsContact O-CB 3.26Å; V314-T318 WeakPolarHBondContact O-CB 3.21Å; V314-T318 PolarHBondContact O-N 2.98Å; V314-T318 PolarHBondContact O-OG1 3.32Å; N315-T318 PolarHBondContact O-N 2.94Å; T318-K320 VanDerWaalsContact C-N 3.27Å; T318-K320 PolarHBondContact O-N 3.48Å; T318-S322 WeakPolarHBondContact O-CB 3.33Å; T318-S322 PolarHBondContact O-N 2.76Å; T318-S322 PolarHBondContact O-OG 2.98Å |
| 319 | A | 62.3 | Low | 69.6 | Low | 36 Ų | 36 | 66.9 Ų | 66.9 | 30% | 0.298 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -72.2 | -18.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N315 L316 A317 S322 K323 | N315-A319 VanDerWaalsContact O-CB 3.23Å; N315-A319 WeakPolarHBondContact O-CB 3.28Å; N315-A319 PolarHBondContact O-N 3.25Å; L316-A319 PolarHBondContact O-N 2.88Å; A317-A319 VanDerWaalsContact C-N 3.31Å; A317-A319 PolarHBondContact O-N 3.27Å; A319-S322 PolarHBondContact O-OG 3.4Å; A319-K323 WeakPolarHBondContact O-CD 3.47Å; A319-K323 WeakPolarHBondContact O-CE 3.47Å; A319-K323 WeakPolarHBondContact O-CG 3.42Å |
| 320 | K | 68.6 | Low | 71.4 | Confident | 142 Ų | 142 | 63.1 Ų | 63.1 | 62% | 0.617 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -85.6 | -46.5 | 172 | -175 | -179.9 | 177.5 | -178.3 | 0 | 110.9 | L316 A317 T318 S322 K323 A324 | L316-K320 PolarHBondContact O-N 3.47Å; A317-K320 WeakPolarHBondContact O-CA 3.12Å; A317-K320 WeakPolarHBondContact O-CB 3.2Å; A317-K320 PolarHBondContact O-N 3.41Å; T318-K320 VanDerWaalsContact C-N 3.27Å; T318-K320 PolarHBondContact O-N 3.48Å; K320-S322 PolarHBondContact O-N 2.91Å; K320-K323 PolarHBondContact O-N 2.94Å; K320-A324 PolarHBondContact O-N 3.46Å |
| 321 | D | 68.6 | Low | 73 | Confident | 19 Ų | 19 | 58.8 Ų | 58.8 | 10% | 0.102 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 178.7 | -65 | -24.3 | 0 | 0 | 0 | 111.3 | A234 R237 A317 K323 A324 V325 | A234-D321 HydrophobicContact CB-CB 4.12Å; R237-D321 IonicContact CZ-OD2 3.94Å; R237-D321 IonicContact NH1-OD1 3.27Å; R237-D321 PolarHBondContact NH1-OD1 2.99Å; R237-D321 IonicContact NH1-OD2 3.53Å; R237-D321 PolarHBondContact NH1-OD2 3.29Å; A317-D321 PolarHBondContact O-N 3.12Å; D321-K323 PolarHBondContact O-N 3.47Å; D321-A324 WeakPolarHBondContact O-CB 3.49Å; D321-A324 PolarHBondContact O-N 3.24Å; D321-V325 WeakPolarHBondContact O-CG2 3.41Å; D321-V325 PolarHBondContact O-N 2.86Å |
| 322 | S | 74.8 | Confident | 74.7 | Confident | 58 Ų | 58 | 55.7 Ų | 55.7 | 41% | 0.406 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 176.1 | 58.4 | 0 | 0 | 0 | 0 | 112.8 | T318 A319 K320 A324 V325 V326 | T318-S322 WeakPolarHBondContact O-CB 3.33Å; T318-S322 PolarHBondContact O-N 2.76Å; T318-S322 PolarHBondContact O-OG 2.98Å; A319-S322 PolarHBondContact O-OG 3.4Å; K320-S322 PolarHBondContact O-N 2.91Å; S322-A324 VanDerWaalsContact C-N 3.32Å; S322-A324 PolarHBondContact O-N 3.41Å; S322-V325 PolarHBondContact O-N 2.97Å; S322-V326 WeakPolarHBondContact O-CG2 3.37Å; S322-V326 PolarHBondContact O-N 3.39Å |
| 323 | K | 80.4 | Confident | 76.5 | Confident | 138 Ų | 138 | 58.7 Ų | 58.7 | 60% | 0.6 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63.9 | -36.8 | 174.1 | -72.8 | 171.9 | -169.8 | 168.3 | 0 | 112 | A319 K320 D321 V326 T327 | A319-K323 WeakPolarHBondContact O-CD 3.47Å; A319-K323 WeakPolarHBondContact O-CE 3.47Å; A319-K323 WeakPolarHBondContact O-CG 3.42Å; K320-K323 PolarHBondContact O-N 2.94Å; D321-K323 PolarHBondContact O-N 3.47Å; K323-V326 PolarHBondContact O-N 3.36Å; K323-T327 PolarHBondContact O-N 2.96Å; K323-T327 PolarHBondContact O-OG1 3.39Å |
| 324 | A | 81.8 | Confident | 78.1 | Confident | 31 Ų | 31 | 56.4 Ų | 56.4 | 26% | 0.256 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.8 | -43.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L230 K320 D321 S322 V326 T327 C328 | L230-A324 HydrophobicContact CD1-CB 3.88Å; K320-A324 PolarHBondContact O-N 3.46Å; D321-A324 WeakPolarHBondContact O-CB 3.49Å; D321-A324 PolarHBondContact O-N 3.24Å; S322-A324 VanDerWaalsContact C-N 3.32Å; S322-A324 PolarHBondContact O-N 3.41Å; A324-V326 VanDerWaalsContact C-N 3.33Å; A324-V326 PolarHBondContact O-N 3.02Å; A324-T327 WeakPolarHBondContact CA-OG1 3.42Å; A324-T327 PolarHBondContact O-N 3.44Å; A324-T327 VanDerWaalsContact O-N 3.16Å; A324-T327 PolarHBondContact O-OG1 3.4Å; A324-C328 PolarHBondContact O-N 2.82Å; A324-C328 PolarHBondContact O-SG 2.9Å |
| 325 | V | 85.9 | Confident | 79.6 | Confident | 11 Ų | 11 | 54.3 Ų | 54.3 | 7% | 0.067 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.7 | -44.7 | 172.6 | 168.1 | 0 | 0 | 0 | 0 | 111.2 | L230 R231 D321 S322 T327 C328 V329 | L230-V325 HydrophobicContact CB-CG2 3.57Å; L230-V325 HydrophobicContact CD1-CG2 4.37Å; R231-V325 HydrophobicContact CG-CG1 3.93Å; R231-V325 HydrophobicContact CG-CG2 3.9Å; D321-V325 WeakPolarHBondContact O-CG2 3.41Å; D321-V325 PolarHBondContact O-N 2.86Å; S322-V325 PolarHBondContact O-N 2.97Å; V325-T327 PolarHBondContact O-N 3.43Å; V325-C328 PolarHBondContact O-N 3.26Å; V325-V329 WeakPolarHBondContact O-CG2 3.26Å; V325-V329 PolarHBondContact O-N 3.1Å; V325-V329 VanDerWaalsContact O-N 3.07Å |
| 326 | V | 86.7 | Confident | 81.2 | Confident | 70 Ų | 70 | 52.5 Ų | 52.5 | 42% | 0.424 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 176 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | S322 K323 A324 C328 V329 V330 | S322-V326 WeakPolarHBondContact O-CG2 3.37Å; S322-V326 PolarHBondContact O-N 3.39Å; K323-V326 PolarHBondContact O-N 3.36Å; A324-V326 VanDerWaalsContact C-N 3.33Å; A324-V326 PolarHBondContact O-N 3.02Å; V326-C328 VanDerWaalsContact C-N 3.33Å; V326-C328 PolarHBondContact O-N 2.87Å; V326-V329 PolarHBondContact O-N 3.39Å; V326-V330 HydrophobicContact CG1-CG2 4.42Å; V326-V330 WeakPolarHBondContact O-CG2 3.08Å; V326-V330 PolarHBondContact O-N 3.01Å |
| 327 | T | 86.9 | Confident | 82.8 | Confident | 23 Ų | 23 | 49.9 Ų | 49.9 | 14% | 0.141 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62 | -38.8 | 174.2 | 44.2 | 0 | 0 | 0 | 0 | 112.9 | K323 A324 V325 V330 I331 R383 | K323-T327 PolarHBondContact O-N 2.96Å; K323-T327 PolarHBondContact O-OG1 3.39Å; A324-T327 WeakPolarHBondContact CA-OG1 3.42Å; A324-T327 PolarHBondContact O-N 3.44Å; A324-T327 VanDerWaalsContact O-N 3.16Å; A324-T327 PolarHBondContact O-OG1 3.4Å; V325-T327 PolarHBondContact O-N 3.43Å; T327-V330 PolarHBondContact O-N 3.46Å; T327-I331 WeakPolarHBondContact O-CD1 3.35Å; T327-I331 WeakPolarHBondContact O-CG1 3.32Å; T327-I331 PolarHBondContact O-N 3.47Å; T327-R383 HydrophobicContact CG2-CB 4.26Å; T327-R383 HydrophobicContact CG2-CG 3.63Å |
| 328 | C | 88.9 | Confident | 84.5 | Confident | 8 Ų | 8 | 48.3 Ų | 48.3 | 5% | 0.054 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65 | -40.9 | 177 | -61.3 | 0 | 0 | 0 | 0 | 112.2 | Y223 I226 A227 A324 V325 V326 I331 V332 | Y223-C328 HydrophobicContact CD1-CB 4.27Å; I226-C328 VanDerWaalsContact CG2-SG 3.6Å; A227-C328 HydrophobicContact CB-CB 3.93Å; A324-C328 PolarHBondContact O-N 2.82Å; A324-C328 PolarHBondContact O-SG 2.9Å; V325-C328 PolarHBondContact O-N 3.26Å; V326-C328 VanDerWaalsContact C-N 3.33Å; V326-C328 PolarHBondContact O-N 2.87Å; C328-I331 PolarHBondContact O-N 3.05Å; C328-V332 WeakPolarHBondContact O-CG2 3.39Å; C328-V332 PolarHBondContact O-N 3.48Å; C328-V332 VanDerWaalsContact O-N 3.1Å |
| 329 | V | 89.9 | Confident | 86 | Confident | 69 Ų | 69 | 47.5 Ų | 47.5 | 42% | 0.418 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.3 | -43 | 175.8 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | V325 V326 I331 V332 F333 | V325-V329 WeakPolarHBondContact O-CG2 3.26Å; V325-V329 PolarHBondContact O-N 3.1Å; V325-V329 VanDerWaalsContact O-N 3.07Å; V326-V329 PolarHBondContact O-N 3.39Å; V329-I331 PolarHBondContact O-N 3.02Å; V329-V332 PolarHBondContact O-N 3.25Å; V329-F333 WeakPolarHBondContact O-CB 3.47Å; V329-F333 PolarHBondContact O-N 2.67Å |
| 330 | V | 90.9 | Very high | 87.5 | Confident | 64 Ų | 64 | 50.1 Ų | 50.1 | 39% | 0.388 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 175.8 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | V326 T327 V332 F333 S334 | V326-V330 HydrophobicContact CG1-CG2 4.42Å; V326-V330 WeakPolarHBondContact O-CG2 3.08Å; V326-V330 PolarHBondContact O-N 3.01Å; T327-V330 PolarHBondContact O-N 3.46Å; V330-V332 PolarHBondContact O-N 2.86Å; V330-F333 PolarHBondContact O-N 2.81Å; V330-S334 WeakPolarHBondContact O-CB 3.36Å; V330-S334 PolarHBondContact O-N 3.44Å; V330-S334 PolarHBondContact O-OG 2.79Å; V330-S334 VanDerWaalsContact O-OG 3.12Å |
| 331 | I | 91.4 | Very high | 88.7 | Confident | 14 Ų | 14 | 44.5 Ų | 44.5 | 7% | 0.072 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.3 | -47.8 | 177.4 | -66 | 161.1 | 0 | 0 | 0 | 111.2 | Y223 T327 C328 V329 F333 S334 V335 V380 | Y223-I331 HydrophobicContact CD1-CD1 3.99Å; Y223-I331 HydrophobicContact CD2-CB 4.43Å; Y223-I331 HydrophobicContact CD2-CG2 3.58Å; Y223-I331 HydrophobicContact CE1-CD1 3.59Å; Y223-I331 HydrophobicContact CE2-CD1 4.41Å; Y223-I331 HydrophobicContact CE2-CG2 3.62Å; Y223-I331 HydrophobicContact CG-CB 4.46Å; Y223-I331 HydrophobicContact CG-CG2 4.08Å; T327-I331 WeakPolarHBondContact O-CD1 3.35Å; T327-I331 WeakPolarHBondContact O-CG1 3.32Å; T327-I331 PolarHBondContact O-N 3.47Å; C328-I331 PolarHBondContact O-N 3.05Å; V329-I331 PolarHBondContact O-N 3.02Å; I331-F333 PolarHBondContact O-N 3.49Å; I331-S334 PolarHBondContact O-N 3.29Å; I331-V335 HydrophobicContact CG2-CG2 4.32Å; I331-V335 WeakPolarHBondContact O-CB 3.48Å; I331-V335 VanDerWaalsContact O-CG2 3.27Å; I331-V335 WeakPolarHBondContact O-CG2 3.29Å; I331-V335 PolarHBondContact O-N 3.35Å; I331-V380 HydrophobicContact CD1-CG1 3.58Å; I331-V380 HydrophobicContact CG1-CB 4.41Å; I331-V380 HydrophobicContact CG1-CG1 3.55Å; I331-V380 HydrophobicContact CG1-CG2 3.94Å |
| 332 | V | 93.3 | Very high | 89.7 | Confident | 12 Ų | 12 | 43.9 Ų | 43.9 | 7% | 0.073 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.2 | -46.2 | 178.7 | 175.8 | 0 | 0 | 0 | 0 | 110.6 | L224 C328 V329 V330 V335 L336 | L224-V332 HydrophobicContact CD2-CG1 4.46Å; L224-V332 HydrophobicContact CD2-CG2 4.43Å; L224-V332 HydrophobicContact CG-CG1 4.4Å; L224-V332 HydrophobicContact CG-CG2 4.17Å; C328-V332 WeakPolarHBondContact O-CG2 3.39Å; C328-V332 PolarHBondContact O-N 3.48Å; C328-V332 VanDerWaalsContact O-N 3.1Å; V329-V332 PolarHBondContact O-N 3.25Å; V330-V332 PolarHBondContact O-N 2.86Å; V332-V335 PolarHBondContact O-N 2.7Å; V332-L336 HydrophobicContact CG1-CD1 3.85Å; V332-L336 HydrophobicContact CG1-CG 4.36Å; V332-L336 VanDerWaalsContact O-CG 3.28Å; V332-L336 WeakPolarHBondContact O-CG 3.46Å; V332-L336 PolarHBondContact O-N 3.08Å |
| 333 | F | 93.5 | Very high | 90.4 | Very high | 138 Ų | 138 | 41.9 Ų | 41.9 | 61% | 0.605 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -61.9 | -45.1 | 177.9 | -176.8 | -97 | 0 | 0 | 0 | 112.4 | V329 V330 I331 V335 L336 L337 | V329-F333 WeakPolarHBondContact O-CB 3.47Å; V329-F333 PolarHBondContact O-N 2.67Å; V330-F333 PolarHBondContact O-N 2.81Å; I331-F333 PolarHBondContact O-N 3.49Å; F333-V335 PolarHBondContact O-N 2.86Å; F333-L336 PolarHBondContact O-N 3.4Å; F333-L337 HydrophobicContact CE1-CD1 3.83Å; F333-L337 HydrophobicContact CZ-CD1 3.96Å; F333-L337 VanDerWaalsContact O-CB 3.29Å; F333-L337 WeakPolarHBondContact O-CB 3.16Å; F333-L337 PolarHBondContact O-N 3.13Å |
| 334 | S | 92.9 | Very high | 90.9 | Very high | 20 Ų | 20 | 38.2 Ų | 38.2 | 14% | 0.14 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.8 | -43 | 176.5 | -66.6 | 0 | 0 | 0 | 0 | 112.4 | V330 I331 L337 C338 | V330-S334 WeakPolarHBondContact O-CB 3.36Å; V330-S334 PolarHBondContact O-N 3.44Å; V330-S334 PolarHBondContact O-OG 2.79Å; V330-S334 VanDerWaalsContact O-OG 3.12Å; I331-S334 PolarHBondContact O-N 3.29Å; S334-L337 PolarHBondContact O-N 3.03Å; S334-C338 VanDerWaalsContact O-CB 3.27Å; S334-C338 WeakPolarHBondContact O-CB 3.49Å; S334-C338 PolarHBondContact O-N 3.07Å; S334-C338 PolarHBondContact O-SG 3.46Å |
| 335 | V | 92.8 | Very high | 91.1 | Very high | 11 Ų | 11 | 36.7 Ų | 36.7 | 7% | 0.067 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.2 | -43.1 | 177.9 | 169.1 | 0 | 0 | 0 | 0 | 111.2 | V216 V219 I331 V332 F333 C339 | V216-V335 HydrophobicContact CG1-CG1 4.28Å; V219-V335 HydrophobicContact CG1-CG1 4.24Å; V219-V335 HydrophobicContact CG1-CG2 3.91Å; I331-V335 HydrophobicContact CG2-CG2 4.32Å; I331-V335 WeakPolarHBondContact O-CB 3.48Å; I331-V335 VanDerWaalsContact O-CG2 3.27Å; I331-V335 WeakPolarHBondContact O-CG2 3.29Å; I331-V335 PolarHBondContact O-N 3.35Å; V332-V335 PolarHBondContact O-N 2.7Å; F333-V335 PolarHBondContact O-N 2.86Å; V335-C339 WeakPolarHBondContact O-CB 3.48Å; V335-C339 PolarHBondContact O-N 2.66Å; V335-C339 PolarHBondContact O-SG 2.96Å; V335-C339 VanDerWaalsContact O-SG 3.35Å |
| 336 | L | 94 | Very high | 91 | Very high | 60 Ų | 60 | 36.2 Ų | 36.2 | 31% | 0.314 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.3 | -45.5 | 176.6 | -66.4 | 173 | 0 | 0 | 0 | 111.5 | V332 F333 C338 L340 | V332-L336 HydrophobicContact CG1-CD1 3.85Å; V332-L336 HydrophobicContact CG1-CG 4.36Å; V332-L336 VanDerWaalsContact O-CG 3.28Å; V332-L336 WeakPolarHBondContact O-CG 3.46Å; V332-L336 PolarHBondContact O-N 3.08Å; F333-L336 PolarHBondContact O-N 3.4Å; L336-C338 PolarHBondContact O-N 3.2Å; L336-L340 HydrophobicContact CB-CD1 3.89Å; L336-L340 HydrophobicContact CB-CG 4.25Å; L336-L340 HydrophobicContact CD2-CD1 4Å; L336-L340 HydrophobicContact CD2-CD2 4.26Å; L336-L340 HydrophobicContact CD2-CG 4.08Å; L336-L340 HydrophobicContact CG-CD1 4.48Å; L336-L340 WeakPolarHBondContact O-CB 3.4Å; L336-L340 WeakPolarHBondContact O-CG 3.47Å; L336-L340 PolarHBondContact O-N 2.91Å |
| 337 | L | 94.5 | Very high | 91 | Very high | 72 Ų | 72 | 34.2 Ų | 34.2 | 38% | 0.377 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64 | -37 | 178.8 | -178.7 | 143.6 | 0 | 0 | 0 | 112.9 | F333 S334 P341 L369 | F333-L337 HydrophobicContact CE1-CD1 3.83Å; F333-L337 HydrophobicContact CZ-CD1 3.96Å; F333-L337 VanDerWaalsContact O-CB 3.29Å; F333-L337 WeakPolarHBondContact O-CB 3.16Å; F333-L337 PolarHBondContact O-N 3.13Å; S334-L337 PolarHBondContact O-N 3.03Å; L337-P341 WeakPolarHBondContact O-CD 3.34Å; L337-L369 HydrophobicContact CD2-CD2 4.09Å |
| 338 | C | 95.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -82.3 | -35.2 | -179.3 | -62.5 | 0 | 0 | 0 | 0 | 113.4 | S334 L336 L369 I370 K373 | S334-C338 VanDerWaalsContact O-CB 3.27Å; S334-C338 WeakPolarHBondContact O-CB 3.49Å; S334-C338 PolarHBondContact O-N 3.07Å; S334-C338 PolarHBondContact O-SG 3.46Å; L336-C338 PolarHBondContact O-N 3.2Å; C338-L369 WeakPolarHBondContact CB-O 3.41Å; C338-L369 CarbonylContact O-C 3.56Å; C338-I370 PolarHBondContact O-N 2.66Å; C338-K373 HydrophobicContact CB-CB 3.86Å |
| 339 | C | 93.9 | Very high | 90.3 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.007 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -102.5 | -27.6 | -170.2 | -55.8 | 0 | 0 | 0 | 0 | 114.5 | F212 V216 V335 G343 I370 | F212-C339 HydrophobicContact CE1-CB 4.17Å; F212-C339 WeakPolarHBondContact CE1-O 3.33Å; F212-C339 HydrophobicContact CZ-CB 3.82Å; F212-C339 WeakPolarHBondContact CZ-O 3.4Å; V216-C339 HydrophobicContact CG2-CB 3.57Å; V335-C339 WeakPolarHBondContact O-CB 3.48Å; V335-C339 PolarHBondContact O-N 2.66Å; V335-C339 PolarHBondContact O-SG 2.96Å; V335-C339 VanDerWaalsContact O-SG 3.35Å; C339-G343 PolarHBondContact O-N 3.08Å; C339-I370 HydrophobicContact CB-CD1 4.35Å; C339-I370 VanDerWaalsContact SG-CD1 3.52Å |
| 340 | L | 93.4 | Very high | 89.7 | Confident | 92 Ų | 92 | 34.3 Ų | 34.3 | 48% | 0.482 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.4 | -44.9 | -178.4 | -71.3 | 176.4 | 0 | 0 | 0 | 113.4 | L336 M342 G343 V344 | L336-L340 HydrophobicContact CB-CD1 3.89Å; L336-L340 HydrophobicContact CB-CG 4.25Å; L336-L340 HydrophobicContact CD2-CD1 4Å; L336-L340 HydrophobicContact CD2-CD2 4.26Å; L336-L340 HydrophobicContact CD2-CG 4.08Å; L336-L340 HydrophobicContact CG-CD1 4.48Å; L336-L340 WeakPolarHBondContact O-CB 3.4Å; L336-L340 WeakPolarHBondContact O-CG 3.47Å; L336-L340 PolarHBondContact O-N 2.91Å; L340-M342 VanDerWaalsContact C-N 3.34Å; L340-M342 PolarHBondContact O-N 3.48Å; L340-G343 PolarHBondContact O-N 3.32Å; L340-V344 WeakPolarHBondContact O-CB 3.48Å; L340-V344 VanDerWaalsContact O-CG2 3.3Å; L340-V344 WeakPolarHBondContact O-CG2 3.37Å; L340-V344 PolarHBondContact O-N 3.25Å |
| 341 | P | 92.2 | Very high | 89.2 | Confident | 23 Ų | 23 | 38 Ų | 38 | 15% | 0.149 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.4 | -43.2 | -177.7 | -24.1 | 36.5 | 0 | 0 | 0 | 111.9 | L337 V344 S345 F362 L369 | L337-P341 WeakPolarHBondContact O-CD 3.34Å; P341-V344 PolarHBondContact O-N 3.35Å; P341-S345 PolarHBondContact O-N 2.72Å; P341-F362 HydrophobicContact CB-CE1 4.39Å; P341-F362 HydrophobicContact CB-CE2 4.23Å; P341-F362 HydrophobicContact CB-CZ 3.87Å; P341-F362 VanDerWaalsContact O-CE1 3.22Å; P341-F362 WeakPolarHBondContact O-CE1 3.49Å; P341-L369 HydrophobicContact CB-CD1 4.36Å; P341-L369 HydrophobicContact CG-CD1 3.88Å |
| 342 | M | 90.4 | Very high | 88.4 | Confident | 7 Ų | 7 | 40.4 Ų | 40.4 | 3% | 0.034 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.8 | -46.4 | 174.5 | -173.7 | 59.5 | -160.7 | 0 | 0 | 112.2 | F212 L340 V344 S345 L346 F367 I370 | F212-M342 HydrophobicContact CE2-CG 4.47Å; F212-M342 HydrophobicContact CZ-CB 4.22Å; F212-M342 HydrophobicContact CZ-CG 4.26Å; L340-M342 VanDerWaalsContact C-N 3.34Å; L340-M342 PolarHBondContact O-N 3.48Å; M342-V344 VanDerWaalsContact C-N 3.32Å; M342-V344 PolarHBondContact O-N 2.9Å; M342-S345 PolarHBondContact O-N 2.85Å; M342-L346 HydrophobicContact CE-CD1 3.93Å; M342-L346 HydrophobicContact CE-CD2 3.83Å; M342-L346 HydrophobicContact CE-CG 3.78Å; M342-L346 HydrophobicContact CG-CD1 4.42Å; M342-L346 WeakPolarHBondContact O-CG 3.46Å; M342-L346 PolarHBondContact O-N 3.34Å; M342-F367 HydrophobicContact CE-CD2 4.01Å; M342-F367 HydrophobicContact CE-CE1 3.89Å; M342-F367 HydrophobicContact CE-CE2 3.29Å; M342-F367 HydrophobicContact CE-CZ 3.22Å; M342-F367 HydrophobicContact SD-CD1 4.46Å; M342-F367 HydrophobicContact SD-CD2 3.65Å; M342-F367 HydrophobicContact SD-CE1 4.41Å; M342-F367 HydrophobicContact SD-CE2 3.57Å; M342-F367 VanDerWaalsContact SD-CE2 3.57Å; M342-F367 HydrophobicContact SD-CG 4.12Å; M342-F367 HydrophobicContact SD-CZ 3.98Å; M342-I370 HydrophobicContact CB-CB 4.36Å; M342-I370 HydrophobicContact CG-CB 4.41Å; M342-I370 HydrophobicContact CG-CG2 4.31Å |
| 343 | G | 89.6 | Confident | 87.2 | Confident | 15 Ų | 15 | 42.8 Ų | 42.8 | 16% | 0.155 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.7 | -32.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | C339 L340 A347 | C339-G343 PolarHBondContact O-N 3.08Å; L340-G343 PolarHBondContact O-N 3.32Å; G343-A347 WeakPolarHBondContact O-CB 3.4Å; G343-A347 PolarHBondContact O-N 2.98Å; G343-A347 VanDerWaalsContact O-N 3.12Å |
| 344 | V | 90.3 | Very high | 85.9 | Confident | 61 Ų | 61 | 44.3 Ų | 44.3 | 37% | 0.37 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -71.7 | -39.1 | 174.4 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | L340 P341 M342 A347 Q348 F362 | L340-V344 WeakPolarHBondContact O-CB 3.48Å; L340-V344 VanDerWaalsContact O-CG2 3.3Å; L340-V344 WeakPolarHBondContact O-CG2 3.37Å; L340-V344 PolarHBondContact O-N 3.25Å; P341-V344 PolarHBondContact O-N 3.35Å; M342-V344 VanDerWaalsContact C-N 3.32Å; M342-V344 PolarHBondContact O-N 2.9Å; V344-A347 PolarHBondContact O-N 3.08Å; V344-Q348 HydrophobicContact CG1-CG 4.49Å; V344-Q348 WeakPolarHBondContact O-CG 3.35Å; V344-Q348 PolarHBondContact O-N 2.9Å; V344-F362 HydrophobicContact CB-CE1 3.96Å; V344-F362 HydrophobicContact CB-CZ 4.2Å; V344-F362 HydrophobicContact CG1-CE1 3.78Å; V344-F362 HydrophobicContact CG1-CZ 4.06Å |
| 345 | S | 86.5 | Confident | 84.4 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.7 | -55 | 173.7 | -161.5 | 0 | 0 | 0 | 0 | 110.9 | P341 M342 A347 Q348 D349 E363 | P341-S345 PolarHBondContact O-N 2.72Å; M342-S345 PolarHBondContact O-N 2.85Å; S345-A347 PolarHBondContact O-N 2.98Å; S345-A347 VanDerWaalsContact O-N 3.13Å; S345-Q348 WeakPolarHBondContact O-CA 3.22Å; S345-Q348 WeakPolarHBondContact O-CB 3.3Å; S345-Q348 PolarHBondContact O-N 3.29Å; S345-D349 PolarHBondContact O-N 2.82Å; S345-D349 VanDerWaalsContact O-OD2 3.06Å; S345-E363 VanDerWaalsContact OG-CB 3.31Å; S345-E363 WeakPolarHBondContact OG-CB 3.21Å; S345-E363 WeakPolarHBondContact OG-CG 3.5Å |
| 346 | L | 84.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -54.9 | -35.9 | 177.3 | -68.4 | 170.4 | 0 | 0 | 0 | 112.9 | F194 L205 Y208 L209 M342 V350 | F194-L346 HydrophobicContact CD2-CD2 4.04Å; F194-L346 HydrophobicContact CE2-CD2 3.56Å; F194-L346 HydrophobicContact CZ-CD2 3.95Å; L205-L346 HydrophobicContact CD1-CD2 3.97Å; Y208-L346 HydrophobicContact CD1-CD1 4.3Å; Y208-L346 HydrophobicContact CE1-CD1 4.05Å; L209-L346 HydrophobicContact CD1-CB 3.92Å; M342-L346 HydrophobicContact CE-CD1 3.93Å; M342-L346 HydrophobicContact CE-CD2 3.83Å; M342-L346 HydrophobicContact CE-CG 3.78Å; M342-L346 HydrophobicContact CG-CD1 4.42Å; M342-L346 WeakPolarHBondContact O-CG 3.46Å; M342-L346 PolarHBondContact O-N 3.34Å; L346-V350 WeakPolarHBondContact O-CG2 3.37Å; L346-V350 PolarHBondContact O-N 3.42Å |
| 347 | A | 86.4 | Confident | 82.8 | Confident | 28 Ų | 28 | 52 Ų | 52 | 23% | 0.231 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.9 | -34.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L209 G343 V344 S345 L351 | L209-A347 HydrophobicContact CD2-CB 4.03Å; G343-A347 WeakPolarHBondContact O-CB 3.4Å; G343-A347 PolarHBondContact O-N 2.98Å; G343-A347 VanDerWaalsContact O-N 3.12Å; V344-A347 PolarHBondContact O-N 3.08Å; S345-A347 PolarHBondContact O-N 2.98Å; S345-A347 VanDerWaalsContact O-N 3.13Å; A347-L351 VanDerWaalsContact O-CB 3.32Å; A347-L351 WeakPolarHBondContact O-CB 3.31Å; A347-L351 WeakPolarHBondContact O-CD1 3.39Å; A347-L351 WeakPolarHBondContact O-CG 3.38Å; A347-L351 PolarHBondContact O-N 3.26Å |
| 348 | Q | 83.9 | Confident | 82 | Confident | 84 Ų | 84 | 53.2 Ų | 53.2 | 39% | 0.393 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -71 | -41.3 | 176.5 | -74.1 | 178.2 | 17.9 | 0 | 0 | 111.9 | V344 S345 V350 L351 S352 H359 | V344-Q348 HydrophobicContact CG1-CG 4.49Å; V344-Q348 WeakPolarHBondContact O-CG 3.35Å; V344-Q348 PolarHBondContact O-N 2.9Å; S345-Q348 WeakPolarHBondContact O-CA 3.22Å; S345-Q348 WeakPolarHBondContact O-CB 3.3Å; S345-Q348 PolarHBondContact O-N 3.29Å; Q348-V350 VanDerWaalsContact C-N 3.27Å; Q348-V350 PolarHBondContact O-N 2.86Å; Q348-L351 PolarHBondContact O-N 3.01Å; Q348-S352 CarbonylContact O-C 3.31Å; Q348-S352 VanDerWaalsContact O-C 3.31Å; Q348-S352 WeakPolarHBondContact O-CA 3.1Å; Q348-S352 PolarHBondContact O-N 2.92Å; Q348-H359 WeakPolarHBondContact CB-NE2 3.44Å; Q348-H359 PolarHBondContact OE1-CD2 2.99Å; Q348-H359 VanDerWaalsContact OE1-CD2 3.24Å |
| 349 | D | 77.2 | Confident | 81.4 | Confident | 8 Ų | 8 | 54.1 Ų | 54.1 | 4% | 0.043 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.9 | -40.2 | 172.1 | -70.2 | -60.5 | 0 | 0 | 0 | 112.6 | F194 S345 H359 | F194-D349 HydrophobicContact CB-CB 3.93Å; S345-D349 PolarHBondContact O-N 2.82Å; S345-D349 VanDerWaalsContact O-OD2 3.06Å; D349-H359 IonicContact OD1-CE1 2.68Å; D349-H359 PolarHBondContact OD1-CE1 3.49Å; D349-H359 VanDerWaalsContact OD1-CE1 3.27Å; D349-H359 IonicContact OD1-NE2 2.68Å; D349-H359 IonicContact OD2-CE1 3.82Å |
| 350 | V | 76.9 | Confident | 80.7 | Confident | 11 Ų | 11 | 56.8 Ų | 56.8 | 7% | 0.067 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.1 | -44.3 | 178.1 | 166 | 0 | 0 | 0 | 0 | 112.5 | L205 Y206 L209 L346 Q348 | L205-V350 HydrophobicContact CB-CG2 4.36Å; L205-V350 HydrophobicContact CD2-CG2 3.47Å; L205-V350 VanDerWaalsContact CD2-CG2 3.47Å; L205-V350 HydrophobicContact CG-CG2 3.62Å; Y206-V350 HydrophobicContact CD1-CG1 3.82Å; Y206-V350 HydrophobicContact CD2-CG1 4.39Å; Y206-V350 HydrophobicContact CE1-CG1 3.25Å; Y206-V350 HydrophobicContact CE2-CG1 3.87Å; Y206-V350 HydrophobicContact CG-CG1 4.35Å; Y206-V350 WeakPolarHBondContact OH-CG1 3.47Å; L209-V350 HydrophobicContact CD2-CG2 4.35Å; L346-V350 WeakPolarHBondContact O-CG2 3.37Å; L346-V350 PolarHBondContact O-N 3.42Å; Q348-V350 VanDerWaalsContact C-N 3.27Å; Q348-V350 PolarHBondContact O-N 2.86Å |
| 351 | L | 80 | Confident | 80.2 | Confident | 140 Ų | 140 | 53.2 Ų | 53.2 | 73% | 0.733 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -85.1 | -35.1 | -173.4 | -70.5 | 168.7 | 0 | 0 | 0 | 113.6 | A347 Q348 | A347-L351 VanDerWaalsContact O-CB 3.32Å; A347-L351 WeakPolarHBondContact O-CB 3.31Å; A347-L351 WeakPolarHBondContact O-CD1 3.39Å; A347-L351 WeakPolarHBondContact O-CG 3.38Å; A347-L351 PolarHBondContact O-N 3.26Å; Q348-L351 PolarHBondContact O-N 3.01Å |
| 352 | S | 75.1 | Confident | 80 | Confident | 66 Ų | 66 | 55.9 Ų | 55.9 | 46% | 0.462 | 30% | 0.302 | S | S | . | . | trans | -149.1 | 81.5 | -173.5 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | Q348 K354 | Q348-S352 CarbonylContact O-C 3.31Å; Q348-S352 VanDerWaalsContact O-C 3.31Å; Q348-S352 WeakPolarHBondContact O-CA 3.1Å; Q348-S352 PolarHBondContact O-N 2.92Å; S352-K354 PolarHBondContact O-N 3.32Å | ||
| 353 | P | 68.1 | Low | 79.7 | Confident | 62 Ų | 62 | 55.8 Ų | 55.8 | 40% | 0.403 | 30% | 0.301 | S | S | . | . | trans | -70.4 | 29.8 | -179.9 | 30.2 | -37.4 | 0 | 0 | 0 | 114.5 | S355 | P353-S355 PolarHBondContact O-N 3.15Š| ||
| 354 | K | 65.9 | Low | 79.6 | Confident | 170 Ų | 170 | 55.4 Ų | 55.4 | 74% | 0.739 | 30% | 0.296 | S | S | * | . | trans | -91.4 | 89 | 169.1 | -71.8 | -176.9 | 177.2 | 179.7 | 0 | 108.6 | S352 N356 | S352-K354 PolarHBondContact O-N 3.32Å; K354-N356 PolarHBondContact O-N 3.35Å; K354-N356 VanDerWaalsContact O-N 3.11Å | ||
| 355 | S | 62.9 | Low | 79.5 | Confident | 61 Ų | 61 | 54 Ų | 54 | 43% | 0.427 | 29% | 0.288 | S | S | . | . | trans | -67.7 | 105.2 | -179.6 | 54.7 | 0 | 0 | 0 | 0 | 112.1 | H193 P353 | H193-S355 WeakPolarHBondContact CE1-CB 3.48Å; H193-S355 PolarHBondContact CE1-OG 3.26Å; H193-S355 VanDerWaalsContact NE2-CB 3.31Å; H193-S355 WeakPolarHBondContact NE2-CB 3.3Å; H193-S355 PolarHBondContact NE2-OG 3.1Å; H193-S355 VanDerWaalsContact NE2-OG 3.11Å; P353-S355 PolarHBondContact O-N 3.15Å | ||
| 356 | N | 75.8 | Confident | 79.8 | Confident | 114 Ų | 114 | 54 Ų | 54 | 61% | 0.61 | 29% | 0.288 | S | S | * | . | trans | -87.6 | 155.1 | 168.5 | -69.5 | -33.3 | 0 | 0 | 0 | 110.5 | K354 T358 H359 Y360 | K354-N356 PolarHBondContact O-N 3.35Å; K354-N356 VanDerWaalsContact O-N 3.11Å; N356-T358 PolarHBondContact O-N 3.47Å; N356-T358 VanDerWaalsContact O-N 3.17Å; N356-H359 WeakPolarHBondContact O-CA 3.14Å; N356-H359 VanDerWaalsContact O-CB 3.24Å; N356-H359 WeakPolarHBondContact O-CB 3.15Å; N356-H359 PolarHBondContact O-N 3.05Å; N356-Y360 PolarHBondContact O-N 3.28Å | ||
| 357 | F | 75.4 | Confident | 80 | Confident | 78 Ų | 78 | 54.4 Ų | 54.4 | 34% | 0.342 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -50.8 | -42.1 | 175.7 | 176.3 | -94.3 | 0 | 0 | 0 | 112.9 | W31 I34 H35 H359 Y360 Q361 | W31-F357 AromaticContact CE3-CD1 3.87Å; W31-F357 HydrophobicContact CE3-CD1 3.87Å; W31-F357 AromaticContact CE3-CE1 3.9Å; W31-F357 HydrophobicContact CE3-CE1 3.9Å; W31-F357 HydrophobicContact CZ3-CD1 4.29Å; I34-F357 HydrophobicContact CG2-CE1 4.28Å; H35-F357 HydrophobicContact CB-CE2 4.49Å; H35-F357 HydrophobicContact CB-CZ 4.08Å; H35-F357 AromaticContact CD2-CE2 3.93Å; F357-H359 VanDerWaalsContact C-N 3.29Å; F357-H359 PolarHBondContact O-N 3.07Å; F357-Y360 PolarHBondContact O-N 2.98Å; F357-Q361 HydrophobicContact CD1-CG 4.08Å; F357-Q361 HydrophobicContact CE1-CG 3.68Å; F357-Q361 HydrophobicContact CZ-CG 3.92Å; F357-Q361 WeakPolarHBondContact O-CG 2.98Å; F357-Q361 PolarHBondContact O-N 3.35Å; F357-Q361 VanDerWaalsContact O-N 3.1Å |
| 358 | T | 79.2 | Confident | 80.4 | Confident | 97 Ų | 97 | 53.1 Ų | 53.1 | 60% | 0.595 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.9 | -30.7 | 177.3 | -41.5 | 0 | 0 | 0 | 0 | 113.4 | N356 F362 | N356-T358 PolarHBondContact O-N 3.47Å; N356-T358 VanDerWaalsContact O-N 3.17Å; T358-F362 WeakPolarHBondContact O-CB 3.02Å; T358-F362 PolarHBondContact O-N 3.19Å |
| 359 | H | 81.1 | Confident | 80.9 | Confident | 18 Ų | 18 | 50.1 Ų | 50.1 | 8% | 0.083 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.6 | -50.6 | 175.4 | -172 | -81.3 | 0 | 0 | 0 | 110.2 | Q348 D349 N356 F357 Q361 F362 E363 | Q348-H359 WeakPolarHBondContact CB-NE2 3.44Å; Q348-H359 PolarHBondContact OE1-CD2 2.99Å; Q348-H359 VanDerWaalsContact OE1-CD2 3.24Å; D349-H359 IonicContact OD1-CE1 2.68Å; D349-H359 PolarHBondContact OD1-CE1 3.49Å; D349-H359 VanDerWaalsContact OD1-CE1 3.27Å; D349-H359 IonicContact OD1-NE2 2.68Å; D349-H359 IonicContact OD2-CE1 3.82Å; N356-H359 WeakPolarHBondContact O-CA 3.14Å; N356-H359 VanDerWaalsContact O-CB 3.24Å; N356-H359 WeakPolarHBondContact O-CB 3.15Å; N356-H359 PolarHBondContact O-N 3.05Å; F357-H359 VanDerWaalsContact C-N 3.29Å; F357-H359 PolarHBondContact O-N 3.07Å; H359-Q361 VanDerWaalsContact C-N 3.33Å; H359-Q361 PolarHBondContact O-N 2.86Å; H359-F362 WeakPolarHBondContact O-CB 3.47Å; H359-F362 PolarHBondContact O-N 3.27Å; H359-E363 WeakPolarHBondContact O-CB 3.28Å; H359-E363 PolarHBondContact O-N 2.8Å |
| 360 | Y | 79.4 | Confident | 81.8 | Confident | 57 Ų | 57 | 49.8 Ų | 49.8 | 22% | 0.224 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.3 | -42.5 | 177.1 | 174.3 | -99 | 0 | 0 | 0 | 112.4 | H35 L191 N356 F357 F362 E363 L364 | H35-Y360 AromaticContact NE2-CE1 3.95Å; L191-Y360 HydrophobicContact CB-CE2 4.26Å; L191-Y360 HydrophobicContact CD1-CE2 4.11Å; L191-Y360 WeakPolarHBondContact CD1-OH 3.19Å; L191-Y360 HydrophobicContact CD2-CE2 3.86Å; L191-Y360 HydrophobicContact CG-CE2 4.27Å; N356-Y360 PolarHBondContact O-N 3.28Å; F357-Y360 PolarHBondContact O-N 2.98Å; Y360-F362 PolarHBondContact O-N 2.83Å; Y360-E363 PolarHBondContact O-N 3.04Å; Y360-L364 HydrophobicContact CD1-CD1 4.02Å; Y360-L364 HydrophobicContact CE1-CD1 3.56Å; Y360-L364 HydrophobicContact CE1-CG 4.35Å; Y360-L364 WeakPolarHBondContact O-CB 3.45Å; Y360-L364 VanDerWaalsContact O-CG 3.27Å; Y360-L364 WeakPolarHBondContact O-CG 3.27Å; Y360-L364 PolarHBondContact O-N 3.42Å |
| 361 | Q | 84.5 | Confident | 82.6 | Confident | 17 Ų | 17 | 49.3 Ų | 49.3 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.2 | -37.3 | 174.8 | -64.6 | -64.1 | -48.4 | 0 | 0 | 113 | H35 T38 F357 H359 C365 | H35-Q361 PolarHBondContact CD2-NE2 3.25Å; T38-Q361 PolarHBondContact OG1-OE1 3.07Å; F357-Q361 HydrophobicContact CD1-CG 4.08Å; F357-Q361 HydrophobicContact CE1-CG 3.68Å; F357-Q361 HydrophobicContact CZ-CG 3.92Å; F357-Q361 WeakPolarHBondContact O-CG 2.98Å; F357-Q361 PolarHBondContact O-N 3.35Å; F357-Q361 VanDerWaalsContact O-N 3.1Å; H359-Q361 VanDerWaalsContact C-N 3.33Å; H359-Q361 PolarHBondContact O-N 2.86Å; Q361-C365 PolarHBondContact O-N 3.12Å |
| 362 | F | 86.3 | Confident | 83.3 | Confident | 79 Ų | 79 | 43.6 Ų | 43.6 | 35% | 0.346 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -72.7 | -41.5 | 177.8 | -178.2 | -101 | 0 | 0 | 0 | 112.2 | P341 V344 T358 H359 Y360 C365 G366 | P341-F362 HydrophobicContact CB-CE1 4.39Å; P341-F362 HydrophobicContact CB-CE2 4.23Å; P341-F362 HydrophobicContact CB-CZ 3.87Å; P341-F362 VanDerWaalsContact O-CE1 3.22Å; P341-F362 WeakPolarHBondContact O-CE1 3.49Å; V344-F362 HydrophobicContact CB-CE1 3.96Å; V344-F362 HydrophobicContact CB-CZ 4.2Å; V344-F362 HydrophobicContact CG1-CE1 3.78Å; V344-F362 HydrophobicContact CG1-CZ 4.06Å; T358-F362 WeakPolarHBondContact O-CB 3.02Å; T358-F362 PolarHBondContact O-N 3.19Å; H359-F362 WeakPolarHBondContact O-CB 3.47Å; H359-F362 PolarHBondContact O-N 3.27Å; Y360-F362 PolarHBondContact O-N 2.83Å; F362-C365 WeakPolarHBondContact O-CB 3.44Å; F362-C365 PolarHBondContact O-N 2.9Å; F362-G366 PolarHBondContact O-N 3.44Å |
| 363 | E | 85.3 | Confident | 84.3 | Confident | 6 Ų | 6 | 40.8 Ų | 40.8 | 3% | 0.028 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.1 | -50.3 | 174.5 | -178.5 | 171.8 | -161.8 | 0 | 0 | 111.5 | P192 S345 H359 Y360 C365 G366 F367 | P192-E363 VanDerWaalsContact O-OE1 3.04Å; S345-E363 VanDerWaalsContact OG-CB 3.31Å; S345-E363 WeakPolarHBondContact OG-CB 3.21Å; S345-E363 WeakPolarHBondContact OG-CG 3.5Å; H359-E363 WeakPolarHBondContact O-CB 3.28Å; H359-E363 PolarHBondContact O-N 2.8Å; Y360-E363 PolarHBondContact O-N 3.04Å; E363-C365 VanDerWaalsContact C-N 3.27Å; E363-C365 PolarHBondContact O-N 3.49Å; E363-G366 CarbonylContact O-C 3.57Å; E363-G366 WeakPolarHBondContact O-CA 3.4Å; E363-G366 PolarHBondContact O-N 3.36Å; E363-F367 HydrophobicContact CG-CD2 3.87Å; E363-F367 HydrophobicContact CG-CE2 3.92Å; E363-F367 WeakPolarHBondContact O-CD2 3.27Å; E363-F367 PolarHBondContact O-N 3.13Å |
| 364 | L | 86.3 | Confident | 85.5 | Confident | 7 Ų | 7 | 37.9 Ų | 37.9 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -50.4 | -47.5 | 173.6 | -81.4 | 178.6 | 0 | 0 | 0 | 112.1 | F98 L102 L191 Y360 F367 V368 | F98-L364 HydrophobicContact CE2-CD2 4.48Å; F98-L364 HydrophobicContact CZ-CD2 3.85Å; L102-L364 HydrophobicContact CD2-CD2 3.4Å; L191-L364 HydrophobicContact CD2-CD2 3.43Å; L191-L364 VanDerWaalsContact CD2-CD2 3.43Å; L191-L364 HydrophobicContact CD2-CG 4.43Å; Y360-L364 HydrophobicContact CD1-CD1 4.02Å; Y360-L364 HydrophobicContact CE1-CD1 3.56Å; Y360-L364 HydrophobicContact CE1-CG 4.35Å; Y360-L364 WeakPolarHBondContact O-CB 3.45Å; Y360-L364 VanDerWaalsContact O-CG 3.27Å; Y360-L364 WeakPolarHBondContact O-CG 3.27Å; Y360-L364 PolarHBondContact O-N 3.42Å; L364-F367 PolarHBondContact O-N 2.93Å; L364-V368 PolarHBondContact O-N 3.47Å |
| 365 | C | 89.8 | Confident | 86.6 | Confident | 32 Ų | 32 | 30 Ų | 30 | 22% | 0.216 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.5 | -41.8 | 177.1 | -168.6 | 0 | 0 | 0 | 0 | 111.3 | Q361 F362 E363 F367 V368 L369 | Q361-C365 PolarHBondContact O-N 3.12Å; F362-C365 WeakPolarHBondContact O-CB 3.44Å; F362-C365 PolarHBondContact O-N 2.9Å; E363-C365 VanDerWaalsContact C-N 3.27Å; E363-C365 PolarHBondContact O-N 3.49Å; C365-F367 PolarHBondContact O-N 3.45Å; C365-V368 PolarHBondContact O-N 2.87Å; C365-L369 WeakPolarHBondContact O-CB 3.45Å; C365-L369 VanDerWaalsContact O-CG 3.25Å; C365-L369 WeakPolarHBondContact O-CG 3.17Å; C365-L369 PolarHBondContact O-N 2.89Å |
| 366 | G | 91.4 | Very high | 88 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.2 | -43.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | F362 E363 L369 I370 | F362-G366 PolarHBondContact O-N 3.44Å; E363-G366 CarbonylContact O-C 3.57Å; E363-G366 WeakPolarHBondContact O-CA 3.4Å; E363-G366 PolarHBondContact O-N 3.36Å; G366-L369 PolarHBondContact O-N 3.05Å; G366-I370 WeakPolarHBondContact O-CG2 3.27Å; G366-I370 PolarHBondContact O-N 2.04Å |
| 367 | F | 90.1 | Very high | 88.6 | Confident | 8 Ų | 8 | 24.1 Ų | 24.1 | 4% | 0.035 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.8 | -39.1 | 176.3 | -91.4 | -84.9 | 0 | 0 | 0 | 113 | F98 P192 F194 M342 E363 L364 C365 I370 F371 | F98-F367 HydrophobicContact CE1-CB 4.18Å; F98-F367 HydrophobicContact CE2-CB 4.24Å; F98-F367 HydrophobicContact CZ-CB 3.76Å; P192-F367 HydrophobicContact CB-CE1 4.41Å; P192-F367 HydrophobicContact CB-CE2 3.7Å; P192-F367 HydrophobicContact CB-CZ 3.53Å; P192-F367 HydrophobicContact CG-CD2 3.7Å; P192-F367 HydrophobicContact CG-CE1 4.13Å; P192-F367 HydrophobicContact CG-CE2 3.13Å; P192-F367 HydrophobicContact CG-CG 4.4Å; P192-F367 HydrophobicContact CG-CZ 3.37Å; F194-F367 HydrophobicContact CE2-CZ 4.33Å; M342-F367 HydrophobicContact CE-CD2 4.01Å; M342-F367 HydrophobicContact CE-CE1 3.89Å; M342-F367 HydrophobicContact CE-CE2 3.29Å; M342-F367 HydrophobicContact CE-CZ 3.22Å; M342-F367 HydrophobicContact SD-CD1 4.46Å; M342-F367 HydrophobicContact SD-CD2 3.65Å; M342-F367 HydrophobicContact SD-CE1 4.41Å; M342-F367 HydrophobicContact SD-CE2 3.57Å; M342-F367 VanDerWaalsContact SD-CE2 3.57Å; M342-F367 HydrophobicContact SD-CG 4.12Å; M342-F367 HydrophobicContact SD-CZ 3.98Å; E363-F367 HydrophobicContact CG-CD2 3.87Å; E363-F367 HydrophobicContact CG-CE2 3.92Å; E363-F367 WeakPolarHBondContact O-CD2 3.27Å; E363-F367 PolarHBondContact O-N 3.13Å; L364-F367 PolarHBondContact O-N 2.93Å; C365-F367 PolarHBondContact O-N 3.45Å; F367-I370 VanDerWaalsContact O-CG2 3.28Å; F367-I370 WeakPolarHBondContact O-CG2 3.31Å; F367-F371 WeakPolarHBondContact O-CD2 3.35Å; F367-F371 WeakPolarHBondContact O-CG 3.49Å; F367-F371 PolarHBondContact O-N 2.97Å |
| 368 | V | 94.1 | Very high | 89 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -69.3 | -39.9 | 173.5 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | C42 L45 L46 I49 F98 L364 C365 F371 L372 | C42-V368 HydrophobicContact CB-CG2 3.8Å; L45-V368 HydrophobicContact CB-CG1 3.45Å; L45-V368 VanDerWaalsContact CB-CG1 3.45Å; L45-V368 HydrophobicContact CD1-CG1 3.74Å; L45-V368 HydrophobicContact CG-CG1 4.27Å; L46-V368 HydrophobicContact CD1-CG2 4.22Å; L46-V368 HydrophobicContact CD2-CG1 4.45Å; L46-V368 HydrophobicContact CD2-CG2 4.27Å; L46-V368 HydrophobicContact CG-CG1 4.3Å; L46-V368 HydrophobicContact CG-CG2 4.1Å; I49-V368 HydrophobicContact CD1-CG1 3.94Å; I49-V368 WeakPolarHBondContact CD1-O 3.27Å; F98-V368 HydrophobicContact CD1-CG2 4.37Å; F98-V368 HydrophobicContact CE1-CG2 3.7Å; L364-V368 PolarHBondContact O-N 3.47Å; C365-V368 PolarHBondContact O-N 2.87Å; V368-F371 PolarHBondContact O-N 3.25Å; V368-L372 PolarHBondContact O-N 3.47Å |
| 369 | L | 95 | Very high | 89 | Confident | 22 Ų | 22 | 19.6 Ų | 19.6 | 12% | 0.115 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -68.7 | -34.3 | -179.7 | -72.9 | 173.7 | 0 | 0 | 0 | 112.8 | L337 C338 P341 C365 G366 F371 L372 K373 | L337-L369 HydrophobicContact CD2-CD2 4.09Å; C338-L369 WeakPolarHBondContact CB-O 3.41Å; C338-L369 CarbonylContact O-C 3.56Å; P341-L369 HydrophobicContact CB-CD1 4.36Å; P341-L369 HydrophobicContact CG-CD1 3.88Å; C365-L369 WeakPolarHBondContact O-CB 3.45Å; C365-L369 VanDerWaalsContact O-CG 3.25Å; C365-L369 WeakPolarHBondContact O-CG 3.17Å; C365-L369 PolarHBondContact O-N 2.89Å; G366-L369 PolarHBondContact O-N 3.05Å; L369-F371 VanDerWaalsContact C-N 3.32Å; L369-F371 PolarHBondContact O-N 3.09Å; L369-L372 HydrophobicContact CD2-CD2 3.89Å; L369-L372 WeakPolarHBondContact O-CB 3.48Å; L369-L372 PolarHBondContact O-N 3.44Å; L369-L372 VanDerWaalsContact O-N 3.14Å; L369-K373 PolarHBondContact O-N 3.06Å |
| 370 | I | 94.6 | Very high | 89 | Confident | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -70.7 | -27.7 | 173.7 | -167.4 | 60.3 | 0 | 0 | 0 | 112.3 | I128 L132 F212 C338 C339 M342 G366 F367 K373 | I128-I370 HydrophobicContact CD1-CG1 4.09Å; I128-I370 HydrophobicContact CD1-CG2 3.71Å; I128-I370 HydrophobicContact CG1-CG1 4.19Å; I128-I370 HydrophobicContact CG2-CD1 4.17Å; I128-I370 HydrophobicContact CG2-CG1 3.61Å; L132-I370 HydrophobicContact CD1-CD1 4.46Å; F212-I370 HydrophobicContact CE2-CD1 4.05Å; F212-I370 HydrophobicContact CE2-CG1 4.45Å; F212-I370 HydrophobicContact CZ-CD1 4.25Å; C338-I370 PolarHBondContact O-N 2.66Å; C339-I370 HydrophobicContact CB-CD1 4.35Å; C339-I370 VanDerWaalsContact SG-CD1 3.52Å; M342-I370 HydrophobicContact CB-CB 4.36Å; M342-I370 HydrophobicContact CG-CB 4.41Å; M342-I370 HydrophobicContact CG-CG2 4.31Å; G366-I370 WeakPolarHBondContact O-CG2 3.27Å; G366-I370 PolarHBondContact O-N 2.04Å; F367-I370 VanDerWaalsContact O-CG2 3.28Å; F367-I370 WeakPolarHBondContact O-CG2 3.31Å; I370-K373 HydrophobicContact CD1-CD 4.43Å; I370-K373 VanDerWaalsContact O-CB 3.3Å; I370-K373 WeakPolarHBondContact O-CB 3.13Å |
| 371 | F | 95 | Very high | 88.6 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -72.8 | -31.8 | 167.2 | -58.4 | -35.5 | 0 | 0 | 0 | 112.6 | L46 I49 I90 T94 A95 F98 F120 I128 F367 V368 L369 K373 S374 G375 | L46-F371 HydrophobicContact CD2-CD2 3.9Å; L46-F371 HydrophobicContact CD2-CE2 4.45Å; I49-F371 HydrophobicContact CD1-CB 4.15Å; I49-F371 HydrophobicContact CG2-CB 4.26Å; I90-F371 HydrophobicContact CG2-CB 4.19Å; I90-F371 HydrophobicContact CG2-CD1 3.52Å; I90-F371 HydrophobicContact CG2-CE1 4.27Å; I90-F371 HydrophobicContact CG2-CG 4.15Å; T94-F371 HydrophobicContact CG2-CE1 3.57Å; T94-F371 HydrophobicContact CG2-CZ 3.65Å; A95-F371 HydrophobicContact CB-CD2 4.32Å; F98-F371 HydrophobicContact CB-CE2 3.78Å; F98-F371 HydrophobicContact CB-CZ 4.34Å; F98-F371 HydrophobicContact CD1-CD2 4.46Å; F98-F371 AromaticContact CD1-CE2 3.81Å; F98-F371 HydrophobicContact CD1-CE2 3.81Å; F98-F371 AromaticContact CG-CE2 3.87Å; F98-F371 HydrophobicContact CG-CE2 3.87Å; F120-F371 HydrophobicContact CE2-CZ 4.44Å; I128-F371 HydrophobicContact CD1-CD1 4.31Å; I128-F371 HydrophobicContact CD1-CE1 3.87Å; I128-F371 HydrophobicContact CG1-CE1 4.39Å; F367-F371 WeakPolarHBondContact O-CD2 3.35Å; F367-F371 WeakPolarHBondContact O-CG 3.49Å; F367-F371 PolarHBondContact O-N 2.97Å; V368-F371 PolarHBondContact O-N 3.25Å; L369-F371 VanDerWaalsContact C-N 3.32Å; L369-F371 PolarHBondContact O-N 3.09Å; F371-K373 PolarHBondContact O-N 3Å; F371-S374 WeakPolarHBondContact O-CB 3.24Å; F371-S374 PolarHBondContact O-N 2.72Å; F371-S374 VanDerWaalsContact O-N 3.09Å; F371-G375 PolarHBondContact O-N 2.93Å |
| 372 | L | 95 | Very high | 87.7 | Confident | 20 Ų | 20 | 17.6 Ų | 17.6 | 11% | 0.105 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.8 | -30.7 | 177.2 | -173.6 | 61.8 | 0 | 0 | 0 | 112.6 | F48 I49 V368 L369 S374 G375 I376 | F48-L372 HydrophobicContact CD1-CD1 4.14Å; F48-L372 HydrophobicContact CE1-CD1 4.09Å; I49-L372 HydrophobicContact CD1-CB 3.93Å; I49-L372 HydrophobicContact CD1-CD1 4.2Å; I49-L372 HydrophobicContact CG1-CB 4.29Å; I49-L372 HydrophobicContact CG1-CD1 3.75Å; V368-L372 PolarHBondContact O-N 3.47Å; L369-L372 HydrophobicContact CD2-CD2 3.89Å; L369-L372 WeakPolarHBondContact O-CB 3.48Å; L369-L372 PolarHBondContact O-N 3.44Å; L369-L372 VanDerWaalsContact O-N 3.14Å; L372-S374 VanDerWaalsContact C-N 3.34Å; L372-S374 PolarHBondContact O-N 2.66Å; L372-G375 CarbonylContact O-C 3.44Å; L372-G375 WeakPolarHBondContact O-CA 3.43Å; L372-G375 PolarHBondContact O-N 3.48Å; L372-I376 HydrophobicContact CD2-CD1 4.44Å; L372-I376 HydrophobicContact CG-CD1 3.97Å; L372-I376 HydrophobicContact CG-CG1 4.39Å; L372-I376 WeakPolarHBondContact O-CG1 3.33Å; L372-I376 PolarHBondContact O-N 3.38Å |
| 373 | K | 94.2 | Very high | 86.8 | Confident | 7 Ų | 7 | 20.1 Ų | 20.1 | 3% | 0.03 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -49.5 | -51.3 | 169.4 | -177.8 | -140.2 | 175.5 | -164.1 | 0 | 112.2 | S131 L132 C338 L369 I370 F371 G375 I376 N377 | S131-K373 PolarHBondContact O-NZ 2.96Å; S131-K373 PolarHBondContact OG-NZ 3.37Å; L132-K373 HydrophobicContact CD2-CD 4.27Å; L132-K373 VanDerWaalsContact N-NZ 3.2Å; C338-K373 HydrophobicContact CB-CB 3.86Å; L369-K373 PolarHBondContact O-N 3.06Å; I370-K373 HydrophobicContact CD1-CD 4.43Å; I370-K373 VanDerWaalsContact O-CB 3.3Å; I370-K373 WeakPolarHBondContact O-CB 3.13Å; F371-K373 PolarHBondContact O-N 3Å; K373-G375 PolarHBondContact O-N 2.89Å; K373-I376 PolarHBondContact O-N 2.86Å; K373-N377 PolarHBondContact O-N 3.26Å; K373-N377 VanDerWaalsContact O-N 3.07Å |
| 374 | S | 93.5 | Very high | 85.4 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.007 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.3 | -30.3 | 179.2 | -62.2 | 0 | 0 | 0 | 0 | 112.2 | N57 D87 I90 F371 L372 P378 | N57-S374 PolarHBondContact ND2-O 3.37Å; D87-S374 VanDerWaalsContact OD1-CB 3.28Å; D87-S374 WeakPolarHBondContact OD1-CB 3.25Å; D87-S374 PolarHBondContact OD1-OG 2.88Å; I90-S374 VanDerWaalsContact CD1-OG 3.3Å; I90-S374 WeakPolarHBondContact CD1-OG 3.34Å; F371-S374 WeakPolarHBondContact O-CB 3.24Å; F371-S374 PolarHBondContact O-N 2.72Å; F371-S374 VanDerWaalsContact O-N 3.09Å; L372-S374 VanDerWaalsContact C-N 3.34Å; L372-S374 PolarHBondContact O-N 2.66Å; S374-P378 WeakPolarHBondContact O-CD 3.29Å |
| 375 | G | 90.2 | Very high | 84 | Confident | 4 Ų | 4 | 26.2 Ų | 26.2 | 4% | 0.041 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -70.1 | -34.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | F371 L372 K373 F379 | F371-G375 PolarHBondContact O-N 2.93Å; L372-G375 CarbonylContact O-C 3.44Å; L372-G375 WeakPolarHBondContact O-CA 3.43Å; L372-G375 PolarHBondContact O-N 3.48Å; K373-G375 PolarHBondContact O-N 2.89Å; G375-F379 VanDerWaalsContact O-CD2 3.29Å; G375-F379 WeakPolarHBondContact O-CD2 3.22Å; G375-F379 VanDerWaalsContact O-CE2 3.3Å; G375-F379 WeakPolarHBondContact O-CE2 3.13Å |
| 376 | I | 91 | Very high | 82.1 | Confident | 39 Ų | 39 | 28.2 Ų | 28.2 | 20% | 0.2 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -78.5 | -32.9 | -178.5 | -70.7 | 167.2 | 0 | 0 | 0 | 112.4 | L372 K373 F379 V380 | L372-I376 HydrophobicContact CD2-CD1 4.44Å; L372-I376 HydrophobicContact CG-CD1 3.97Å; L372-I376 HydrophobicContact CG-CG1 4.39Å; L372-I376 WeakPolarHBondContact O-CG1 3.33Å; L372-I376 PolarHBondContact O-N 3.38Å; K373-I376 PolarHBondContact O-N 2.86Å; I376-F379 WeakPolarHBondContact O-CB 3.2Å; I376-F379 PolarHBondContact O-N 3.17Å; I376-V380 HydrophobicContact CG2-CG2 4.1Å; I376-V380 PolarHBondContact O-N 3.36Å |
| 377 | N | 88.3 | Confident | 80.3 | Confident | 13 Ų | 13 | 30 Ų | 30 | 7% | 0.07 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -50.7 | -46.2 | -173.7 | -81.7 | -14.8 | 0 | 0 | 0 | 114.9 | D87 K373 F379 V380 Y381 | D87-N377 WeakPolarHBondContact OD2-CB 2.95Å; D87-N377 PolarHBondContact OD2-ND2 3.41Å; K373-N377 PolarHBondContact O-N 3.26Å; K373-N377 VanDerWaalsContact O-N 3.07Å; N377-F379 VanDerWaalsContact C-N 3.26Å; N377-F379 PolarHBondContact O-N 3.32Å; N377-V380 WeakPolarHBondContact O-CB 3.39Å; N377-V380 PolarHBondContact O-N 2.9Å; N377-V380 VanDerWaalsContact O-N 3.14Å; N377-Y381 HydrophobicContact CB-CE2 4.02Å; N377-Y381 WeakPolarHBondContact O-CD2 3.2Å; N377-Y381 PolarHBondContact O-N 3.01Å; N377-Y381 VanDerWaalsContact O-N 3.14Å |
| 378 | P | 84.8 | Confident | 78.6 | Confident | 6 Ų | 6 | 30.8 Ų | 30.8 | 4% | 0.039 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.9 | -34 | 173.8 | -29.4 | 36.8 | 0 | 0 | 0 | 115.2 | N57 S374 Y381 S382 | N57-P378 HydrophobicContact CB-CG 4.36Å; N57-P378 WeakPolarHBondContact ND2-CG 3.28Å; N57-P378 WeakPolarHBondContact OD1-CG 3.21Å; S374-P378 WeakPolarHBondContact O-CD 3.29Å; P378-Y381 PolarHBondContact O-N 2.64Å; P378-S382 VanDerWaalsContact O-CB 3.3Å; P378-S382 WeakPolarHBondContact O-CB 3.23Å; P378-S382 PolarHBondContact O-N 2.87Å; P378-S382 PolarHBondContact O-OG 2.94Å |
| 379 | F | 79.3 | Confident | 77.1 | Confident | 74 Ų | 74 | 36.7 Ų | 36.7 | 33% | 0.325 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -74.5 | -33.1 | 179.6 | -59.8 | -80.5 | 0 | 0 | 0 | 111.7 | M52 G375 I376 N377 S382 R383 | M52-F379 HydrophobicContact CE-CE1 4.16Å; M52-F379 HydrophobicContact CE-CE2 4.34Å; M52-F379 HydrophobicContact CE-CZ 3.57Å; M52-F379 HydrophobicContact SD-CZ 4.47Å; G375-F379 VanDerWaalsContact O-CD2 3.29Å; G375-F379 WeakPolarHBondContact O-CD2 3.22Å; G375-F379 VanDerWaalsContact O-CE2 3.3Å; G375-F379 WeakPolarHBondContact O-CE2 3.13Å; I376-F379 WeakPolarHBondContact O-CB 3.2Å; I376-F379 PolarHBondContact O-N 3.17Å; N377-F379 VanDerWaalsContact C-N 3.26Å; N377-F379 PolarHBondContact O-N 3.32Å; F379-S382 WeakPolarHBondContact CA-OG 3.2Å; F379-S382 PolarHBondContact O-OG 2.87Å; F379-R383 WeakPolarHBondContact O-CB 3.37Å; F379-R383 PolarHBondContact O-N 3.33Å; F379-R383 VanDerWaalsContact O-N 3.17Å |
| 380 | V | 81.4 | Confident | 75.4 | Confident | 22 Ų | 22 | 45 Ų | 45 | 13% | 0.133 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.1 | -48.5 | 170 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | I331 I376 N377 | I331-V380 HydrophobicContact CD1-CG1 3.58Å; I331-V380 HydrophobicContact CG1-CB 4.41Å; I331-V380 HydrophobicContact CG1-CG1 3.55Å; I331-V380 HydrophobicContact CG1-CG2 3.94Å; I376-V380 HydrophobicContact CG2-CG2 4.1Å; I376-V380 PolarHBondContact O-N 3.36Å; N377-V380 WeakPolarHBondContact O-CB 3.39Å; N377-V380 PolarHBondContact O-N 2.9Å; N377-V380 VanDerWaalsContact O-N 3.14Å |
| 381 | Y | 69.9 | Low | 73.9 | Confident | 18 Ų | 18 | 47.9 Ų | 47.9 | 7% | 0.071 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -74.9 | -36.3 | -176.1 | -59.6 | -53.3 | 0 | 0 | 0 | 113.6 | L83 N377 P378 N384 S385 | L83-Y381 HydrophobicContact CD2-CE2 3.62Å; L83-Y381 WeakPolarHBondContact CD2-OH 3.39Å; N377-Y381 HydrophobicContact CB-CE2 4.02Å; N377-Y381 WeakPolarHBondContact O-CD2 3.2Å; N377-Y381 PolarHBondContact O-N 3.01Å; N377-Y381 VanDerWaalsContact O-N 3.14Å; P378-Y381 PolarHBondContact O-N 2.64Å; Y381-N384 PolarHBondContact O-N 3.13Å; Y381-S385 PolarHBondContact O-OG 3.34Å |
| 382 | S | 67.1 | Low | 72.4 | Confident | 11 Ų | 11 | 49 Ų | 49 | 8% | 0.077 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.3 | -39.9 | 174.1 | 59.9 | 0 | 0 | 0 | 0 | 112.4 | P378 F379 N384 S385 R389 | P378-S382 VanDerWaalsContact O-CB 3.3Å; P378-S382 WeakPolarHBondContact O-CB 3.23Å; P378-S382 PolarHBondContact O-N 2.87Å; P378-S382 PolarHBondContact O-OG 2.94Å; F379-S382 WeakPolarHBondContact CA-OG 3.2Å; F379-S382 PolarHBondContact O-OG 2.87Å; S382-N384 PolarHBondContact O-N 3.24Å; S382-N384 VanDerWaalsContact O-N 3.12Å; S382-S385 CarbonylContact O-C 3.58Å; S382-S385 PolarHBondContact O-N 3.33Å; S382-S385 PolarHBondContact O-OG 3.27Å; S382-R389 WeakPolarHBondContact O-CG 3.09Å; S382-R389 PolarHBondContact O-NE 2.87Å |
| 383 | R | 66.2 | Low | 70.8 | Confident | 131 Ų | 131 | 53.1 Ų | 53.1 | 49% | 0.494 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.9 | -29.8 | 178.3 | -170.7 | 162.9 | 168 | 140 | -2 | 113.1 | T327 F379 R389 | T327-R383 HydrophobicContact CG2-CB 4.26Å; T327-R383 HydrophobicContact CG2-CG 3.63Å; F379-R383 WeakPolarHBondContact O-CB 3.37Å; F379-R383 PolarHBondContact O-N 3.33Å; F379-R383 VanDerWaalsContact O-N 3.17Å; R383-R389 PolarHBondContact O-NH2 2.96Å |
| 384 | N | 56.8 | Low | 69.2 | Low | 101 Ų | 101 | 55 Ų | 55 | 54% | 0.54 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -78.6 | -17.2 | 175.1 | -166 | 57.6 | 0 | 0 | 0 | 114.3 | Y381 S382 | Y381-N384 PolarHBondContact O-N 3.13Å; S382-N384 PolarHBondContact O-N 3.24Å; S382-N384 VanDerWaalsContact O-N 3.12Å |
| 385 | S | 55.9 | Low | 67.6 | Low | 40 Ų | 40 | 57.5 Ų | 57.5 | 28% | 0.28 | 30% | 0.296 | S | S | . | . | trans | -124.6 | 128 | -169 | 51.2 | 0 | 0 | 0 | 0 | 112.5 | Y381 S382 L388 R389 | Y381-S385 PolarHBondContact O-OG 3.34Å; S382-S385 CarbonylContact O-C 3.58Å; S382-S385 PolarHBondContact O-N 3.33Å; S382-S385 PolarHBondContact O-OG 3.27Å; S385-L388 WeakPolarHBondContact OG-CB 3.3Å; S385-R389 PolarHBondContact O-N 2.77Å; S385-R389 PolarHBondContact O-NE 3.39Å; S385-R389 VanDerWaalsContact O-NE 3.07Å | ||
| 386 | A | 49.6 | Very low | 66.3 | Low | 74 Ų | 74 | 61.5 Ų | 61.5 | 61% | 0.612 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -72.7 | -39.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R390 | A386-R390 PolarHBondContact O-N 2.98Å; A386-R390 VanDerWaalsContact O-N 3.08Å |
| 387 | G | 54.7 | Low | 64.9 | Low | 39 Ų | 39 | 65.1 Ų | 65.1 | 40% | 0.402 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.6 | -46.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R389 R390 R391 | G387-R389 PolarHBondContact O-N 2.75Å; G387-R390 PolarHBondContact O-N 2.9Å; G387-R391 WeakPolarHBondContact O-CG 3.16Å; G387-R391 PolarHBondContact O-N 3.34Å |
| 388 | L | 53.4 | Low | 63.5 | Low | 23 Ų | 23 | 73.5 Ų | 73.5 | 12% | 0.12 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.1 | -38.4 | 178.6 | -174.5 | 55.5 | 0 | 0 | 0 | 111.6 | V59 V60 S385 R390 R391 V392 | V59-L388 HydrophobicContact CG1-CD1 3.69Å; V60-L388 HydrophobicContact CG2-CD2 3.93Å; S385-L388 WeakPolarHBondContact OG-CB 3.3Å; L388-R390 PolarHBondContact O-N 3.3Å; L388-R391 PolarHBondContact O-N 2.85Å; L388-V392 HydrophobicContact CD1-CG2 4.19Å; L388-V392 HydrophobicContact CG-CG2 4.42Å; L388-V392 WeakPolarHBondContact O-CG2 3.27Å; L388-V392 PolarHBondContact O-N 3.26Å |
| 389 | R | 62.3 | Low | 62.4 | Low | 124 Ų | 124 | 75.9 Ų | 75.9 | 47% | 0.468 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -56.7 | -46.1 | 169.5 | -92.1 | 175.5 | -68.4 | 151.3 | -4.9 | 112.6 | S382 R383 S385 G387 R391 V392 L393 | S382-R389 WeakPolarHBondContact O-CG 3.09Å; S382-R389 PolarHBondContact O-NE 2.87Å; R383-R389 PolarHBondContact O-NH2 2.96Å; S385-R389 PolarHBondContact O-N 2.77Å; S385-R389 PolarHBondContact O-NE 3.39Å; S385-R389 VanDerWaalsContact O-NE 3.07Å; G387-R389 PolarHBondContact O-N 2.75Å; R389-R391 VanDerWaalsContact C-N 3.31Å; R389-R391 PolarHBondContact O-N 2.75Å; R389-V392 PolarHBondContact O-N 3.47Å; R389-L393 WeakPolarHBondContact O-CB 3.36Å; R389-L393 PolarHBondContact O-N 3.11Å |
| 390 | R | 60.6 | Low | 61.5 | Low | 196 Ų | 196 | 74.7 Ų | 74.7 | 74% | 0.74 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.5 | -38.1 | 178 | -165 | 174.2 | -173.7 | 174 | 2.2 | 111.7 | A386 G387 L388 C394 | A386-R390 PolarHBondContact O-N 2.98Å; A386-R390 VanDerWaalsContact O-N 3.08Å; G387-R390 PolarHBondContact O-N 2.9Å; L388-R390 PolarHBondContact O-N 3.3Å; R390-C394 WeakPolarHBondContact O-CB 3.31Å; R390-C394 PolarHBondContact O-N 2.89Å; R390-C394 PolarHBondContact O-SG 2.91Å |
| 391 | R | 63.6 | Low | 60.3 | Low | 63 Ų | 63 | 78.3 Ų | 78.3 | 24% | 0.238 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.2 | -51.9 | 175.7 | -71.5 | 169.5 | 172.5 | -127.1 | -28.1 | 112.6 | S63 E66 G387 L388 R389 L393 C394 C395 | S63-R391 PolarHBondContact OG-NH1 3.42Å; S63-R391 VanDerWaalsContact OG-NH1 3.11Å; E66-R391 IonicContact OE1-CZ 3.14Å; E66-R391 IonicContact OE1-NH2 2.76Å; E66-R391 PolarHBondContact OE1-NH2 2.88Å; E66-R391 IonicContact OE2-CZ 3.16Å; E66-R391 IonicContact OE2-NH1 2.75Å; E66-R391 PolarHBondContact OE2-NH1 3.05Å; E66-R391 IonicContact OE2-NH2 3.82Å; E66-R391 PolarHBondContact OE2-NH2 2.81Å; G387-R391 WeakPolarHBondContact O-CG 3.16Å; G387-R391 PolarHBondContact O-N 3.34Å; L388-R391 PolarHBondContact O-N 2.85Å; R389-R391 VanDerWaalsContact C-N 3.31Å; R389-R391 PolarHBondContact O-N 2.75Å; R391-L393 VanDerWaalsContact C-N 3.3Å; R391-L393 PolarHBondContact O-N 3.45Å; R391-C394 PolarHBondContact O-N 2.93Å; R391-C395 WeakPolarHBondContact O-CB 3.44Å; R391-C395 PolarHBondContact O-N 3.11Å; R391-C395 PolarHBondContact O-SG 3.49Å; R391-C395 VanDerWaalsContact O-SG 3.41Å |
| 392 | V | 62.1 | Low | 59.6 | Low | 22 Ų | 22 | 79 Ų | 79 | 13% | 0.133 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -59.7 | -42.2 | 177.3 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | L388 R389 C395 I396 | L388-V392 HydrophobicContact CD1-CG2 4.19Å; L388-V392 HydrophobicContact CG-CG2 4.42Å; L388-V392 WeakPolarHBondContact O-CG2 3.27Å; L388-V392 PolarHBondContact O-N 3.26Å; R389-V392 PolarHBondContact O-N 3.47Å; V392-C395 PolarHBondContact O-N 2.84Å; V392-I396 HydrophobicContact CG1-CD1 3.66Å; V392-I396 HydrophobicContact CG1-CG1 4.4Å; V392-I396 WeakPolarHBondContact O-CB 3.22Å; V392-I396 VanDerWaalsContact O-CG1 3.23Å; V392-I396 WeakPolarHBondContact O-CG1 3.32Å; V392-I396 PolarHBondContact O-N 3.11Å |
| 393 | L | 61.1 | Low | 59 | Low | 107 Ų | 107 | 84.5 Ų | 84.5 | 56% | 0.56 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -64.6 | -47.7 | 176.3 | -142.3 | 81.3 | 0 | 0 | 0 | 112.1 | R389 R391 C395 I396 Q397 | R389-L393 WeakPolarHBondContact O-CB 3.36Å; R389-L393 PolarHBondContact O-N 3.11Å; R391-L393 VanDerWaalsContact C-N 3.3Å; R391-L393 PolarHBondContact O-N 3.45Å; L393-C395 VanDerWaalsContact C-N 3.35Å; L393-C395 PolarHBondContact O-N 2.87Å; L393-I396 PolarHBondContact O-N 2.75Å; L393-Q397 WeakPolarHBondContact O-CB 3.14Å; L393-Q397 VanDerWaalsContact O-CG 3.25Å; L393-Q397 WeakPolarHBondContact O-CG 3.47Å; L393-Q397 PolarHBondContact O-N 2.8Å |
| 394 | C | 60.8 | Low | 58.2 | Low | 47 Ų | 47 | 84.2 Ų | 84.2 | 32% | 0.318 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.1 | -44.5 | 176.6 | -73.7 | 0 | 0 | 0 | 0 | 111.6 | R390 R391 Q397 W398 | R390-C394 WeakPolarHBondContact O-CB 3.31Å; R390-C394 PolarHBondContact O-N 2.89Å; R390-C394 PolarHBondContact O-SG 2.91Å; R391-C394 PolarHBondContact O-N 2.93Å; C394-Q397 CarbonylContact O-C 3.19Å; C394-Q397 WeakPolarHBondContact O-CB 3.04Å; C394-Q397 PolarHBondContact O-N 3.29Å; C394-W398 PolarHBondContact O-N 3.33Å |
| 395 | C | 60.5 | Low | 57.8 | Low | 54 Ų | 54 | 83.1 Ų | 83.1 | 37% | 0.365 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -71.7 | -34.4 | -179.2 | -69.7 | 0 | 0 | 0 | 0 | 112.9 | Y55 R391 V392 L393 Q397 W398 A399 | Y55-C395 HydrophobicContact CE2-CB 4.37Å; Y55-C395 WeakPolarHBondContact OH-CB 3.47Å; R391-C395 WeakPolarHBondContact O-CB 3.44Å; R391-C395 PolarHBondContact O-N 3.11Å; R391-C395 PolarHBondContact O-SG 3.49Å; R391-C395 VanDerWaalsContact O-SG 3.41Å; V392-C395 PolarHBondContact O-N 2.84Å; L393-C395 VanDerWaalsContact C-N 3.35Å; L393-C395 PolarHBondContact O-N 2.87Å; C395-Q397 VanDerWaalsContact C-N 3.33Å; C395-W398 PolarHBondContact O-N 2.95Å; C395-A399 WeakPolarHBondContact O-CB 3.15Å; C395-A399 PolarHBondContact O-N 2.91Å |
| 396 | I | 63.2 | Low | 57.4 | Low | 88 Ų | 88 | 86.7 Ų | 86.7 | 45% | 0.451 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65 | -39.4 | 169.4 | -71.1 | 169.8 | 0 | 0 | 0 | 110.3 | V392 L393 A399 A400 | V392-I396 HydrophobicContact CG1-CD1 3.66Å; V392-I396 HydrophobicContact CG1-CG1 4.4Å; V392-I396 WeakPolarHBondContact O-CB 3.22Å; V392-I396 VanDerWaalsContact O-CG1 3.23Å; V392-I396 WeakPolarHBondContact O-CG1 3.32Å; V392-I396 PolarHBondContact O-N 3.11Å; L393-I396 PolarHBondContact O-N 2.75Å; I396-A399 PolarHBondContact O-N 3.13Å; I396-A400 WeakPolarHBondContact O-CB 3.27Å; I396-A400 PolarHBondContact O-N 3.04Å |
| 397 | Q | 61.5 | Low | 57.2 | Low | 115 Ų | 115 | 92.3 Ų | 92.3 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 172.5 | -74.1 | 169.4 | -30.6 | 0 | 0 | 111.4 | L393 C394 C395 A399 A400 L401 | L393-Q397 WeakPolarHBondContact O-CB 3.14Å; L393-Q397 VanDerWaalsContact O-CG 3.25Å; L393-Q397 WeakPolarHBondContact O-CG 3.47Å; L393-Q397 PolarHBondContact O-N 2.8Å; C394-Q397 CarbonylContact O-C 3.19Å; C394-Q397 WeakPolarHBondContact O-CB 3.04Å; C394-Q397 PolarHBondContact O-N 3.29Å; C395-Q397 VanDerWaalsContact C-N 3.33Å; Q397-A399 PolarHBondContact O-N 3Å; Q397-A400 PolarHBondContact O-N 3.33Å; Q397-L401 WeakPolarHBondContact O-CB 3.47Å; Q397-L401 PolarHBondContact O-N 3.48Å |
| 398 | W | 59.2 | Low | 56.7 | Low | 189 Ų | 189 | 98.8 Ų | 98.8 | 72% | 0.716 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.3 | -37.6 | 175 | -78 | 113.1 | 0 | 0 | 0 | 112.9 | C394 C395 G402 | C394-W398 PolarHBondContact O-N 3.33Å; C395-W398 PolarHBondContact O-N 2.95Å; W398-G402 PolarHBondContact O-N 3.07Å |
| 399 | A | 61.4 | Low | 56.2 | Low | 55 Ų | 55 | 107.2 Ų | 107.2 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.7 | -47.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | C395 I396 Q397 L401 G402 I403 | C395-A399 WeakPolarHBondContact O-CB 3.15Å; C395-A399 PolarHBondContact O-N 2.91Å; I396-A399 PolarHBondContact O-N 3.13Å; Q397-A399 PolarHBondContact O-N 3Å; A399-L401 PolarHBondContact O-N 3.3Å; A399-G402 PolarHBondContact O-N 3.37Å; A399-I403 VanDerWaalsContact O-CG1 3.28Å; A399-I403 WeakPolarHBondContact O-CG1 3.5Å; A399-I403 PolarHBondContact O-N 3.4Å |
| 400 | A | 59.4 | Low | 55.3 | Low | 50 Ų | 50 | 107.6 Ų | 107.6 | 41% | 0.413 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.3 | -43.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I396 Q397 I403 L404 | I396-A400 WeakPolarHBondContact O-CB 3.27Å; I396-A400 PolarHBondContact O-N 3.04Å; Q397-A400 PolarHBondContact O-N 3.33Å; A400-I403 PolarHBondContact O-N 3.23Å; A400-L404 WeakPolarHBondContact O-CD1 3.4Å; A400-L404 PolarHBondContact O-N 3.46Å |
| 401 | L | 57.1 | Low | 54.2 | Low | 97 Ų | 97 | 109.4 Ų | 109.4 | 51% | 0.508 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.5 | -39.3 | 177 | -156.1 | 75 | 0 | 0 | 0 | 111.3 | Q397 A399 L404 C405 | Q397-L401 WeakPolarHBondContact O-CB 3.47Å; Q397-L401 PolarHBondContact O-N 3.48Å; A399-L401 PolarHBondContact O-N 3.3Å; L401-L404 PolarHBondContact O-N 2.64Å; L401-C405 VanDerWaalsContact O-CB 3.25Å; L401-C405 WeakPolarHBondContact O-CB 3.45Å; L401-C405 PolarHBondContact O-N 2.99Å; L401-C405 PolarHBondContact O-SG 3.25Å |
| 402 | G | 54 | Low | 52.8 | Low | 33 Ų | 33 | 113.8 Ų | 113.8 | 34% | 0.34 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60.8 | -45.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | W398 A399 L404 C405 C406 | W398-G402 PolarHBondContact O-N 3.07Å; A399-G402 PolarHBondContact O-N 3.37Å; G402-L404 VanDerWaalsContact C-N 3.34Å; G402-L404 PolarHBondContact O-N 3.3Å; G402-C405 PolarHBondContact O-N 3.47Å; G402-C406 PolarHBondContact O-N 3.2Å; G402-C406 VanDerWaalsContact O-N 3.1Å; G402-C406 PolarHBondContact O-SG 2.84Å; G402-C406 VanDerWaalsContact O-SG 3.32Å |
| 403 | I | 55 | Low | 51.6 | Low | 127 Ų | 127 | 120.9 Ų | 120.9 | 65% | 0.651 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.4 | -37.3 | 177.8 | -68.9 | 164.5 | 0 | 0 | 0 | 111.5 | A399 A400 | A399-I403 VanDerWaalsContact O-CG1 3.28Å; A399-I403 WeakPolarHBondContact O-CG1 3.5Å; A399-I403 PolarHBondContact O-N 3.4Å; A400-I403 PolarHBondContact O-N 3.23Å |
| 404 | L | 50.2 | Low | 50.6 | Low | 124 Ų | 124 | 119.6 Ų | 119.6 | 65% | 0.649 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -72.8 | -44.5 | 172.7 | -89.4 | 80.4 | 0 | 0 | 0 | 112.7 | A400 L401 G402 C406 K407 | A400-L404 WeakPolarHBondContact O-CD1 3.4Å; A400-L404 PolarHBondContact O-N 3.46Å; L401-L404 PolarHBondContact O-N 2.64Å; G402-L404 VanDerWaalsContact C-N 3.34Å; G402-L404 PolarHBondContact O-N 3.3Å; L404-C406 PolarHBondContact O-N 2.77Å; L404-K407 PolarHBondContact O-N 3.37Å |
| 405 | C | 48.2 | Very low | 49.4 | Very low | 78 Ų | 78 | 127 Ų | 127 | 53% | 0.527 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -62.9 | -24.5 | -178.3 | -75.7 | 0 | 0 | 0 | 0 | 113.3 | L401 G402 K407 Q408 | L401-C405 VanDerWaalsContact O-CB 3.25Å; L401-C405 WeakPolarHBondContact O-CB 3.45Å; L401-C405 PolarHBondContact O-N 2.99Å; L401-C405 PolarHBondContact O-SG 3.25Å; G402-C405 PolarHBondContact O-N 3.47Å; C405-K407 PolarHBondContact O-N 3.42Å; C405-Q408 PolarHBondContact O-N 3.35Å |
| 406 | C | 47.3 | Very low | 48.1 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 78% | 0.784 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -8.8 | 171.8 | -73.1 | 0 | 0 | 0 | 0 | 114.6 | G402 L404 | G402-C406 PolarHBondContact O-N 3.2Å; G402-C406 VanDerWaalsContact O-N 3.1Å; G402-C406 PolarHBondContact O-SG 2.84Å; G402-C406 VanDerWaalsContact O-SG 3.32Å; L404-C406 PolarHBondContact O-N 2.77Å |
| 407 | K | 45.8 | Very low | 47.3 | Very low | 192 Ų | 192 | 134.5 Ų | 134.5 | 84% | 0.835 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | -2.6 | 176.4 | -81.9 | -160.4 | 170.6 | -170.7 | 0 | 116 | L404 C405 | L404-K407 PolarHBondContact O-N 3.37Å; C405-K407 PolarHBondContact O-N 3.42Å |
| 408 | Q | 43.1 | Very low | 46.2 | Very low | 175 Ų | 175 | 132.4 Ų | 132.4 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | trans | -133.5 | 73.5 | -180 | -75.3 | -174.8 | -40.3 | 0 | 0 | 113.1 | C405 | C405-Q408 PolarHBondContact O-N 3.35Š| ||
| 409 | K | 44.7 | Very low | 45.1 | Very low | 200 Ų | 200 | 129 Ų | 129 | 87% | 0.87 | 72% | 0.718 | S | S | * | * | trans | -138.2 | 81.1 | 161.3 | -82.6 | -167 | 174.1 | 178.7 | 0 | 112.4 | ||||
| 410 | T | 42.1 | Very low | 44.2 | Very low | 131 Ų | 131 | 134.5 Ų | 134.5 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | trans | -133.8 | 125.5 | 154.2 | 45.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 411 | R | 37 | Very low | 43.4 | Very low | 234 Ų | 234 | 140.5 Ų | 140.5 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | trans | 63.8 | 154.9 | 176.5 | -65.5 | -177.8 | 170.5 | -155.5 | -4 | 115.4 | ||||
| 412 | L | 35 | Very low | 42.8 | Very low | 155 Ų | 155 | 142.8 Ų | 142.8 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | cis | -137.1 | -165.2 | -6.5 | -126.6 | 162.8 | 0 | 0 | 0 | 110.5 | ||||
| 413 | H | 36.2 | Very low | 42 | Very low | 172 Ų | 172 | 148.2 Ų | 148.2 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | trans | -109.6 | 154.2 | -151.3 | -154.8 | -122.5 | 0 | 0 | 0 | 115.3 | ||||
| 414 | A | 40.7 | Very low | 41.5 | Very low | 79 Ų | 79 | 152.9 Ų | 152.9 | 65% | 0.653 | 81% | 0.807 | S | S | * | * | trans | 53.4 | 116.7 | 153.6 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 415 | M | 34.8 | Very low | 40.9 | Very low | 202 Ų | 202 | 153.6 Ų | 153.6 | 100% | 0.995 | 81% | 0.812 | S | S | * | * | trans | 171.9 | 139.9 | 131.9 | -96.2 | -175.1 | -177.3 | 0 | 0 | 107.7 | ||||
| 416 | G | 34.8 | Very low | 40.6 | Very low | 72 Ų | 72 | 159.9 Ų | 159.9 | 74% | 0.742 | 83% | 0.83 | S | S | * | * | cis | -169.6 | 151.3 | -11.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | G418 | G416-G418 PolarHBondContact O-N 3.19Š| ||
| 417 | K | 46.6 | Very low | 40.2 | Very low | 228 Ų | 228 | 160 Ų | 160 | 99% | 0.991 | 83% | 0.832 | S | S | * | * | trans | -79.5 | 112.6 | 177.8 | -77.6 | -176.6 | 177.1 | 178.4 | 0 | 110.3 | ||||
| 418 | G | 37.3 | Very low | 39.9 | Very low | 72 Ų | 72 | 156 Ų | 156 | 74% | 0.742 | 83% | 0.828 | S | S | * | * | trans | -137.7 | 135.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | G416 | G416-G418 PolarHBondContact O-N 3.19Š| ||
| 419 | S | 35.8 | Very low | 39.7 | Very low | 116 Ų | 116 | 156.6 Ų | 156.6 | 81% | 0.811 | 83% | 0.83 | S | S | * | * | trans | -78.4 | 133.2 | 176.8 | -168.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 420 | L | 42.3 | Very low | 39.3 | Very low | 172 Ų | 172 | 154.8 Ų | 154.8 | 90% | 0.901 | 83% | 0.825 | S | S | * | * | trans | -108.7 | 59.8 | -171.5 | -149.7 | 166.5 | 0 | 0 | 0 | 111 | ||||
| 421 | E | 42.9 | Very low | 38.9 | Very low | 176 Ų | 176 | 157.6 Ų | 157.6 | 82% | 0.822 | 83% | 0.829 | S | S | * | * | trans | -130.1 | 21.6 | 179.6 | -159.4 | 157.7 | -144 | 0 | 0 | 113.5 | ||||
| 422 | V | 44.4 | Very low | 38.9 | Very low | 144 Ų | 144 | 153.2 Ų | 153.2 | 87% | 0.873 | 83% | 0.828 | S | S | * | * | trans | -135.2 | 73.4 | 171.4 | -168.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 423 | N | 36.9 | Very low | 38.7 | Very low | 148 Ų | 148 | 153.2 Ų | 153.2 | 79% | 0.791 | 83% | 0.829 | S | S | * | * | trans | -161.6 | 84.5 | 142.1 | -154.4 | -24.7 | 0 | 0 | 0 | 111.7 | ||||
| 424 | R | 45.8 | Very low | 38.7 | Very low | 225 Ų | 225 | 150.1 Ų | 150.1 | 85% | 0.849 | 83% | 0.827 | S | S | * | * | trans | -115.9 | 134.3 | 167.9 | -169.3 | 176 | 175.3 | 146 | -0.6 | 108.1 | ||||
| 425 | N | 38.1 | Very low | 38.4 | Very low | 139 Ų | 139 | 151 Ų | 151 | 74% | 0.743 | 83% | 0.834 | S | S | * | * | trans | 78.8 | 85.9 | 179.6 | -45.7 | -31.2 | 0 | 0 | 0 | 116.7 | ||||
| 426 | K | 40.2 | Very low | 38.3 | Very low | 210 Ų | 210 | 152.1 Ų | 152.1 | 91% | 0.913 | 83% | 0.829 | S | S | * | * | trans | -172.3 | 99.4 | 139.8 | -107.7 | 166.7 | -175.4 | 179.8 | 0 | 112.3 | ||||
| 427 | S | 40.1 | Very low | 38.2 | Very low | 117 Ų | 117 | 154.5 Ų | 154.5 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -169.5 | 95.7 | 156.4 | -174.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 428 | S | 39.4 | Very low | 37.5 | Very low | 108 Ų | 108 | 150.8 Ų | 150.8 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | trans | -99.9 | 111.1 | -178.4 | 50.1 | 0 | 0 | 0 | 0 | 110.3 | H430 | S428-H430 PolarHBondContact O-N 3.4Š| ||
| 429 | H | 39.5 | Very low | 37.3 | Very low | 188 Ų | 188 | 152.8 Ų | 152.8 | 87% | 0.87 | 82% | 0.821 | S | S | * | * | trans | -79.1 | 116.8 | 163.6 | -97.8 | -83.6 | 0 | 0 | 0 | 109.7 | ||||
| 430 | H | 35.1 | Very low | 38.2 | Very low | 162 Ų | 162 | 152.5 Ų | 152.5 | 75% | 0.75 | 82% | 0.816 | S | S | * | * | trans | -81.9 | 139.7 | 155.3 | -96.5 | -92.5 | 0 | 0 | 0 | 108.8 | S428 | S428-H430 PolarHBondContact O-N 3.4Š| ||
| 431 | E | 34.1 | Very low | 37.6 | Very low | 191 Ų | 191 | 154.1 Ų | 154.1 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | -179.9 | 118.6 | 117.6 | -99.2 | 175.3 | -170.3 | 0 | 0 | 110 | |||||
| 432 | T | 35.9 | Very low | 37.7 | Very low | 142 Ų | 142 | 151.3 Ų | 151.3 | 87% | 0.871 | 81% | 0.813 | S | S | * | * | trans | -140.3 | 147.9 | 170.8 | 40.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 433 | N | 32.2 | Very low | 38.1 | Very low | 155 Ų | 155 | 149.3 Ų | 149.3 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | trans | -72.4 | 155.8 | -167.1 | -97.6 | -62 | 0 | 0 | 0 | 115 | ||||
| 434 | S | 36.5 | Very low | 37.9 | Very low | 107 Ų | 107 | 153.6 Ų | 153.6 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | 45.8 | 125.5 | 149.4 | 62.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 435 | A | 34.6 | Very low | 37.3 | Very low | 97 Ų | 97 | 152.3 Ų | 152.3 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | -172.9 | 168.6 | 66.1 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 436 | Y | 31.4 | Very low | 36.9 | Very low | 226 Ų | 226 | 153.1 Ų | 153.1 | 89% | 0.886 | 81% | 0.812 | S | S | * | * | trans | -44.6 | 163.3 | 178.1 | -86.1 | -92.2 | 0 | 0 | 0 | 120.3 | ||||
| 437 | V | 32.8 | Very low | 36.7 | Very low | 122 Ų | 122 | 149.4 Ų | 149.4 | 74% | 0.739 | 81% | 0.807 | S | S | * | * | trans | 96.3 | 107.1 | 145.1 | 157.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 438 | L | 33 | Very low | 36.4 | Very low | 150 Ų | 150 | 150.9 Ų | 150.9 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | 55.7 | 107.7 | 139.2 | -57.5 | 177.1 | 0 | 0 | 0 | 123.1 | ||||
| 439 | S | 33.4 | Very low | 36.3 | Very low | 113 Ų | 113 | 155.4 Ų | 155.4 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | 65.7 | 161.1 | 117.9 | -82 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 440 | P | 52.7 | Low | 36 | Very low | 110 Ų | 110 | 150.7 Ų | 150.7 | 71% | 0.714 | 81% | 0.808 | S | S | * | * | trans | -127.7 | 162.2 | -139.3 | 42.6 | -31 | 0 | 0 | 0 | 117.8 | ||||
| 441 | K | 30.5 | Very low | 35.9 | Very low | 206 Ų | 206 | 149.6 Ų | 149.6 | 90% | 0.896 | 82% | 0.817 | S | S | * | * | trans | 177.8 | 155.9 | 133.5 | -97.7 | 155.1 | -174.4 | 176.2 | 0 | 113.8 | ||||
| 442 | P | 45.8 | Very low | 35.7 | Very low | 117 Ų | 117 | 144.1 Ų | 144.1 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | trans | -107.6 | -156.5 | 168.4 | 46.1 | -37.2 | 0 | 0 | 0 | 110 | ||||
| 443 | P | 51.7 | Low | 36.1 | Very low | 103 Ų | 103 | 143 Ų | 143 | 67% | 0.669 | 81% | 0.808 | S | S | * | * | cis | -136.8 | -164.8 | -15.6 | 41.1 | -22 | 0 | 0 | 0 | 114.9 | ||||
| 444 | R | 33.1 | Very low | 36.1 | Very low | 237 Ų | 237 | 141 Ų | 141 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | trans | 74.7 | 123 | 150.4 | -75.7 | 176 | 175.6 | 178.5 | -2.2 | 123.1 | ||||
| 445 | K | 32.5 | Very low | 35.9 | Very low | 198 Ų | 198 | 147.3 Ų | 147.3 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | 172.4 | 140.3 | 119.4 | -93.7 | 173.2 | -179.9 | -177.2 | 0 | 107.8 | |||||
| 446 | L | 31.4 | Very low | 35.9 | Very low | 156 Ų | 156 | 147.6 Ų | 147.6 | 82% | 0.817 | 81% | 0.809 | S | S | * | * | cis | 79.5 | 109.6 | 22 | -160.1 | 117.5 | 0 | 0 | 0 | 115.9 | ||||
| 447 | V | 34.6 | Very low | 36.1 | Very low | 132 Ų | 132 | 148.1 Ų | 148.1 | 80% | 0.8 | 81% | 0.81 | S | S | * | * | trans | 174.2 | 147 | 137.5 | 148.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 448 | D | 34.8 | Very low | 35.9 | Very low | 149 Ų | 149 | 149.2 Ų | 149.2 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -87.4 | 161.3 | -176.6 | -45.3 | -97.5 | 0 | 0 | 0 | 114.7 | ||||
| 449 | Q | 36.7 | Very low | 35.9 | Very low | 203 Ų | 203 | 147.4 Ų | 147.4 | 95% | 0.949 | 81% | 0.81 | S | S | * | * | trans | -153 | 156.4 | 149 | -142 | 167.4 | 6.2 | 0 | 0 | 111.4 | ||||
| 450 | A | 33.3 | Very low | 35.7 | Very low | 88 Ų | 88 | 148.7 Ų | 148.7 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -137.9 | -180 | -158.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 451 | C | 32.3 | Very low | 34.7 | Very low | 139 Ų | 139 | 148.9 Ų | 148.9 | 94% | 0.939 | 81% | 0.812 | S | S | * | * | trans | 87.1 | 125.5 | 165.7 | -61 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 452 | G | 30.4 | Very low | 34.7 | Very low | 77 Ų | 77 | 144.4 Ų | 144.4 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | 144.1 | 87.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 453 | P | 44.9 | Very low | 35 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | trans | -115.2 | -176.3 | 176.2 | 40.9 | -31.9 | 0 | 0 | 0 | 114.9 | ||||
| 454 | S | 32.6 | Very low | 34 | Very low | 112 Ų | 112 | 150.6 Ų | 150.6 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | trans | 89.1 | 144.6 | 177.3 | -33.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 455 | R | 31.7 | Very low | 33.9 | Very low | 241 Ų | 241 | 142.9 Ų | 142.9 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | cis | -142.8 | 174.7 | 4.2 | -63.6 | -179.3 | 179 | -167.9 | 0.1 | 107.8 | ||||
| 456 | S | 34.3 | Very low | 33.9 | Very low | 103 Ų | 103 | 140.5 Ų | 140.5 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | cis | -167.1 | 132.1 | -13.8 | 35.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 457 | R | 34.6 | Very low | 33.8 | Very low | 237 Ų | 237 | 136.8 Ų | 136.8 | 89% | 0.894 | 80% | 0.803 | S | S | * | * | 72.9 | 127.8 | 80.3 | -164.2 | 177.5 | -176.3 | 172.3 | 3.1 | 115.4 | |||||
| 458 | D | 29.7 | Very low | 33.6 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | trans | -90.2 | -160.5 | -169.5 | -43.2 | -100.7 | 0 | 0 | 0 | 114.9 | ||||
| 459 | C | 32.4 | Very low | 33.3 | Very low | 113 Ų | 113 | 141.4 Ų | 141.4 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | 84.2 | 139.4 | 169.2 | -65 | 0 | 0 | 0 | 0 | 117 | ||||
| 460 | D | 30.1 | Very low | 33.1 | Very low | 140 Ų | 140 | 141.5 Ų | 141.5 | 75% | 0.749 | 81% | 0.808 | S | S | * | * | cis | -166.5 | -178.6 | -16.9 | -132 | -57.7 | 0 | 0 | 0 | 112.9 | ||||
| 461 | S | 31.8 | Very low | 33.2 | Very low | 113 Ų | 113 | 143 Ų | 143 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | 83.2 | 163.2 | 156.6 | 80.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 462 | S | 30.6 | Very low | 32.9 | Very low | 112 Ų | 112 | 147.8 Ų | 147.8 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | -143 | -178.7 | -169.1 | -139.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 463 | P | 51.6 | Low | 33 | Very low | 104 Ų | 104 | 152 Ų | 152 | 68% | 0.675 | 81% | 0.812 | S | S | * | * | cis | -143.9 | 176 | 9.7 | 42.8 | -23.7 | 0 | 0 | 0 | 118.3 | ||||
| 464 | R | 31.4 | Very low | 32.5 | Very low | 246 Ų | 246 | 152.3 Ų | 152.3 | 93% | 0.928 | 81% | 0.814 | S | S | * | * | trans | 68.1 | 149.5 | 154 | -87.4 | -179.3 | 178.5 | -175 | -0 | 117.8 | ||||
| 465 | A | 30.8 | Very low | 32.2 | Very low | 75 Ų | 75 | 152.4 Ų | 152.4 | 62% | 0.62 | 82% | 0.815 | S | S | * | * | cis | -153.6 | 173.2 | -1.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 466 | T | 31.2 | Very low | 32 | Very low | 149 Ų | 149 | 147.7 Ų | 147.7 | 91% | 0.914 | 81% | 0.813 | S | S | * | * | trans | 61.1 | 125.6 | 159.2 | 47 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 467 | G | 30 | Very low | 31.8 | Very low | 77 Ų | 77 | 148.4 Ų | 148.4 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | 170.5 | 54.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 468 | V | 30.2 | Very low | 31.7 | Very low | 143 Ų | 143 | 143.7 Ų | 143.7 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | trans | 25.5 | 130 | 159.7 | -173.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 469 | R | 28.8 | Very low | 31.9 | Very low | 235 Ų | 235 | 142.9 Ų | 142.9 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | trans | -41.1 | 143.5 | 170.8 | -59.5 | 166.3 | 170.4 | 164.1 | -5.6 | 118.4 | ||||
| 470 | K | 31.7 | Very low | 31.6 | Very low | 205 Ų | 205 | 146.3 Ų | 146.3 | 89% | 0.891 | 83% | 0.825 | S | S | * | * | -164 | 148.9 | 115.4 | -108.3 | 173.1 | -178 | 176.6 | 0 | 112.3 | |||||
| 471 | P | 35.5 | Very low | 31.4 | Very low | 121 Ų | 121 | 146.1 Ų | 146.1 | 79% | 0.786 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 159.1 | -171.5 | 37.6 | -35.1 | 0 | 0 | 0 | 115.1 | ||
| 472 | R | 26.4 | Very low | 31.3 | Very low | 238 Ų | 238 | 147.2 Ų | 147.2 | 90% | 0.898 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 154 | 164.9 | -81.2 | -178.6 | 170.2 | 166.2 | -3.1 | 111.1 | ||
| 473 | L | 33.3 | Very low | 31.2 | Very low | 166 Ų | 166 | 150.8 Ų | 150.8 | 87% | 0.869 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 145.2 | 163.4 | -87.3 | 67.6 | 0 | 0 | 0 | 110.8 | ||
| 474 | P | 34.3 | Very low | 30.3 | Very low | 124 Ų | 124 | 153.8 Ų | 153.8 | 81% | 0.805 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 150.2 | 152.7 | 35.5 | -28.6 | 0 | 0 | 0 | 111.6 | ||
| 475 | S | 25.6 | Very low | 30.2 | Very low | 114 Ų | 114 | 148.4 Ų | 148.4 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 169.3 | -175.4 | -58.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 476 | T | 27.7 | Very low | 30.3 | Very low | 143 Ų | 143 | 150.7 Ų | 150.7 | 88% | 0.877 | 83% | 0.825 | S | S | * | * | trans | -40.7 | 138.5 | 167.1 | 49.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 477 | S | 29.9 | Very low | 30.2 | Very low | 117 Ų | 117 | 153.3 Ų | 153.3 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -132.8 | 147 | 155.9 | 51.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 478 | T | 33.9 | Very low | 30.1 | Very low | 138 Ų | 138 | 160 Ų | 160 | 85% | 0.847 | 82% | 0.823 | S | S | * | * | trans | -103.3 | 147.6 | -179.8 | 43.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 479 | P | 32.8 | Very low | 30 | Very low | 127 Ų | 127 | 158 Ų | 158 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -110.6 | 158.8 | 157.7 | 34.7 | -26 | 0 | 0 | 0 | 112.1 | ||||
| 480 | M | 25.4 | Very low | 30.1 | Very low | 185 Ų | 185 | 153 Ų | 153 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | trans | -77.8 | 141.7 | -166.5 | -72.3 | 179.4 | 171.4 | 0 | 0 | 115.3 | T482 | M480-T482 PolarHBondContact O-N 3.5Š| ||
| 481 | N | 26.5 | Very low | 30.1 | Very low | 136 Ų | 136 | 153.5 Ų | 153.5 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -46.1 | 122.7 | 158.2 | 177.5 | 6 | 0 | 0 | 0 | 112.8 | ||||
| 482 | T | 30.7 | Very low | 29.8 | Very low | 136 Ų | 136 | 155.3 Ų | 155.3 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | -120 | 123.9 | 159.9 | 50.5 | 0 | 0 | 0 | 0 | 109.6 | M480 | M480-T482 PolarHBondContact O-N 3.5Š| ||
| 483 | R | 28.7 | Very low | 29.8 | Very low | 188 Ų | 188 | 149.8 Ų | 149.8 | 71% | 0.709 | 80% | 0.803 | S | S | * | * | trans | -114 | 107.6 | -158.8 | -177.5 | -171.3 | -175 | -178.7 | 5.6 | 111.9 | E485 | R483-E485 HydrophobicContact CG-CG 4.35Å; R483-E485 IonicContact CZ-OE2 3.5Å; R483-E485 IonicContact NE-OE2 2.94Å; R483-E485 PolarHBondContact NE-OE2 3.48Å; R483-E485 IonicContact NH2-OE2 3.42Å; R483-E485 PolarHBondContact NH2-OE2 2.87Å; R483-E485 VanDerWaalsContact NH2-OE2 3.16Å | ||
| 484 | I | 30.9 | Very low | 29.7 | Very low | 166 Ų | 166 | 147 Ų | 147 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -133.8 | 100.6 | 167.5 | -56.8 | -178 | 0 | 0 | 0 | 108.5 | ||||
| 485 | E | 30.9 | Very low | 29.7 | Very low | 133 Ų | 133 | 147.2 Ų | 147.2 | 62% | 0.621 | 80% | 0.799 | S | S | * | * | trans | -103.1 | 133.1 | -178.6 | -61 | 174.7 | 107.3 | 0 | 0 | 110.7 | R483 | R483-E485 HydrophobicContact CG-CG 4.35Å; R483-E485 IonicContact CZ-OE2 3.5Å; R483-E485 IonicContact NE-OE2 2.94Å; R483-E485 PolarHBondContact NE-OE2 3.48Å; R483-E485 IonicContact NH2-OE2 3.42Å; R483-E485 PolarHBondContact NH2-OE2 2.87Å; R483-E485 VanDerWaalsContact NH2-OE2 3.16Å | ||
| 486 | P | 32.3 | Very low | 29.8 | Very low | 123 Ų | 123 | 147.5 Ų | 147.5 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | trans | -104 | 118.3 | 151 | -3.8 | 23.7 | 0 | 0 | 0 | 109.5 | Y488 | P486-Y488 PolarHBondContact O-N 3.31Š| ||
| 487 | Y | 28.6 | Very low | 29.9 | Very low | 205 Ų | 205 | 145.6 Ų | 145.6 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -44.2 | 127.7 | -177 | -95.5 | -120.2 | 0 | 0 | 0 | 115 | ||||
| 488 | Y | 28.1 | Very low | 29.9 | Very low | 217 Ų | 217 | 143.2 Ų | 143.2 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | -158.8 | 86.3 | 143.5 | -107 | -64.5 | 0 | 0 | 0 | 110.7 | P486 | P486-Y488 PolarHBondContact O-N 3.31Š| ||
| 489 | S | 29.4 | Very low | 30 | Very low | 102 Ų | 102 | 143 Ų | 143 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | -135.7 | 84.2 | 174.3 | 58.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 490 | I | 30.6 | Very low | 29.7 | Very low | 129 Ų | 129 | 142.7 Ų | 142.7 | 66% | 0.662 | 80% | 0.795 | S | S | * | * | trans | -128.8 | 138.9 | 167 | -55 | 178.7 | 0 | 0 | 0 | 105.5 | ||||
| 491 | Y | 30.9 | Very low | 29.9 | Very low | 215 Ų | 215 | 139.4 Ų | 139.4 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 68.2 | 65.7 | -168 | -46.5 | -71.5 | 0 | 0 | 0 | 114.7 | ||
| 492 | N | 29.1 | Very low | 30.5 | Very low | 159 Ų | 159 | 138.4 Ų | 138.4 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -155.6 | 98.4 | 148.7 | -106.4 | -19.4 | 0 | 0 | 0 | 109.1 | ||||
| 493 | S | 27.2 | Very low | 30.3 | Very low | 122 Ų | 122 | 138 Ų | 138 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -137.9 | 74.4 | -178.3 | -56.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 494 | S | 30.3 | Very low | 30.2 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 131.6 | 169.2 | -58.2 | 0 | 0 | 0 | 0 | 109.1 | ||
| 495 | P | 33.7 | Very low | 30 | Very low | 130 Ų | 130 | 134 Ų | 134 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 132.6 | 177.6 | 28.7 | -33.6 | 0 | 0 | 0 | 110.7 | ||
| 496 | S | 27.8 | Very low | 29.7 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 117.6 | 174.6 | 54.1 | 0 | 0 | 0 | 0 | 110.9 | ||
| 497 | A | 31.2 | Very low | 30.2 | Very low | 103 Ų | 103 | 135 Ų | 135 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 127 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 498 | G | 30.1 | Very low | 30.2 | Very low | 66 Ų | 66 | 132.8 Ų | 132.8 | 68% | 0.68 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 167.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 499 | P | 35 | Very low | 30.1 | Very low | 135 Ų | 135 | 127 Ų | 127 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 148.3 | -163.4 | 33.9 | -36.1 | 0 | 0 | 0 | 114.7 | ||
| 500 | S | 25.4 | Very low | 30 | Very low | 119 Ų | 119 | 126.2 Ų | 126.2 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -139.6 | 135.7 | 156 | 58.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 501 | S | 29.9 | Very low | 29.9 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -154 | 163.5 | 177.8 | -66.3 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 502 | P | 40 | Very low | 29.7 | Very low | 116 Ų | 116 | 123.6 Ų | 123.6 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | cis | -107.9 | -171.9 | 13.2 | 39.4 | -25.2 | 0 | 0 | 0 | 112 | ||||
| 503 | T | 26.1 | Very low | 29.6 | Very low | 127 Ų | 127 | 125.8 Ų | 125.8 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | cis | -158.5 | -173.9 | 29.9 | -15.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 504 | S | 26.2 | Very low | 29.6 | Very low | 98 Ų | 98 | 124.7 Ų | 124.7 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | cis | -156.4 | 168.6 | 6.7 | 42.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 505 | L | 27.6 | Very low | 29.5 | Very low | 172 Ų | 172 | 129.4 Ų | 129.4 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | trans | 24.7 | 123.7 | 152.6 | -63.8 | 170.1 | 0 | 0 | 0 | 122.4 | ||||
| 506 | H | 24.7 | Very low | 29.3 | Very low | 183 Ų | 183 | 130.1 Ų | 130.1 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | trans | -73.7 | -170.9 | 162.9 | -128.9 | -3.5 | 0 | 0 | 0 | 111.5 | ||||
| 507 | P | 42.7 | Very low | 29.4 | Very low | 95 Ų | 95 | 133.4 Ų | 133.4 | 62% | 0.617 | 79% | 0.788 | S | S | * | * | cis | -143.7 | -167.5 | 2.1 | 31.9 | -5.6 | 0 | 0 | 0 | 116.8 | ||||
| 508 | I | 27.4 | Very low | 29.2 | Very low | 158 Ų | 158 | 132.6 Ų | 132.6 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | 62.8 | 153.7 | 162.7 | 17.4 | 179.1 | 0 | 0 | 0 | 117.8 | ||||
| 509 | S | 26.3 | Very low | 29.1 | Very low | 94 Ų | 94 | 139.4 Ų | 139.4 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | cis | -153.6 | 147.3 | 5.8 | 122 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 510 | S | 27 | Very low | 28.8 | Very low | 87 Ų | 87 | 140 Ų | 140 | 61% | 0.608 | 78% | 0.783 | S | S | * | * | trans | 45.3 | 138.5 | 135 | -26.4 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 511 | Q | 28.6 | Very low | 28.9 | Very low | 181 Ų | 181 | 138.1 Ų | 138.1 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | 69.6 | 165.1 | 145.2 | -67.5 | 176 | 25 | 0 | 0 | 118.6 | ||||
| 512 | T | 27.2 | Very low | 28.8 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 66% | 0.663 | 77% | 0.774 | S | S | * | * | cis | -169 | 128.5 | -33.4 | -87.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 513 | F | 28.1 | Very low | 28.2 | Very low | 205 Ų | 205 | 141.9 Ų | 141.9 | 90% | 0.899 | 77% | 0.771 | S | S | * | * | trans | 47.4 | 129.7 | 165 | -79.4 | -127.1 | 0 | 0 | 0 | 120.3 | ||||
| 514 | A | 26.6 | Very low | 28.3 | Very low | 99 Ų | 99 | 145.9 Ų | 145.9 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | 173.9 | 151.9 | 123.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 515 | F | 28.7 | Very low | 28.3 | Very low | 205 Ų | 205 | 148.2 Ų | 148.2 | 90% | 0.899 | 77% | 0.773 | S | S | * | * | trans | -95.7 | 149.7 | 159 | -96.1 | -111.2 | 0 | 0 | 0 | 109.2 | ||||
| 516 | V | 28.3 | Very low | 28.4 | Very low | 145 Ų | 145 | 145.3 Ų | 145.3 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | 166.7 | 157.6 | 125.8 | 156 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 517 | K | 31.1 | Very low | 28.6 | Very low | 190 Ų | 190 | 143.6 Ų | 143.6 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | trans | -76.2 | 156 | -173.8 | -57.8 | 172.2 | 172.6 | 176.3 | 0 | 114 | ||||
| 518 | S | 26.1 | Very low | 27.9 | Very low | 86 Ų | 86 | 145.2 Ų | 145.2 | 60% | 0.601 | 75% | 0.754 | S | S | * | * | 117.1 | 140.6 | 116 | -101.8 | 0 | 0 | 0 | 0 | 121 | |||||
| 519 | Y | 27.6 | Very low | 28 | Very low | 208 Ų | 208 | 143.9 Ų | 143.9 | 82% | 0.816 | 75% | 0.749 | S | S | * | * | trans | 48.9 | 113.8 | 158 | -59 | -63.4 | 0 | 0 | 0 | 121.2 | ||||
| 520 | V | 29.5 | Very low | 28.2 | Very low | 148 Ų | 148 | 142.9 Ų | 142.9 | 90% | 0.897 | 75% | 0.746 | S | S | * | * | -125.4 | 140 | 129.5 | 177.2 | 0 | 0 | 0 | 0 | 107 | |||||
| 521 | A | 27.3 | Very low | 28.5 | Very low | 79 Ų | 79 | 146.3 Ų | 146.3 | 65% | 0.653 | 76% | 0.757 | S | S | * | * | trans | -109.6 | 159.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 522 | M | 28.5 | Very low | 28.6 | Very low | 163 Ų | 163 | 144.5 Ų | 144.5 | 80% | 0.803 | 75% | 0.748 | S | S | * | * | trans | -138 | 103.6 | 166.1 | -98.9 | -77.3 | -82.6 | 0 | 0 | 108.3 | Y524 | M522-Y524 HydrophobicContact CE-CD2 4.39Å; M522-Y524 HydrophobicContact CE-CE2 4Å | ||
| 523 | H | 25.9 | Very low | 28.7 | Very low | 148 Ų | 148 | 145 Ų | 145 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | trans | -87 | 145.6 | 167.6 | -95.1 | -93.6 | 0 | 0 | 0 | 109.4 | ||||
| 524 | Y | 28.1 | Very low | 28.9 | Very low | 211 Ų | 211 | 143.7 Ų | 143.7 | 83% | 0.827 | 74% | 0.741 | S | S | * | * | trans | -130.5 | 123.8 | 141.5 | -93.3 | -84 | 0 | 0 | 0 | 109.5 | M522 | M522-Y524 HydrophobicContact CE-CD2 4.39Å; M522-Y524 HydrophobicContact CE-CE2 4Å | ||
| 525 | H | 27.9 | Very low | 29 | Very low | 147 Ų | 147 | 145.7 Ų | 145.7 | 68% | 0.681 | 74% | 0.738 | S | S | * | * | trans | -70.8 | 169.6 | 159.6 | -79.1 | -89 | 0 | 0 | 0 | 108.8 | ||||
| 526 | T | 29.8 | Very low | 29.1 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 69% | 0.687 | 73% | 0.729 | S | S | * | * | cis | -156.6 | -177 | 10.7 | -2.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 527 | H | 27.5 | Very low | 29.4 | Very low | 146 Ų | 146 | 140.6 Ų | 140.6 | 68% | 0.676 | 73% | 0.728 | S | S | * | * | cis | -158.2 | 153.8 | 24.5 | -152.7 | -116.2 | 0 | 0 | 0 | 109.8 | ||||
| 528 | Q | 29.3 | Very low | 29.6 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 61% | 0.607 | 73% | 0.732 | S | S | * | * | trans | -4.5 | 161 | 145.3 | -77.2 | 158.8 | -108.4 | 0 | 0 | 121.2 | ||||
| 529 | D | 29.2 | Very low | 30.1 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | cis | -157.4 | 162.6 | 15.1 | -126.3 | -34.3 | 0 | 0 | 0 | 116.1 | ||||
| 530 | A | 30 | Very low | 30.3 | Very low | 73 Ų | 73 | 136.1 Ų | 136.1 | 60% | 0.603 | 74% | 0.737 | S | S | * | * | trans | 48.5 | 143.9 | 143.2 | 0 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 531 | L | 32.6 | Very low | 30.5 | Very low | 158 Ų | 158 | 137.5 Ų | 137.5 | 83% | 0.827 | 73% | 0.733 | S | S | * | * | trans | 62.2 | 167.9 | 160.6 | -86.9 | 75.5 | 0 | 0 | 0 | 119 | ||||
| 532 | Q | 31.1 | Very low | 31.2 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 67% | 0.673 | 74% | 0.739 | S | S | * | * | cis | 179 | 145.5 | -50 | 167.4 | 165.8 | -16.3 | 0 | 0 | 108.6 | ||||
| 533 | D | 28.9 | Very low | 32.5 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 63% | 0.631 | 74% | 0.736 | S | S | * | * | trans | 68.7 | 127.6 | 162.2 | -69.9 | -21.6 | 0 | 0 | 0 | 122.9 | ||||
| 534 | F | 31.9 | Very low | 33.4 | Very low | 177 Ų | 177 | 138.9 Ų | 138.9 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | trans | 60.2 | 112 | 136 | -82.9 | -94.2 | 0 | 0 | 0 | 124.1 | ||||
| 535 | D | 29.3 | Very low | 34.5 | Very low | 141 Ų | 141 | 134.7 Ų | 134.7 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | 85.7 | 163 | 123.2 | -114 | -15.3 | 0 | 0 | 0 | 123.3 | |||||
| 536 | S | 30.4 | Very low | 35.4 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | trans | 77.1 | 100.9 | 164.4 | -63.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 537 | T | 35.3 | Very low | 36.1 | Very low | 142 Ų | 142 | 137.9 Ų | 137.9 | 87% | 0.871 | 77% | 0.773 | S | S | * | * | trans | -26.1 | 134.5 | 150.8 | 50.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 538 | S | 36 | Very low | 36.6 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | trans | -148.4 | 168.6 | 146 | 59.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 539 | A | 36.1 | Very low | 36.9 | Very low | 83 Ų | 83 | 137.9 Ų | 137.9 | 69% | 0.686 | 79% | 0.787 | S | S | * | * | trans | -123.9 | 167.6 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 540 | H | 32.2 | Very low | 37.4 | Very low | 180 Ų | 180 | 138.3 Ų | 138.3 | 83% | 0.833 | 79% | 0.792 | S | S | * | * | trans | 72.3 | 157.6 | -174.9 | -55.6 | -46.8 | 0 | 0 | 0 | 114.3 | ||||
| 541 | Q | 33.5 | Very low | 37.8 | Very low | 176 Ų | 176 | 142.2 Ų | 142.2 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | cis | -142.5 | 164 | 8.8 | -149.6 | 163 | 17.3 | 0 | 0 | 111.8 | ||||
| 542 | I | 42.5 | Very low | 38.1 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 125.3 | 178.8 | -60.3 | 171.1 | 0 | 0 | 0 | 110.1 | ||
| 543 | P | 54.3 | Low | 38.6 | Very low | 115 Ų | 115 | 141 Ų | 141 | 75% | 0.747 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 130.8 | 165.8 | -0.4 | 19.5 | 0 | 0 | 0 | 110.8 | ||
| 544 | I | 46.3 | Very low | 39.3 | Very low | 155 Ų | 155 | 142.6 Ų | 142.6 | 80% | 0.795 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 123.7 | 170.3 | -61.7 | 170.4 | 0 | 0 | 0 | 108.4 | ||
| 545 | P | 50.3 | Low | 39.9 | Very low | 123 Ų | 123 | 140 Ų | 140 | 80% | 0.799 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 135.4 | 167.8 | -17.9 | 32.5 | 0 | 0 | 0 | 111.2 | ||
| 546 | S | 47.2 | Very low | 40.7 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 74% | 0.741 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 142.1 | -176.6 | 55.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 547 | V | 44.9 | Very low | 41.7 | Very low | 220 Ų | 220 | 143.5 Ų | 143.5 | 100% | 1.333 | 85% | 0.845 | S | S | * | * | trans | 43.5 | 0 | 156.5 | -168.7 | 0 | 0 | 0 | 0 | 116.3 |
Retrieved 547 of 547 residues in 327.2 ms
(Link to these results)