| 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 | 33.6 | Very low | 35.7 | Very low | 246 Ų | 246 | 128.2 Ų | 128.2 | 100% | 1.212 | 86% | 0.862 | S | S | * | * | 0 | 140.3 | 0 | -92.1 | 172.5 | 170.7 | 0 | 0 | 108.2 | |||||
| 2 | Y | 32.6 | Very low | 35.6 | Very low | 241 Ų | 241 | 123.8 Ų | 123.8 | 95% | 0.945 | 85% | 0.854 | S | S | * | * | trans | -61.2 | 154 | -160.4 | -96.9 | -104.1 | 0 | 0 | 0 | 116.1 | ||||
| 3 | A | 34.9 | Very low | 35.4 | Very low | 92 Ų | 92 | 134.2 Ų | 134.2 | 76% | 0.76 | 86% | 0.864 | S | S | * | * | trans | -69.3 | 173.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 4 | P | 46.2 | Very low | 35.7 | Very low | 126 Ų | 126 | 141.9 Ų | 141.9 | 82% | 0.818 | 87% | 0.867 | S | S | * | * | trans | -104.7 | 177.6 | -141.9 | 41.2 | -36.8 | 0 | 0 | 0 | 114.8 | ||||
| 5 | G | 31.1 | Very low | 35.9 | Very low | 79 Ų | 79 | 148.9 Ų | 148.9 | 81% | 0.814 | 87% | 0.872 | S | S | * | * | trans | -64 | 156.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 6 | G | 35.2 | Very low | 36.3 | Very low | 78 Ų | 78 | 154.9 Ų | 154.9 | 80% | 0.804 | 88% | 0.875 | S | S | * | * | trans | -133.3 | 106.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 7 | A | 37.5 | Very low | 36.2 | Very low | 101 Ų | 101 | 152.3 Ų | 152.3 | 84% | 0.835 | 87% | 0.869 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 128.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L9 | A7-L9 PolarHBondContact O-N 3.23Š|
| 8 | G | 34.3 | Very low | 36.7 | Very low | 79 Ų | 79 | 151.3 Ų | 151.3 | 81% | 0.814 | 87% | 0.869 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 119.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 9 | L | 35 | Very low | 36.7 | Very low | 170 Ų | 170 | 146.8 Ų | 146.8 | 89% | 0.89 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 129 | 167.1 | -86.9 | 158.2 | 0 | 0 | 0 | 109.3 | A7 | A7-L9 PolarHBondContact O-N 3.23Š|
| 10 | P | 39.5 | Very low | 36.8 | Very low | 120 Ų | 120 | 143.4 Ų | 143.4 | 78% | 0.779 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 146.5 | -169.5 | 34.9 | -33 | 0 | 0 | 0 | 113.4 | ||
| 11 | G | 33.1 | Very low | 36.9 | Very low | 78 Ų | 78 | 142 Ų | 142 | 80% | 0.804 | 85% | 0.853 | S | S | * | * | 79.7 | 47.3 | 129.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | R13 | G11-R13 PolarHBondContact O-N 3.4Å; G11-R13 VanDerWaalsContact O-N 3.11Å | |||
| 12 | G | 33.7 | Very low | 37.5 | Very low | 75 Ų | 75 | 134.4 Ų | 134.4 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | trans | -75.4 | 88.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112 | R14 | G12-R14 VanDerWaalsContact C-N 3.31Å; G12-R14 PolarHBondContact O-N 3.38Å | ||
| 13 | R | 34.2 | Very low | 37.9 | Very low | 260 Ų | 260 | 130.5 Ų | 130.5 | 98% | 0.981 | 83% | 0.825 | S | S | * | * | trans | -61.3 | 85.5 | 168.3 | -112.5 | -179.8 | 178.2 | 179.8 | 0.1 | 109.6 | G11 | G11-R13 PolarHBondContact O-N 3.4Å; G11-R13 VanDerWaalsContact O-N 3.11Å | ||
| 14 | R | 39.2 | Very low | 38.1 | Very low | 242 Ų | 242 | 131 Ų | 131 | 91% | 0.913 | 82% | 0.82 | S | S | * | * | trans | -88.2 | 123.2 | 172.8 | -90.2 | -173.7 | 176.5 | -169.6 | 0.3 | 110.9 | G12 R16 | G12-R14 VanDerWaalsContact C-N 3.31Å; G12-R14 PolarHBondContact O-N 3.38Å; R14-R16 PolarHBondContact O-N 2.85Å | ||
| 15 | R | 38.4 | Very low | 38 | Very low | 247 Ų | 247 | 134.9 Ų | 134.9 | 93% | 0.932 | 82% | 0.824 | S | S | * | * | trans | -53.3 | 123.4 | 178.9 | -133.9 | 171.5 | -179.9 | -169 | -0.6 | 110.1 | S17 | R15-S17 PolarHBondContact O-N 3.11Å; R15-S17 VanDerWaalsContact O-N 3.15Å | ||
| 16 | R | 42 | Very low | 38.6 | Very low | 245 Ų | 245 | 138.8 Ų | 138.8 | 93% | 0.925 | 82% | 0.821 | S | S | * | * | trans | -50.7 | 114.3 | 170 | -90.7 | 176.5 | 167.9 | 167.6 | -5.3 | 109.6 | R14 | R14-R16 PolarHBondContact O-N 2.85Š| ||
| 17 | S | 35.5 | Very low | 39.3 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | trans | -86.6 | 119.8 | 164.1 | -160.6 | 0 | 0 | 0 | 0 | 107.7 | R15 G19 | R15-S17 PolarHBondContact O-N 3.11Å; R15-S17 VanDerWaalsContact O-N 3.15Å; S17-G19 PolarHBondContact O-N 3.34Å; S17-G19 VanDerWaalsContact O-N 3.13Å | ||
| 18 | P | 45.1 | Very low | 40 | Very low | 135 Ų | 135 | 140.6 Ų | 140.6 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | -82.6 | 91 | -179 | 31.6 | -28.3 | 0 | 0 | 0 | 108.6 | ||||
| 19 | G | 36.2 | Very low | 41.2 | Very low | 65 Ų | 65 | 145.4 Ų | 145.4 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | trans | -139.9 | 8.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | S17 S21 | S17-G19 PolarHBondContact O-N 3.34Å; S17-G19 VanDerWaalsContact O-N 3.13Å; G19-S21 PolarHBondContact O-N 3.48Å; G19-S21 VanDerWaalsContact O-N 3.11Å | ||
| 20 | G | 39 | Very low | 42.6 | Very low | 78 Ų | 78 | 137.5 Ų | 137.5 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | -75.9 | 96.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | A22 | G20-A22 PolarHBondContact O-N 3.15Š| ||
| 21 | S | 39.7 | Very low | 44 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | trans | -64.7 | 72.2 | 166.4 | 51.9 | 0 | 0 | 0 | 0 | 109.2 | G19 L23 | G19-S21 PolarHBondContact O-N 3.48Å; G19-S21 VanDerWaalsContact O-N 3.11Å; S21-L23 VanDerWaalsContact C-N 3.35Å; S21-L23 PolarHBondContact O-N 3.44Å | ||
| 22 | A | 46 | Very low | 46.2 | Very low | 87 Ų | 87 | 137.2 Ų | 137.2 | 72% | 0.719 | 73% | 0.734 | S | S | * | * | trans | -57.9 | 107.1 | 160 | 0 | 0 | 0 | 0 | 0 | 105.3 | G20 | G20-A22 PolarHBondContact O-N 3.15Š| ||
| 23 | L | 40.5 | Very low | 48.4 | Very low | 160 Ų | 160 | 133.6 Ų | 133.6 | 84% | 0.838 | 70% | 0.697 | S | S | * | * | trans | -38.4 | 119 | 165.3 | -90.9 | 151.5 | 0 | 0 | 0 | 106.2 | S21 K25 | S21-L23 VanDerWaalsContact C-N 3.35Å; S21-L23 PolarHBondContact O-N 3.44Å; L23-K25 PolarHBondContact O-N 3.13Å | ||
| 24 | P | 39.8 | Very low | 50.8 | Low | 102 Ų | 102 | 121.7 Ų | 121.7 | 66% | 0.662 | 65% | 0.654 | S | S | * | * | trans | -56.8 | 114.2 | -176.1 | 21.9 | -30.7 | 0 | 0 | 0 | 105.2 | Q26 | P24-Q26 PolarHBondContact O-N 3.12Š| ||
| 25 | K | 42.6 | Very low | 53.2 | Low | 207 Ų | 207 | 115.8 Ų | 115.8 | 90% | 0.9 | 64% | 0.64 | S | S | * | * | trans | -59 | 82.4 | 177.8 | -166.3 | 168 | -174 | 165.4 | 0 | 105 | L23 P27 | L23-K25 PolarHBondContact O-N 3.13Å; K25-P27 VanDerWaalsContact O-CD 3.28Å; K25-P27 WeakPolarHBondContact O-CD 3.12Å | ||
| 26 | Q | 44.3 | Very low | 55.7 | Low | 161 Ų | 161 | 105 Ų | 105 | 75% | 0.752 | 60% | 0.602 | S | S | * | * | trans | -60.4 | 116.5 | -173.1 | -83.3 | -162.6 | -10.7 | 0 | 0 | 103.2 | P24 E28 | P24-Q26 PolarHBondContact O-N 3.12Å; Q26-E28 PolarHBondContact O-N 3.11Å | ||
| 27 | P | 49.2 | Very low | 58 | Low | 92 Ų | 92 | 93.4 Ų | 93.4 | 60% | 0.597 | 56% | 0.558 | S | S | * | * | trans | -57.5 | 116.3 | 178.6 | 23.6 | -30.3 | 0 | 0 | 0 | 104.4 | K25 R29 | K25-P27 VanDerWaalsContact O-CD 3.28Å; K25-P27 WeakPolarHBondContact O-CD 3.12Å; P27-R29 WeakPolarHBondContact O-CG 3.25Å; P27-R29 PolarHBondContact O-N 2.82Å | ||
| 28 | E | 53.7 | Low | 60.8 | Low | 126 Ų | 126 | 89.7 Ų | 89.7 | 59% | 0.589 | 53% | 0.534 | S | S | * | . | trans | -55.7 | 75.5 | -175.8 | -66.5 | 177.5 | 144.6 | 0 | 0 | 109.7 | Q26 S30 R127 | Q26-E28 PolarHBondContact O-N 3.11Å; E28-S30 PolarHBondContact O-N 3.04Å; E28-R127 IonicContact OE2-NH2 2.64Å | ||
| 29 | R | 58.4 | Low | 63.1 | Low | 179 Ų | 179 | 88.4 Ų | 88.4 | 68% | 0.675 | 52% | 0.519 | S | S | * | . | trans | -83.3 | 114.5 | 179.9 | -78.9 | -178.1 | 179.1 | 176.6 | 1.6 | 105.8 | P27 L31 | P27-R29 WeakPolarHBondContact O-CG 3.25Å; P27-R29 PolarHBondContact O-N 2.82Å; R29-L31 PolarHBondContact O-N 3.46Å | ||
| 30 | S | 64.5 | Low | 66 | Low | 4 Ų | 4 | 85.3 Ų | 85.3 | 3% | 0.028 | 49% | 0.487 | C | S | . | . | trans | -75.3 | 50.8 | -172.6 | 62.5 | 0 | 0 | 0 | 0 | 113.3 | E28 A32 S33 A34 D114 R197 | E28-S30 PolarHBondContact O-N 3.04Å; S30-A32 PolarHBondContact O-N 2.78Å; S30-S33 VanDerWaalsContact CB-OG 3.31Å; S30-S33 WeakPolarHBondContact CB-OG 3.35Å; S30-S33 PolarHBondContact O-N 3.15Å; S30-S33 PolarHBondContact O-OG 2.84Å; S30-S33 VanDerWaalsContact O-OG 3.1Å; S30-S33 PolarHBondContact OG-OG 3.09Å; S30-A34 WeakPolarHBondContact O-CB 3.47Å; S30-A34 PolarHBondContact O-N 2.95Å; S30-D114 WeakPolarHBondContact OG-CA 3.49Å; S30-D114 WeakPolarHBondContact OG-CB 3.41Å; S30-D114 PolarHBondContact OG-O 3.04Å; S30-R197 VanDerWaalsContact C-NH2 3.34Å; S30-R197 VanDerWaalsContact CA-NH2 3.26Å; S30-R197 PolarHBondContact O-NH2 2.87Å | ||
| 31 | L | 69 | Low | 68.7 | Low | 127 Ų | 127 | 82.6 Ų | 82.6 | 67% | 0.665 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -51.7 | -34.9 | -174 | -67.2 | 175.9 | 0 | 0 | 0 | 112.9 | R29 S33 L35 | R29-L31 PolarHBondContact O-N 3.46Å; L31-S33 PolarHBondContact O-N 2.89Å; L31-L35 WeakPolarHBondContact O-CG 3.4Å; L31-L35 PolarHBondContact O-N 2.84Å |
| 32 | A | 79 | Confident | 71.4 | Confident | 65 Ų | 65 | 80.9 Ų | 80.9 | 54% | 0.537 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.1 | -28.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | S30 P36 | S30-A32 PolarHBondContact O-N 2.78Å; A32-P36 WeakPolarHBondContact O-CD 3.47Å |
| 33 | S | 81 | Confident | 73.8 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -97.6 | -31 | 175.7 | 55.6 | 0 | 0 | 0 | 0 | 111.9 | S30 L31 L35 P36 G37 D114 N194 R197 | S30-S33 VanDerWaalsContact CB-OG 3.31Å; S30-S33 WeakPolarHBondContact CB-OG 3.35Å; S30-S33 PolarHBondContact O-N 3.15Å; S30-S33 PolarHBondContact O-OG 2.84Å; S30-S33 VanDerWaalsContact O-OG 3.1Å; S30-S33 PolarHBondContact OG-OG 3.09Å; L31-S33 PolarHBondContact O-N 2.89Å; S33-L35 VanDerWaalsContact C-N 3.29Å; S33-L35 PolarHBondContact O-N 3.41Å; S33-P36 WeakPolarHBondContact O-CD 3.36Å; S33-G37 PolarHBondContact O-N 3.15Å; S33-D114 PolarHBondContact OG-OD2 3.09Å; S33-N194 WeakPolarHBondContact CB-OD1 3.39Å; S33-N194 PolarHBondContact OG-OD1 3.36Å; S33-R197 PolarHBondContact OG-NH1 2.88Å; S33-R197 PolarHBondContact OG-NH2 2.8Å; S33-R197 VanDerWaalsContact OG-NH2 3.11Å |
| 34 | A | 84.5 | Confident | 76.5 | Confident | 9 Ų | 9 | 70 Ų | 70 | 7% | 0.074 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.8 | -38.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S30 G37 A38 F111 V115 | S30-A34 WeakPolarHBondContact O-CB 3.47Å; S30-A34 PolarHBondContact O-N 2.95Å; A34-G37 PolarHBondContact O-N 2.71Å; A34-A38 VanDerWaalsContact O-CB 3.31Å; A34-A38 WeakPolarHBondContact O-CB 3.28Å; A34-A38 PolarHBondContact O-N 3.23Å; A34-F111 HydrophobicContact CB-CD2 4.26Å; A34-F111 HydrophobicContact CB-CE2 3.91Å; A34-F111 WeakPolarHBondContact O-CD2 3.33Å; A34-F111 WeakPolarHBondContact O-CE2 3.43Å; A34-V115 HydrophobicContact CB-CG2 4.4Å |
| 35 | L | 89.3 | Confident | 79.2 | Confident | 119 Ų | 119 | 67.9 Ų | 67.9 | 62% | 0.623 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.1 | -56.1 | 178.6 | -76.9 | 174.6 | 0 | 0 | 0 | 112.8 | L31 S33 G37 A38 L39 | L31-L35 WeakPolarHBondContact O-CG 3.4Å; L31-L35 PolarHBondContact O-N 2.84Å; S33-L35 VanDerWaalsContact C-N 3.29Å; S33-L35 PolarHBondContact O-N 3.41Å; L35-G37 VanDerWaalsContact C-N 3.28Å; L35-G37 PolarHBondContact O-N 3.4Å; L35-A38 PolarHBondContact O-N 3.38Å; L35-L39 WeakPolarHBondContact O-CG 3.42Å; L35-L39 PolarHBondContact O-N 2.8Å |
| 36 | P | 89.5 | Confident | 81.7 | Confident | 21 Ų | 21 | 60.9 Ų | 60.9 | 14% | 0.136 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.7 | -36.1 | 173.3 | -23 | 31.2 | 0 | 0 | 0 | 113.4 | A32 S33 L39 S40 A186 L189 A190 | A32-P36 WeakPolarHBondContact O-CD 3.47Å; S33-P36 WeakPolarHBondContact O-CD 3.36Å; P36-L39 PolarHBondContact O-N 3.48Å; P36-S40 PolarHBondContact O-N 2.92Å; P36-A186 VanDerWaalsContact CB-O 3.26Å; P36-A186 WeakPolarHBondContact CB-O 3.5Å; P36-L189 HydrophobicContact CB-CB 4.18Å; P36-L189 HydrophobicContact CG-CB 4.33Å; P36-A190 HydrophobicContact CB-CB 4.05Å |
| 37 | G | 91.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S33 A34 L35 L39 S40 I41 | S33-G37 PolarHBondContact O-N 3.15Å; A34-G37 PolarHBondContact O-N 2.71Å; L35-G37 VanDerWaalsContact C-N 3.28Å; L35-G37 PolarHBondContact O-N 3.4Å; G37-L39 PolarHBondContact O-N 3.29Å; G37-S40 WeakPolarHBondContact O-CB 3.28Å; G37-S40 PolarHBondContact O-N 2.89Å; G37-I41 WeakPolarHBondContact O-CG1 3.38Å; G37-I41 PolarHBondContact O-N 2.76Å |
| 38 | A | 93.3 | Very high | 86.3 | Confident | 33 Ų | 33 | 49.6 Ų | 49.6 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A34 L35 S40 I41 T42 F111 | A34-A38 VanDerWaalsContact O-CB 3.31Å; A34-A38 WeakPolarHBondContact O-CB 3.28Å; A34-A38 PolarHBondContact O-N 3.23Å; L35-A38 PolarHBondContact O-N 3.38Å; A38-S40 VanDerWaalsContact C-N 3.34Å; A38-S40 PolarHBondContact O-N 2.84Å; A38-I41 PolarHBondContact O-N 2.87Å; A38-T42 WeakPolarHBondContact O-CG2 3.18Å; A38-T42 PolarHBondContact O-N 2.72Å; A38-T42 PolarHBondContact O-OG1 2.99Å; A38-F111 HydrophobicContact CB-CD2 4.26Å; A38-F111 HydrophobicContact CB-CE2 3.87Å |
| 39 | L | 94.9 | Very high | 88.1 | Confident | 108 Ų | 108 | 47.3 Ų | 47.3 | 57% | 0.565 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60.2 | -43.6 | 175.8 | -71.3 | 174 | 0 | 0 | 0 | 111.6 | L35 P36 G37 I41 T42 A43 A186 | L35-L39 WeakPolarHBondContact O-CG 3.42Å; L35-L39 PolarHBondContact O-N 2.8Å; P36-L39 PolarHBondContact O-N 3.48Å; G37-L39 PolarHBondContact O-N 3.29Å; L39-I41 PolarHBondContact O-N 2.6Å; L39-T42 WeakPolarHBondContact CA-OG1 3.29Å; L39-T42 PolarHBondContact O-N 3Å; L39-T42 PolarHBondContact O-OG1 3.41Å; L39-A43 VanDerWaalsContact O-CB 3.32Å; L39-A43 WeakPolarHBondContact O-CB 3.25Å; L39-A43 PolarHBondContact O-N 2.61Å; L39-A186 HydrophobicContact CB-CB 4.42Å |
| 40 | S | 96.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.1 | -48 | 175.5 | -179.3 | 0 | 0 | 0 | 0 | 112.2 | P36 G37 A38 T42 A43 L44 A183 S187 | P36-S40 PolarHBondContact O-N 2.92Å; G37-S40 WeakPolarHBondContact O-CB 3.28Å; G37-S40 PolarHBondContact O-N 2.89Å; A38-S40 VanDerWaalsContact C-N 3.34Å; A38-S40 PolarHBondContact O-N 2.84Å; S40-T42 PolarHBondContact O-N 3.44Å; S40-A43 PolarHBondContact O-N 2.85Å; S40-L44 WeakPolarHBondContact O-CG 3.3Å; S40-L44 PolarHBondContact O-N 3.38Å; S40-A183 PolarHBondContact OG-O 3.44Å; S40-S187 WeakPolarHBondContact CB-OG 3.49Å; S40-S187 PolarHBondContact OG-OG 2.93Å |
| 41 | I | 96 | Very high | 90.6 | Very high | 20 Ų | 20 | 44.8 Ų | 44.8 | 10% | 0.103 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.1 | -49.3 | 176.8 | -63.8 | 158.1 | 0 | 0 | 0 | 110.3 | G37 A38 L39 A43 L44 C45 S107 L108 F111 | G37-I41 WeakPolarHBondContact O-CG1 3.38Å; G37-I41 PolarHBondContact O-N 2.76Å; A38-I41 PolarHBondContact O-N 2.87Å; L39-I41 PolarHBondContact O-N 2.6Å; I41-A43 VanDerWaalsContact C-N 3.3Å; I41-A43 PolarHBondContact O-N 3.44Å; I41-L44 PolarHBondContact O-N 2.64Å; I41-C45 WeakPolarHBondContact O-CB 3.37Å; I41-C45 PolarHBondContact O-N 2.8Å; I41-C45 PolarHBondContact O-SG 3.2Å; I41-S107 VanDerWaalsContact CG1-CB 3.5Å; I41-L108 HydrophobicContact CD1-CD2 3.95Å; I41-L108 HydrophobicContact CD1-CG 4.36Å; I41-L108 HydrophobicContact CG1-CD2 4.49Å; I41-L108 HydrophobicContact CG2-CD2 4.05Å; I41-L108 HydrophobicContact CG2-CG 4.32Å; I41-F111 HydrophobicContact CD1-CB 3.67Å; I41-F111 HydrophobicContact CD1-CG 4.03Å |
| 42 | T | 96.3 | Very high | 91.6 | Very high | 79 Ų | 79 | 39 Ų | 39 | 49% | 0.485 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.6 | -42.1 | -179.7 | 54.1 | 0 | 0 | 0 | 0 | 111.7 | A38 L39 S40 C45 T46 | A38-T42 WeakPolarHBondContact O-CG2 3.18Å; A38-T42 PolarHBondContact O-N 2.72Å; A38-T42 PolarHBondContact O-OG1 2.99Å; L39-T42 WeakPolarHBondContact CA-OG1 3.29Å; L39-T42 PolarHBondContact O-N 3Å; L39-T42 PolarHBondContact O-OG1 3.41Å; S40-T42 PolarHBondContact O-N 3.44Å; T42-C45 PolarHBondContact O-N 3.13Å; T42-T46 WeakPolarHBondContact O-CG2 3.25Å; T42-T46 PolarHBondContact O-N 2.89Å; T42-T46 PolarHBondContact O-OG1 2.6Å; T42-T46 VanDerWaalsContact O-OG1 3.06Å |
| 43 | A | 96.7 | Very high | 92.4 | Very high | 15 Ų | 15 | 36.1 Ų | 36.1 | 12% | 0.124 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.8 | -38.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L39 S40 I41 T46 A47 L179 A183 | L39-A43 VanDerWaalsContact O-CB 3.32Å; L39-A43 WeakPolarHBondContact O-CB 3.25Å; L39-A43 PolarHBondContact O-N 2.61Å; S40-A43 PolarHBondContact O-N 2.85Å; I41-A43 VanDerWaalsContact C-N 3.3Å; I41-A43 PolarHBondContact O-N 3.44Å; A43-T46 WeakPolarHBondContact CA-OG1 3.3Å; A43-T46 PolarHBondContact O-OG1 3.36Å; A43-A47 VanDerWaalsContact O-CB 3.28Å; A43-A47 WeakPolarHBondContact O-CB 3.47Å; A43-A47 PolarHBondContact O-N 2.85Å; A43-L179 HydrophobicContact CB-CD2 4.49Å; A43-A183 HydrophobicContact CB-CB 3.87Å |
| 44 | L | 96.7 | Very high | 93 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68 | -41.6 | 173.9 | -71 | 172.6 | 0 | 0 | 0 | 111.8 | S40 I41 A47 L48 I104 T136 V180 A183 | S40-L44 WeakPolarHBondContact O-CG 3.3Å; S40-L44 PolarHBondContact O-N 3.38Å; I41-L44 PolarHBondContact O-N 2.64Å; L44-A47 PolarHBondContact O-N 2.82Å; L44-L48 PolarHBondContact O-N 3.35Å; L44-L48 VanDerWaalsContact O-N 3.09Å; L44-I104 HydrophobicContact CB-CD1 4.18Å; L44-I104 HydrophobicContact CB-CG1 3.59Å; L44-I104 HydrophobicContact CD1-CG1 4.27Å; L44-T136 HydrophobicContact CD1-CG2 4.26Å; L44-V180 HydrophobicContact CD2-CG2 4.38Å; L44-A183 HydrophobicContact CD2-CB 3.96Å; L44-A183 HydrophobicContact CG-CB 3.77Å |
| 45 | C | 96.3 | Very high | 93.4 | Very high | 57 Ų | 57 | 38 Ų | 38 | 39% | 0.385 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 175.4 | -72 | 0 | 0 | 0 | 0 | 111.6 | I41 T42 L48 A49 | I41-C45 WeakPolarHBondContact O-CB 3.37Å; I41-C45 PolarHBondContact O-N 2.8Å; I41-C45 PolarHBondContact O-SG 3.2Å; T42-C45 PolarHBondContact O-N 3.13Å; C45-L48 PolarHBondContact O-N 3.01Å; C45-A49 PolarHBondContact O-N 3.42Å; C45-A49 VanDerWaalsContact O-N 3.1Å |
| 46 | T | 95.8 | Very high | 93.5 | Very high | 61 Ų | 61 | 32.6 Ų | 32.6 | 37% | 0.374 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66.6 | -38.2 | 176.7 | 52.8 | 0 | 0 | 0 | 0 | 111.6 | T42 A43 L48 A49 E50 L179 | T42-T46 WeakPolarHBondContact O-CG2 3.25Å; T42-T46 PolarHBondContact O-N 2.89Å; T42-T46 PolarHBondContact O-OG1 2.6Å; T42-T46 VanDerWaalsContact O-OG1 3.06Å; A43-T46 WeakPolarHBondContact CA-OG1 3.3Å; A43-T46 PolarHBondContact O-OG1 3.36Å; T46-L48 VanDerWaalsContact C-N 3.27Å; T46-L48 PolarHBondContact O-N 3.45Å; T46-A49 PolarHBondContact O-N 3.01Å; T46-A49 VanDerWaalsContact O-N 3.17Å; T46-E50 WeakPolarHBondContact O-CB 3.46Å; T46-E50 WeakPolarHBondContact O-CG 3.23Å; T46-E50 PolarHBondContact O-N 2.88Å; T46-L179 WeakPolarHBondContact OG1-CD1 3.35Å |
| 47 | A | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.7 | -33.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A43 L44 W53 S176 L179 V180 | A43-A47 VanDerWaalsContact O-CB 3.28Å; A43-A47 WeakPolarHBondContact O-CB 3.47Å; A43-A47 PolarHBondContact O-N 2.85Å; L44-A47 PolarHBondContact O-N 2.82Å; A47-W53 HydrophobicContact CB-CZ2 4.19Å; A47-W53 WeakPolarHBondContact O-CZ2 3.35Å; A47-W53 PolarHBondContact O-NE1 3.19Å; A47-S176 PolarHBondContact O-OG 3.14Å; A47-L179 HydrophobicContact CB-CB 3.9Å; A47-L179 HydrophobicContact CB-CD1 4.37Å; A47-V180 HydrophobicContact CB-CG2 3.82Å |
| 48 | L | 93.7 | Very high | 93.2 | Very high | 16 Ų | 16 | 36.6 Ų | 36.6 | 8% | 0.084 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -75.5 | -32.1 | 174.6 | -79.4 | -178.9 | 0 | 0 | 0 | 113.5 | L44 C45 T46 V68 C100 F101 I104 | L44-L48 PolarHBondContact O-N 3.35Å; L44-L48 VanDerWaalsContact O-N 3.09Å; C45-L48 PolarHBondContact O-N 3.01Å; T46-L48 VanDerWaalsContact C-N 3.27Å; T46-L48 PolarHBondContact O-N 3.45Å; L48-V68 HydrophobicContact CD2-CG1 3.95Å; L48-C100 HydrophobicContact CD1-CB 3.95Å; L48-C100 HydrophobicContact CD2-CB 3.55Å; L48-C100 HydrophobicContact CG-CB 3.76Å; L48-F101 HydrophobicContact CD1-CD1 3.67Å; L48-F101 HydrophobicContact CD1-CD2 4.39Å; L48-F101 HydrophobicContact CD1-CE1 3.58Å; L48-F101 HydrophobicContact CD1-CE2 4.31Å; L48-F101 HydrophobicContact CD1-CG 4.08Å; L48-F101 HydrophobicContact CD1-CZ 3.92Å; L48-I104 HydrophobicContact CD1-CD1 3.43Å; L48-I104 VanDerWaalsContact CD1-CD1 3.43Å; L48-I104 HydrophobicContact CG-CD1 4.44Å |
| 49 | A | 92.7 | Very high | 92.6 | Very high | 78 Ų | 78 | 35.5 Ų | 35.5 | 65% | 0.645 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -76.7 | -33.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | C45 T46 | C45-A49 PolarHBondContact O-N 3.42Å; C45-A49 VanDerWaalsContact O-N 3.1Å; T46-A49 PolarHBondContact O-N 3.01Å; T46-A49 VanDerWaalsContact O-N 3.17Å |
| 50 | E | 90.2 | Very high | 92 | Very high | 92 Ų | 92 | 32.8 Ų | 32.8 | 43% | 0.43 | 21% | 0.208 | S | C | . | . | trans | -76.2 | 130 | -178.6 | -76.1 | -67.3 | 163.3 | 0 | 0 | 112 | T46 A52 W53 S176 | T46-E50 WeakPolarHBondContact O-CB 3.46Å; T46-E50 WeakPolarHBondContact O-CG 3.23Å; T46-E50 PolarHBondContact O-N 2.88Å; E50-A52 VanDerWaalsContact C-N 3.27Å; E50-A52 PolarHBondContact O-N 3.05Å; E50-W53 PolarHBondContact O-NE1 3.36Å; E50-S176 VanDerWaalsContact CB-OG 3.3Å; E50-S176 WeakPolarHBondContact CB-OG 3.49Å; E50-S176 PolarHBondContact O-OG 3.13Å | ||
| 51 | P | 84.3 | Confident | 91.5 | Very high | 38 Ų | 38 | 33.5 Ų | 33.5 | 25% | 0.247 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -72.7 | -21.9 | 175.8 | 30.7 | -35.4 | 0 | 0 | 0 | 112.9 | W53 L66 G67 S69 | P51-W53 PolarHBondContact O-N 2.99Å; P51-L66 CarbonylContact O-C 3.51Å; P51-L66 VanDerWaalsContact O-C 3.26Å; P51-G67 VanDerWaalsContact O-CA 3.31Å; P51-G67 WeakPolarHBondContact O-CA 3.23Å; P51-G67 PolarHBondContact O-N 2.89Å; P51-S69 WeakPolarHBondContact CA-OG 3.42Å; P51-S69 WeakPolarHBondContact CB-OG 3.17Å |
| 52 | A | 90.8 | Very high | 90.9 | Very high | 6 Ų | 6 | 37.2 Ų | 37.2 | 5% | 0.05 | 24% | 0.241 | C | C | . | . | trans | -82.6 | 88.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111 | E50 E65 A174 S176 | E50-A52 VanDerWaalsContact C-N 3.27Å; E50-A52 PolarHBondContact O-N 3.05Å; A52-E65 HydrophobicContact CB-CG 4.26Å; A52-A174 VanDerWaalsContact C-CB 3.42Å; A52-A174 HydrophobicContact CB-CB 3.85Å; A52-A174 WeakPolarHBondContact O-CB 3.39Å; A52-S176 VanDerWaalsContact O-CB 3.25Å; A52-S176 WeakPolarHBondContact O-CB 3.38Å; A52-S176 PolarHBondContact O-N 3.06Å; A52-S176 PolarHBondContact O-OG 3.07Å | ||
| 53 | W | 94.7 | Very high | 90.4 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -100.5 | -42 | 168.4 | -76.1 | 65.6 | 0 | 0 | 0 | 111.7 | A47 E50 P51 L66 V68 I96 V143 A174 S176 V180 | A47-W53 HydrophobicContact CB-CZ2 4.19Å; A47-W53 WeakPolarHBondContact O-CZ2 3.35Å; A47-W53 PolarHBondContact O-NE1 3.19Å; E50-W53 PolarHBondContact O-NE1 3.36Å; P51-W53 PolarHBondContact O-N 2.99Å; W53-L66 PolarHBondContact N-O 2.96Å; W53-V68 HydrophobicContact CD2-CG2 3.9Å; W53-V68 VanDerWaalsContact CE2-CG2 3.49Å; W53-V68 HydrophobicContact CE3-CG2 4.46Å; W53-V68 HydrophobicContact CG-CG2 4.35Å; W53-V68 HydrophobicContact CH2-CG2 4.3Å; W53-V68 HydrophobicContact CZ2-CB 4.42Å; W53-V68 HydrophobicContact CZ2-CG2 3.72Å; W53-I96 HydrophobicContact CE3-CG2 4.26Å; W53-I96 HydrophobicContact CH2-CG2 3.61Å; W53-I96 HydrophobicContact CZ2-CG2 4.38Å; W53-I96 HydrophobicContact CZ3-CG2 3.55Å; W53-V143 HydrophobicContact CH2-CG1 3.97Å; W53-V143 HydrophobicContact CZ3-CG1 3.79Å; W53-A174 WeakPolarHBondContact O-CB 3.4Å; W53-A174 PolarHBondContact O-N 3.39Å; W53-S176 VanDerWaalsContact CD1-CB 3.48Å; W53-S176 VanDerWaalsContact CE2-CB 3.45Å; W53-S176 VanDerWaalsContact NE1-CB 3.32Å; W53-S176 PolarHBondContact NE1-OG 3.49Å; W53-V180 HydrophobicContact CH2-CG2 3.71Å; W53-V180 HydrophobicContact CZ3-CG2 4.19Å |
| 54 | L | 94.2 | Very high | 89.9 | Confident | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 133.1 | -178.8 | -60.9 | 172.3 | 0 | 0 | 0 | 109 | L66 A150 I154 V171 F173 | L54-L66 PolarHBondContact N-O 3.47Å; L54-L66 PolarHBondContact O-N 3.29Å; L54-A150 HydrophobicContact CD1-CB 4.25Å; L54-I154 HydrophobicContact CD1-CD1 3.47Å; L54-I154 VanDerWaalsContact CD1-CD1 3.47Å; L54-V171 HydrophobicContact CB-CG1 4.16Å; L54-V171 HydrophobicContact CD2-CG1 4.21Å; L54-F173 HydrophobicContact CD2-CD1 3.61Å; L54-F173 HydrophobicContact CD2-CE1 3.75Å |
| 55 | H | 93.6 | Very high | 89.7 | Confident | 46 Ų | 46 | 46.9 Ų | 46.9 | 21% | 0.213 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 123.8 | 169.8 | -78.4 | -76.6 | 0 | 0 | 0 | 109.9 | Q64 E65 V171 T172 A174 | H55-Q64 CarbonylContact C-O 3.56Å; H55-Q64 WeakPolarHBondContact CA-O 3.46Å; H55-E65 WeakPolarHBondContact CE1-CG 3.47Å; H55-E65 IonicContact CE1-OE1 3.31Å; H55-E65 PolarHBondContact CE1-OE1 3.4Å; H55-E65 VanDerWaalsContact CE1-OE1 3.31Å; H55-E65 WeakPolarHBondContact ND1-CG 3.39Å; H55-V171 CarbonylContact O-C 3.56Å; H55-V171 WeakPolarHBondContact O-CA 3.4Å; H55-T172 WeakPolarHBondContact CB-OG1 3.18Å; H55-T172 PolarHBondContact N-O 2.73Å; H55-T172 PolarHBondContact O-N 2.71Å; H55-A174 WeakPolarHBondContact CD2-CB 3.43Å |
| 56 | I | 91.4 | Very high | 89.5 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 125.1 | 172.2 | -57.2 | 180 | 0 | 0 | 0 | 108.8 | Q64 L66 I154 Q158 V171 | I56-Q64 PolarHBondContact N-O 2.97Å; I56-L66 HydrophobicContact CD1-CD1 3.3Å; I56-L66 HydrophobicContact CD1-CG 4.08Å; I56-L66 HydrophobicContact CG1-CD1 4.1Å; I56-I154 HydrophobicContact CD1-CG2 3.52Å; I56-I154 HydrophobicContact CG1-CG2 3.93Å; I56-Q158 HydrophobicContact CG2-CG 4.33Å; I56-V171 HydrophobicContact CG1-CG2 4.43Å |
| 57 | H | 89.2 | Confident | 89.3 | Confident | 60 Ų | 60 | 41.2 Ų | 41.2 | 28% | 0.278 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 124.6 | 172.4 | -62.5 | -84.3 | 0 | 0 | 0 | 110 | V169 Y170 T172 | H57-V169 WeakPolarHBondContact O-CA 3.29Å; H57-Y170 HydrophobicContact CB-CD1 4.04Å; H57-Y170 HydrophobicContact CB-CD2 4.03Å; H57-Y170 HydrophobicContact CB-CE1 3.64Å; H57-Y170 HydrophobicContact CB-CE2 3.64Å; H57-Y170 HydrophobicContact CB-CG 4.21Å; H57-Y170 VanDerWaalsContact CB-CZ 3.43Å; H57-Y170 AromaticContact CD2-CD2 3.79Å; H57-Y170 AromaticContact CD2-CE2 3.3Å; H57-Y170 WeakPolarHBondContact CD2-CE2 3.22Å; H57-Y170 AromaticContact CD2-CZ 3.9Å; H57-Y170 AromaticContact CG-CE2 3.48Å; H57-Y170 VanDerWaalsContact CG-CE2 3.48Å; H57-Y170 AromaticContact CG-CZ 3.57Å; H57-Y170 PolarHBondContact N-O 3.41Å; H57-Y170 PolarHBondContact O-N 3.13Å; H57-T172 PolarHBondContact NE2-OG1 3.23Å; H57-T172 VanDerWaalsContact NE2-OG1 3.17Å |
| 58 | G | 85.1 | Confident | 89.1 | Confident | 45 Ų | 45 | 41.2 Ų | 41.2 | 46% | 0.464 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 77.1 | -158.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 59 | G | 80.5 | Confident | 88.9 | Confident | 10 Ų | 10 | 42.6 Ų | 42.6 | 10% | 0.103 | 25% | 0.249 | C | C | . | . | S | Bend | trans | 79.9 | -163.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | K163 | G59-K163 WeakPolarHBondContact O-CB 3.19Š|
| 60 | T | 82.4 | Confident | 88.7 | Confident | 51 Ų | 51 | 39.6 Ų | 39.6 | 31% | 0.313 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -96.4 | -18.4 | -178.3 | 39.1 | 0 | 0 | 0 | 0 | 112.8 | S62 H161 K163 | T60-S62 PolarHBondContact O-N 3.16Å; T60-H161 WeakPolarHBondContact CG2-O 3.35Å; T60-H161 PolarHBondContact OG1-O 2.72Å; T60-H161 VanDerWaalsContact OG1-O 3.13Å; T60-K163 HydrophobicContact CG2-CB 3.85Å; T60-K163 HydrophobicContact CG2-CG 4.41Å |
| 61 | C | 86.3 | Confident | 88.8 | Confident | 15 Ų | 15 | 35.4 Ų | 35.4 | 10% | 0.101 | 20% | 0.202 | C | C | . | . | trans | -67.2 | 127.3 | -178.4 | -166.3 | 0 | 0 | 0 | 0 | 111.9 | R63 C84 | C61-R63 VanDerWaalsContact C-N 3.35Å; C61-R63 PolarHBondContact SG-O 2.97Å; C61-C84 WeakPolarHBondContact CA-SG 3.47Å; C61-C84 HydrophobicContact CB-CB 3.88Å; C61-C84 WeakPolarHBondContact CB-SG 3.31Å; C61-C84 WeakPolarHBondContact SG-CB 3.46Å; C61-C84 CovalentContact SG-SG 2.02Å; C61-C84 PolarHBondContact SG-SG 3.49Å | ||
| 62 | S | 82.9 | Confident | 88.9 | Confident | 99 Ų | 99 | 37.8 Ų | 37.8 | 69% | 0.692 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -73.6 | -29.4 | 175 | 58.2 | 0 | 0 | 0 | 0 | 112.5 | T60 | T60-S62 PolarHBondContact O-N 3.16Š|
| 63 | R | 84.6 | Confident | 88.7 | Confident | 87 Ų | 87 | 39.7 Ų | 39.7 | 33% | 0.328 | 23% | 0.232 | S | C | . | . | trans | -91.3 | 122.1 | -178.5 | -163.8 | 178.5 | 177.1 | 173.7 | -8.2 | 110.6 | C61 E65 D70 | C61-R63 VanDerWaalsContact C-N 3.35Å; C61-R63 PolarHBondContact SG-O 2.97Å; R63-E65 WeakPolarHBondContact CD-O 3.44Å; R63-E65 WeakPolarHBondContact CG-O 3.34Å; R63-E65 PolarHBondContact NE-O 3.24Å; R63-D70 IonicContact CZ-OD1 2.99Å; R63-D70 IonicContact CZ-OD2 3.9Å; R63-D70 IonicContact NH1-OD1 2.71Å; R63-D70 PolarHBondContact NH1-OD1 3.47Å; R63-D70 IonicContact NH2-OD1 2.73Å; R63-D70 PolarHBondContact NH2-OD1 3.43Å; R63-D70 IonicContact NH2-OD2 3.67Å | ||
| 64 | Q | 87.4 | Confident | 88.3 | Confident | 130 Ų | 130 | 48 Ų | 48 | 61% | 0.607 | 27% | 0.265 | S | S | * | . | trans | -85.5 | -29.4 | -177.5 | -66.9 | 176.8 | -9.8 | 0 | 0 | 112.5 | H55 I56 | H55-Q64 CarbonylContact C-O 3.56Å; H55-Q64 WeakPolarHBondContact CA-O 3.46Å; I56-Q64 PolarHBondContact N-O 2.97Å | ||
| 65 | E | 91.4 | Very high | 88.1 | Confident | 82 Ų | 82 | 48.9 Ų | 48.9 | 38% | 0.383 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 123.2 | -178.7 | -75.3 | 171.9 | -161.6 | 0 | 0 | 111.2 | A52 H55 R63 | A52-E65 HydrophobicContact CB-CG 4.26Å; H55-E65 WeakPolarHBondContact CE1-CG 3.47Å; H55-E65 IonicContact CE1-OE1 3.31Å; H55-E65 PolarHBondContact CE1-OE1 3.4Å; H55-E65 VanDerWaalsContact CE1-OE1 3.31Å; H55-E65 WeakPolarHBondContact ND1-CG 3.39Å; R63-E65 WeakPolarHBondContact CD-O 3.44Å; R63-E65 WeakPolarHBondContact CG-O 3.34Å; R63-E65 PolarHBondContact NE-O 3.24Å |
| 66 | L | 91.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 142.6 | 176.7 | -63.7 | -172.9 | 0 | 0 | 0 | 110 | P51 W53 L54 I56 D70 L79 C84 M85 I154 | P51-L66 CarbonylContact O-C 3.51Å; P51-L66 VanDerWaalsContact O-C 3.26Å; W53-L66 PolarHBondContact N-O 2.96Å; L54-L66 PolarHBondContact N-O 3.47Å; L54-L66 PolarHBondContact O-N 3.29Å; I56-L66 HydrophobicContact CD1-CD1 3.3Å; I56-L66 HydrophobicContact CD1-CG 4.08Å; I56-L66 HydrophobicContact CG1-CD1 4.1Å; L66-D70 WeakPolarHBondContact CA-OD2 3.34Å; L66-L79 HydrophobicContact CD2-CD2 3.4Å; L66-C84 HydrophobicContact CD1-CB 4.5Å; L66-M85 HydrophobicContact CB-CE 3.59Å; L66-M85 HydrophobicContact CD1-CE 3.77Å; L66-M85 HydrophobicContact CD1-CG 3.89Å; L66-M85 HydrophobicContact CD2-CE 3.97Å; L66-M85 HydrophobicContact CG-CE 3.98Å; L66-I154 HydrophobicContact CD1-CD1 4.31Å |
| 67 | G | 91.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | -173.5 | -160.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | P51 S69 D70 | P51-G67 VanDerWaalsContact O-CA 3.31Å; P51-G67 WeakPolarHBondContact O-CA 3.23Å; P51-G67 PolarHBondContact O-N 2.89Å; G67-S69 VanDerWaalsContact C-N 3.29Å; G67-S69 PolarHBondContact O-N 2.89Å; G67-D70 PolarHBondContact N-OD2 3.1Å; G67-D70 WeakPolarHBondContact O-CB 3.45Å; G67-D70 PolarHBondContact O-N 3.04Å | ||
| 68 | V | 92.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -64.2 | -35.1 | -173.3 | 169.7 | 0 | 0 | 0 | 0 | 112.1 | L48 W53 D70 V71 L72 L93 I96 A97 | L48-V68 HydrophobicContact CD2-CG1 3.95Å; W53-V68 HydrophobicContact CD2-CG2 3.9Å; W53-V68 VanDerWaalsContact CE2-CG2 3.49Å; W53-V68 HydrophobicContact CE3-CG2 4.46Å; W53-V68 HydrophobicContact CG-CG2 4.35Å; W53-V68 HydrophobicContact CH2-CG2 4.3Å; W53-V68 HydrophobicContact CZ2-CB 4.42Å; W53-V68 HydrophobicContact CZ2-CG2 3.72Å; V68-D70 PolarHBondContact O-N 3.26Å; V68-V71 WeakPolarHBondContact O-CG2 3.39Å; V68-V71 PolarHBondContact O-N 3.42Å; V68-L72 HydrophobicContact CG1-CD1 3.89Å; V68-L72 HydrophobicContact CG1-CD2 4.16Å; V68-L72 HydrophobicContact CG1-CG 3.75Å; V68-L72 WeakPolarHBondContact O-CG 3.17Å; V68-L72 PolarHBondContact O-N 2.91Å; V68-L93 HydrophobicContact CG2-CD2 4.5Å; V68-I96 HydrophobicContact CG2-CG2 3.92Å; V68-A97 HydrophobicContact CG1-CB 3.35Å |
| 69 | S | 89.5 | Confident | 87.5 | Confident | 45 Ų | 45 | 54.6 Ų | 54.6 | 32% | 0.315 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -57.3 | -30.3 | 177.4 | 59.4 | 0 | 0 | 0 | 0 | 113.2 | P51 G67 V71 | P51-S69 WeakPolarHBondContact CA-OG 3.42Å; P51-S69 WeakPolarHBondContact CB-OG 3.17Å; G67-S69 VanDerWaalsContact C-N 3.29Å; G67-S69 PolarHBondContact O-N 2.89Å; S69-V71 VanDerWaalsContact C-N 3.25Å; S69-V71 PolarHBondContact O-N 3.41Å |
| 70 | D | 89.1 | Confident | 87.8 | Confident | 15 Ų | 15 | 57.4 Ų | 57.4 | 8% | 0.08 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -73.5 | -16.6 | 178.8 | -60.8 | -49.9 | 0 | 0 | 0 | 113.4 | R63 L66 G67 V68 L79 | R63-D70 IonicContact CZ-OD1 2.99Å; R63-D70 IonicContact CZ-OD2 3.9Å; R63-D70 IonicContact NH1-OD1 2.71Å; R63-D70 PolarHBondContact NH1-OD1 3.47Å; R63-D70 IonicContact NH2-OD1 2.73Å; R63-D70 PolarHBondContact NH2-OD1 3.43Å; R63-D70 IonicContact NH2-OD2 3.67Å; L66-D70 WeakPolarHBondContact CA-OD2 3.34Å; G67-D70 PolarHBondContact N-OD2 3.1Å; G67-D70 WeakPolarHBondContact O-CB 3.45Å; G67-D70 PolarHBondContact O-N 3.04Å; V68-D70 PolarHBondContact O-N 3.26Å; D70-L79 HydrophobicContact CB-CD1 4.3Å |
| 71 | V | 91 | Very high | 88 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.018 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | -11.7 | -174.5 | -54.5 | 0 | 0 | 0 | 0 | 114.4 | V68 S69 G73 V90 L93 R94 | V68-V71 WeakPolarHBondContact O-CG2 3.39Å; V68-V71 PolarHBondContact O-N 3.42Å; S69-V71 VanDerWaalsContact C-N 3.25Å; S69-V71 PolarHBondContact O-N 3.41Å; V71-G73 PolarHBondContact O-N 2.84Å; V71-V90 HydrophobicContact CB-CG1 4.31Å; V71-V90 HydrophobicContact CG1-CB 4.33Å; V71-V90 HydrophobicContact CG1-CG1 3.89Å; V71-V90 HydrophobicContact CG1-CG2 4.36Å; V71-L93 HydrophobicContact CB-CB 4.38Å; V71-L93 HydrophobicContact CG1-CB 4.02Å; V71-L93 HydrophobicContact CG1-CD1 4.01Å; V71-L93 HydrophobicContact CG2-CB 3.55Å; V71-R94 HydrophobicContact CB-CG 3.86Å; V71-R94 HydrophobicContact CG2-CG 3.77Å; V71-R94 PolarHBondContact O-NE 2.87Å; V71-R94 VanDerWaalsContact O-NE 3.11Å |
| 72 | L | 87.9 | Confident | 88 | Confident | 89 Ų | 89 | 64.5 Ų | 64.5 | 47% | 0.466 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -64.3 | -27.5 | 174.9 | -80 | 175 | 0 | 0 | 0 | 112.5 | V68 A97 F101 | V68-L72 HydrophobicContact CG1-CD1 3.89Å; V68-L72 HydrophobicContact CG1-CD2 4.16Å; V68-L72 HydrophobicContact CG1-CG 3.75Å; V68-L72 WeakPolarHBondContact O-CG 3.17Å; V68-L72 PolarHBondContact O-N 2.91Å; L72-A97 HydrophobicContact CD2-CB 3.9Å; L72-F101 HydrophobicContact CD2-CE2 3.77Å; L72-F101 HydrophobicContact CD2-CZ 4.23Å |
| 73 | G | 86.2 | Confident | 88 | Confident | 45 Ų | 45 | 64 Ų | 64 | 46% | 0.464 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -123.6 | -139.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | V71 V75 | V71-G73 PolarHBondContact O-N 2.84Å; G73-V75 PolarHBondContact O-N 3.35Å |
| 74 | Y | 86.6 | Confident | 88.3 | Confident | 178 Ų | 178 | 60 Ų | 60 | 70% | 0.698 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 121 | 173.9 | -178.8 | -100.4 | 0 | 0 | 0 | 109.9 | H76 | Y74-H76 PolarHBondContact O-N 2.83Š|
| 75 | V | 89 | Confident | 88.4 | Confident | 22 Ų | 22 | 53.9 Ų | 53.9 | 13% | 0.133 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 117.2 | 175.1 | -175.9 | 0 | 0 | 0 | 0 | 107.7 | G73 L80 V90 | G73-V75 PolarHBondContact O-N 3.35Å; V75-L80 HydrophobicContact CG1-CD1 3.47Å; V75-L80 VanDerWaalsContact CG1-CD1 3.47Å; V75-V90 HydrophobicContact CG1-CG2 4.42Å; V75-V90 HydrophobicContact CG2-CG1 3.93Å |
| 76 | H | 86.6 | Confident | 88.4 | Confident | 108 Ų | 108 | 53 Ų | 53 | 50% | 0.5 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 129.8 | 177.8 | -82.8 | -64.1 | 0 | 0 | 0 | 110.5 | Y74 D78 L79 | Y74-H76 PolarHBondContact O-N 2.83Å; H76-D78 PolarHBondContact O-N 3.45Å; H76-D78 VanDerWaalsContact O-N 3.16Å; H76-L79 HydrophobicContact CB-CD1 4Å; H76-L79 WeakPolarHBondContact O-CB 3.21Å; H76-L79 PolarHBondContact O-N 2.95Å; H76-L79 VanDerWaalsContact O-N 3.09Å |
| 77 | P | 86.4 | Confident | 88.4 | Confident | 67 Ų | 67 | 57.2 Ų | 57.2 | 44% | 0.435 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.3 | -27.2 | -175.8 | 25.3 | -35.1 | 0 | 0 | 0 | 112.2 | L79 L80 K81 | P77-L79 VanDerWaalsContact C-N 3.28Å; P77-L79 PolarHBondContact O-N 3.11Å; P77-L80 PolarHBondContact O-N 3.29Å; P77-K81 WeakPolarHBondContact O-CB 3.13Å; P77-K81 PolarHBondContact O-N 3.42Å |
| 78 | D | 86.2 | Confident | 88.5 | Confident | 92 Ų | 92 | 61.8 Ų | 61.8 | 49% | 0.492 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.5 | -32 | 178.5 | -57.9 | -31.9 | 0 | 0 | 0 | 112 | H76 L80 K81 D82 | H76-D78 PolarHBondContact O-N 3.45Å; H76-D78 VanDerWaalsContact O-N 3.16Å; D78-L80 VanDerWaalsContact C-N 3.31Å; D78-L80 PolarHBondContact O-N 2.92Å; D78-K81 PolarHBondContact O-N 2.97Å; D78-D82 WeakPolarHBondContact O-CB 3.41Å; D78-D82 PolarHBondContact O-N 3.1Å |
| 79 | L | 86.9 | Confident | 88.6 | Confident | 8 Ų | 8 | 61.8 Ų | 61.8 | 4% | 0.042 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.5 | -36.3 | 175.9 | -75.4 | 154.6 | 0 | 0 | 0 | 112.5 | L66 D70 H76 P77 C84 M85 | L66-L79 HydrophobicContact CD2-CD2 3.4Å; D70-L79 HydrophobicContact CB-CD1 4.3Å; H76-L79 HydrophobicContact CB-CD1 4Å; H76-L79 WeakPolarHBondContact O-CB 3.21Å; H76-L79 PolarHBondContact O-N 2.95Å; H76-L79 VanDerWaalsContact O-N 3.09Å; P77-L79 VanDerWaalsContact C-N 3.28Å; P77-L79 PolarHBondContact O-N 3.11Å; L79-C84 HydrophobicContact CD2-CB 4.02Å; L79-C84 VanDerWaalsContact O-CB 3.26Å; L79-C84 WeakPolarHBondContact O-CB 3.31Å; L79-C84 PolarHBondContact O-N 3.15Å; L79-M85 PolarHBondContact O-N 2.67Å; L79-M85 VanDerWaalsContact O-N 3.11Å |
| 80 | L | 88.3 | Confident | 88.8 | Confident | 69 Ų | 69 | 60.3 Ų | 60.3 | 36% | 0.361 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -82.3 | -38.3 | 177.4 | -84.5 | 72.5 | 0 | 0 | 0 | 110.9 | V75 P77 D78 F83 P87 V90 | V75-L80 HydrophobicContact CG1-CD1 3.47Å; V75-L80 VanDerWaalsContact CG1-CD1 3.47Å; P77-L80 PolarHBondContact O-N 3.29Å; D78-L80 VanDerWaalsContact C-N 3.31Å; D78-L80 PolarHBondContact O-N 2.92Å; L80-F83 PolarHBondContact O-N 3.23Å; L80-P87 HydrophobicContact CD2-CG 4.34Å; L80-V90 HydrophobicContact CD1-CG2 4.38Å |
| 81 | K | 86.1 | Confident | 89.1 | Confident | 156 Ų | 156 | 65 Ų | 65 | 68% | 0.678 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -70.2 | -38.3 | -177.7 | -170.6 | -179.4 | 176.9 | -173.9 | 0 | 112.6 | P77 D78 F83 | P77-K81 WeakPolarHBondContact O-CB 3.13Å; P77-K81 PolarHBondContact O-N 3.42Å; D78-K81 PolarHBondContact O-N 2.97Å; K81-F83 WeakPolarHBondContact O-CD2 3.35Å; K81-F83 WeakPolarHBondContact O-CE2 3.43Å; K81-F83 PolarHBondContact O-N 3.2Å |
| 82 | D | 86 | Confident | 89.3 | Confident | 60 Ų | 60 | 65.5 Ų | 65.5 | 32% | 0.321 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 11.4 | 176.4 | -65.7 | -11.4 | 0 | 0 | 0 | 112.2 | D78 C84 | D78-D82 WeakPolarHBondContact O-CB 3.41Å; D78-D82 PolarHBondContact O-N 3.1Å; D82-C84 PolarHBondContact O-N 2.96Å |
| 83 | F | 84.3 | Confident | 89.6 | Confident | 89 Ų | 89 | 61.4 Ų | 61.4 | 39% | 0.39 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 22 | -179.5 | -53.2 | -81.8 | 0 | 0 | 0 | 114.1 | L80 K81 M85 Q157 Q158 H161 | L80-F83 PolarHBondContact O-N 3.23Å; K81-F83 WeakPolarHBondContact O-CD2 3.35Å; K81-F83 WeakPolarHBondContact O-CE2 3.43Å; K81-F83 PolarHBondContact O-N 3.2Å; F83-M85 VanDerWaalsContact C-N 3.3Å; F83-M85 PolarHBondContact O-N 3.37Å; F83-Q157 HydrophobicContact CB-CG 4.42Å; F83-Q157 VanDerWaalsContact O-CD 3.25Å; F83-Q157 PolarHBondContact O-NE2 3.37Å; F83-Q157 VanDerWaalsContact O-NE2 3.17Å; F83-Q158 PolarHBondContact O-NE2 3.03Å; F83-H161 HydrophobicContact CB-CB 4.33Å; F83-H161 AromaticContact CD1-CD2 3.99Å; F83-H161 AromaticContact CD1-CE1 3.83Å; F83-H161 AromaticContact CD1-NE2 3.68Å; F83-H161 AromaticContact CD2-ND1 3.86Å; F83-H161 AromaticContact CE1-CE1 3.7Å; F83-H161 AromaticContact CE1-NE2 3.87Å; F83-H161 AromaticContact CE2-ND1 3.97Å; F83-H161 AromaticContact CG-CD2 3.99Å; F83-H161 AromaticContact CG-CG 3.93Å; F83-H161 AromaticContact CG-ND1 3.98Å; F83-H161 AromaticContact CZ-CE1 3.82Å |
| 84 | C | 89 | Confident | 90.1 | Very high | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.014 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -64.3 | -38 | 175.9 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | C61 L66 L79 D82 | C61-C84 WeakPolarHBondContact CA-SG 3.47Å; C61-C84 HydrophobicContact CB-CB 3.88Å; C61-C84 WeakPolarHBondContact CB-SG 3.31Å; C61-C84 WeakPolarHBondContact SG-CB 3.46Å; C61-C84 CovalentContact SG-SG 2.02Å; C61-C84 PolarHBondContact SG-SG 3.49Å; L66-C84 HydrophobicContact CD1-CB 4.5Å; L79-C84 HydrophobicContact CD2-CB 4.02Å; L79-C84 VanDerWaalsContact O-CB 3.26Å; L79-C84 WeakPolarHBondContact O-CB 3.31Å; L79-C84 PolarHBondContact O-N 3.15Å; D82-C84 PolarHBondContact O-N 2.96Å |
| 85 | M | 89.8 | Confident | 90.5 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | trans | -135.5 | 155.7 | 179.1 | -69.9 | -170.7 | 172.5 | 0 | 0 | 111.8 | L66 L79 F83 V90 L93 Q157 | L66-M85 HydrophobicContact CB-CE 3.59Å; L66-M85 HydrophobicContact CD1-CE 3.77Å; L66-M85 HydrophobicContact CD1-CG 3.89Å; L66-M85 HydrophobicContact CD2-CE 3.97Å; L66-M85 HydrophobicContact CG-CE 3.98Å; L79-M85 PolarHBondContact O-N 2.67Å; L79-M85 VanDerWaalsContact O-N 3.11Å; F83-M85 VanDerWaalsContact C-N 3.3Å; F83-M85 PolarHBondContact O-N 3.37Å; M85-V90 HydrophobicContact CB-CG2 4.24Å; M85-V90 HydrophobicContact SD-CG2 4.05Å; M85-L93 HydrophobicContact CE-CD1 3.35Å; M85-L93 HydrophobicContact SD-CD1 4.03Å; M85-Q157 PolarHBondContact O-NE2 3.28Å; M85-Q157 VanDerWaalsContact O-NE2 3.15Å | ||
| 86 | N | 91.4 | Very high | 90.9 | Very high | 65 Ų | 65 | 58 Ų | 58 | 35% | 0.348 | 29% | 0.293 | S | S | . | . | trans | -103 | 147.8 | 169.8 | -174.7 | -39.4 | 0 | 0 | 0 | 109 | Q88 T89 V90 Q157 | N86-Q88 PolarHBondContact O-N 3.41Å; N86-Q88 VanDerWaalsContact O-N 3.08Å; N86-Q88 PolarHBondContact OD1-N 3.15Å; N86-T89 WeakPolarHBondContact O-CA 3.49Å; N86-T89 WeakPolarHBondContact O-CB 3.12Å; N86-T89 PolarHBondContact O-N 3.11Å; N86-V90 PolarHBondContact O-N 3.29Å; N86-Q157 VanDerWaalsContact CB-OE1 3.31Å | ||
| 87 | P | 92.3 | Very high | 91.3 | Very high | 87 Ų | 87 | 53.1 Ų | 53.1 | 57% | 0.565 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -40.9 | -39.5 | 164.8 | -31.6 | 31.5 | 0 | 0 | 0 | 115.1 | L80 V90 L91 | L80-P87 HydrophobicContact CD2-CG 4.34Å; P87-V90 PolarHBondContact O-N 3.37Å; P87-L91 PolarHBondContact O-N 3.49Å |
| 88 | Q | 94.3 | Very high | 91.8 | Very high | 97 Ų | 97 | 52.3 Ų | 52.3 | 45% | 0.453 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.5 | -43 | 177 | -172.1 | 176.6 | -25.7 | 0 | 0 | 112.3 | N86 V90 L91 L92 L153 | N86-Q88 PolarHBondContact O-N 3.41Å; N86-Q88 VanDerWaalsContact O-N 3.08Å; N86-Q88 PolarHBondContact OD1-N 3.15Å; Q88-V90 VanDerWaalsContact C-N 3.34Å; Q88-L91 WeakPolarHBondContact O-CB 3.31Å; Q88-L91 PolarHBondContact O-N 3.35Å; Q88-L92 WeakPolarHBondContact O-CB 3.45Å; Q88-L92 PolarHBondContact O-N 3.27Å; Q88-L153 HydrophobicContact CB-CD2 3.94Å; Q88-L153 HydrophobicContact CG-CD2 3.65Å |
| 89 | T | 93.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 174.9 | -51.8 | 0 | 0 | 0 | 0 | 111.3 | N86 L91 L92 L93 A150 I154 | N86-T89 WeakPolarHBondContact O-CA 3.49Å; N86-T89 WeakPolarHBondContact O-CB 3.12Å; N86-T89 PolarHBondContact O-N 3.11Å; T89-L91 VanDerWaalsContact C-N 3.34Å; T89-L91 PolarHBondContact O-N 3.29Å; T89-L92 WeakPolarHBondContact O-CB 3.24Å; T89-L92 PolarHBondContact O-N 2.94Å; T89-L92 VanDerWaalsContact O-N 3.13Å; T89-L93 HydrophobicContact CG2-CD1 4.31Å; T89-L93 WeakPolarHBondContact O-CG 3.48Å; T89-L93 PolarHBondContact O-N 3.43Å; T89-A150 HydrophobicContact CG2-CB 4.29Å; T89-I154 HydrophobicContact CG2-CD1 3.66Å; T89-I154 HydrophobicContact CG2-CG1 3.63Å |
| 90 | V | 94.1 | Very high | 92.6 | Very high | 13 Ų | 13 | 50.8 Ų | 50.8 | 8% | 0.079 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 176.8 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | V71 V75 L80 M85 N86 P87 Q88 L92 L93 R94 | V71-V90 HydrophobicContact CB-CG1 4.31Å; V71-V90 HydrophobicContact CG1-CB 4.33Å; V71-V90 HydrophobicContact CG1-CG1 3.89Å; V71-V90 HydrophobicContact CG1-CG2 4.36Å; V75-V90 HydrophobicContact CG1-CG2 4.42Å; V75-V90 HydrophobicContact CG2-CG1 3.93Å; L80-V90 HydrophobicContact CD1-CG2 4.38Å; M85-V90 HydrophobicContact CB-CG2 4.24Å; M85-V90 HydrophobicContact SD-CG2 4.05Å; N86-V90 PolarHBondContact O-N 3.29Å; P87-V90 PolarHBondContact O-N 3.37Å; Q88-V90 VanDerWaalsContact C-N 3.34Å; V90-L92 VanDerWaalsContact C-N 3.3Å; V90-L92 PolarHBondContact O-N 3.3Å; V90-L93 PolarHBondContact O-N 2.79Å; V90-R94 WeakPolarHBondContact O-CG 3.44Å; V90-R94 PolarHBondContact O-N 3.32Å; V90-R94 VanDerWaalsContact O-N 3.07Å |
| 91 | L | 94.7 | Very high | 93 | Very high | 115 Ų | 115 | 52.1 Ų | 52.1 | 60% | 0.602 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -58.2 | -45.3 | 174.5 | -172.2 | 93.9 | 0 | 0 | 0 | 110.9 | P87 Q88 T89 L93 R94 V95 | P87-L91 PolarHBondContact O-N 3.49Å; Q88-L91 WeakPolarHBondContact O-CB 3.31Å; Q88-L91 PolarHBondContact O-N 3.35Å; T89-L91 VanDerWaalsContact C-N 3.34Å; T89-L91 PolarHBondContact O-N 3.29Å; L91-L93 PolarHBondContact O-N 2.83Å; L91-R94 WeakPolarHBondContact O-CB 3.35Å; L91-R94 PolarHBondContact O-N 2.84Å; L91-R94 VanDerWaalsContact O-N 3.14Å; L91-V95 WeakPolarHBondContact O-CG2 3.47Å; L91-V95 PolarHBondContact O-N 3.4Å |
| 92 | L | 95.7 | Very high | 93.5 | Very high | 13 Ų | 13 | 48.8 Ų | 48.8 | 7% | 0.068 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.4 | -40 | -176.6 | -146.2 | 145.6 | 0 | 0 | 0 | 112 | Q88 T89 V90 R94 V95 I96 F146 W149 A150 | Q88-L92 WeakPolarHBondContact O-CB 3.45Å; Q88-L92 PolarHBondContact O-N 3.27Å; T89-L92 WeakPolarHBondContact O-CB 3.24Å; T89-L92 PolarHBondContact O-N 2.94Å; T89-L92 VanDerWaalsContact O-N 3.13Å; V90-L92 VanDerWaalsContact C-N 3.3Å; V90-L92 PolarHBondContact O-N 3.3Å; L92-R94 VanDerWaalsContact C-N 3.35Å; L92-R94 PolarHBondContact O-N 3.29Å; L92-V95 WeakPolarHBondContact O-CB 3.39Å; L92-V95 PolarHBondContact O-N 3.06Å; L92-I96 HydrophobicContact CD2-CD1 3.96Å; L92-I96 WeakPolarHBondContact O-CG1 3.28Å; L92-I96 PolarHBondContact O-N 3.25Å; L92-F146 HydrophobicContact CD2-CB 3.63Å; L92-F146 HydrophobicContact CD2-CD1 4.4Å; L92-F146 HydrophobicContact CD2-CG 4.28Å; L92-F146 WeakPolarHBondContact CD2-O 3.46Å; L92-W149 HydrophobicContact CD1-CB 4.31Å; L92-W149 HydrophobicContact CD1-CD2 3.69Å; L92-W149 HydrophobicContact CD1-CE3 3.87Å; L92-W149 HydrophobicContact CD1-CG 3.92Å; L92-W149 HydrophobicContact CD1-CZ3 4.44Å; L92-A150 HydrophobicContact CD2-CB 3.98Å |
| 93 | L | 94.4 | Very high | 93.9 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.7 | -35.7 | 172.4 | -72.1 | 171.5 | 0 | 0 | 0 | 112.5 | V68 V71 M85 T89 V90 L91 I96 A97 | V68-L93 HydrophobicContact CG2-CD2 4.5Å; V71-L93 HydrophobicContact CB-CB 4.38Å; V71-L93 HydrophobicContact CG1-CB 4.02Å; V71-L93 HydrophobicContact CG1-CD1 4.01Å; V71-L93 HydrophobicContact CG2-CB 3.55Å; M85-L93 HydrophobicContact CE-CD1 3.35Å; M85-L93 HydrophobicContact SD-CD1 4.03Å; T89-L93 HydrophobicContact CG2-CD1 4.31Å; T89-L93 WeakPolarHBondContact O-CG 3.48Å; T89-L93 PolarHBondContact O-N 3.43Å; V90-L93 PolarHBondContact O-N 2.79Å; L91-L93 PolarHBondContact O-N 2.83Å; L93-I96 HydrophobicContact CD2-CD1 4.21Å; L93-I96 WeakPolarHBondContact O-CB 3.38Å; L93-I96 PolarHBondContact O-N 3.28Å; L93-A97 PolarHBondContact O-N 3.36Å |
| 94 | R | 95.8 | Very high | 94.4 | Very high | 123 Ų | 123 | 42.7 Ų | 42.7 | 46% | 0.464 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.1 | -38.9 | 173.7 | -71.8 | 177.3 | 172.5 | 179.2 | 1 | 112.1 | V71 V90 L91 L92 A97 A98 | V71-R94 HydrophobicContact CB-CG 3.86Å; V71-R94 HydrophobicContact CG2-CG 3.77Å; V71-R94 PolarHBondContact O-NE 2.87Å; V71-R94 VanDerWaalsContact O-NE 3.11Å; V90-R94 WeakPolarHBondContact O-CG 3.44Å; V90-R94 PolarHBondContact O-N 3.32Å; V90-R94 VanDerWaalsContact O-N 3.07Å; L91-R94 WeakPolarHBondContact O-CB 3.35Å; L91-R94 PolarHBondContact O-N 2.84Å; L91-R94 VanDerWaalsContact O-N 3.14Å; L92-R94 VanDerWaalsContact C-N 3.35Å; L92-R94 PolarHBondContact O-N 3.29Å; R94-A97 WeakPolarHBondContact O-CB 3.18Å; R94-A97 PolarHBondContact O-N 3.49Å; R94-A98 PolarHBondContact O-N 3.29Å |
| 95 | V | 96.6 | Very high | 94.7 | Very high | 52 Ų | 52 | 47.9 Ų | 47.9 | 32% | 0.315 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.2 | -47.2 | 173.8 | 172.1 | 0 | 0 | 0 | 0 | 109.8 | L91 L92 A97 A98 F99 F146 | L91-V95 WeakPolarHBondContact O-CG2 3.47Å; L91-V95 PolarHBondContact O-N 3.4Å; L92-V95 WeakPolarHBondContact O-CB 3.39Å; L92-V95 PolarHBondContact O-N 3.06Å; V95-A97 VanDerWaalsContact C-N 3.31Å; V95-A97 PolarHBondContact O-N 2.98Å; V95-A98 WeakPolarHBondContact O-CB 3.35Å; V95-A98 PolarHBondContact O-N 2.86Å; V95-F99 HydrophobicContact CG1-CD2 3.63Å; V95-F99 HydrophobicContact CG1-CE2 3.56Å; V95-F99 VanDerWaalsContact O-CD2 3.26Å; V95-F99 WeakPolarHBondContact O-CD2 3.32Å; V95-F99 PolarHBondContact O-N 3.37Å; V95-F146 HydrophobicContact CG1-CD2 4.17Å; V95-F146 HydrophobicContact CG1-CE2 3.95Å |
| 96 | I | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -53.8 | -48.7 | 173.6 | -72.6 | 162.7 | 0 | 0 | 0 | 111 | W53 V68 L92 L93 A98 F99 C100 V143 F146 | W53-I96 HydrophobicContact CE3-CG2 4.26Å; W53-I96 HydrophobicContact CH2-CG2 3.61Å; W53-I96 HydrophobicContact CZ2-CG2 4.38Å; W53-I96 HydrophobicContact CZ3-CG2 3.55Å; V68-I96 HydrophobicContact CG2-CG2 3.92Å; L92-I96 HydrophobicContact CD2-CD1 3.96Å; L92-I96 WeakPolarHBondContact O-CG1 3.28Å; L92-I96 PolarHBondContact O-N 3.25Å; L93-I96 HydrophobicContact CD2-CD1 4.21Å; L93-I96 WeakPolarHBondContact O-CB 3.38Å; L93-I96 PolarHBondContact O-N 3.28Å; I96-A98 VanDerWaalsContact C-N 3.33Å; I96-A98 PolarHBondContact O-N 3.47Å; I96-F99 PolarHBondContact O-N 3.14Å; I96-C100 PolarHBondContact O-N 2.93Å; I96-C100 PolarHBondContact O-SG 3.49Å; I96-V143 HydrophobicContact CG2-CG1 3.77Å; I96-F146 HydrophobicContact CD1-CB 3.87Å; I96-F146 HydrophobicContact CG1-CB 3.58Å |
| 97 | A | 95.4 | Very high | 94.9 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 3% | 0.033 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.2 | -47.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | V68 L72 L93 R94 V95 F99 C100 F101 | V68-A97 HydrophobicContact CG1-CB 3.35Å; L72-A97 HydrophobicContact CD2-CB 3.9Å; L93-A97 PolarHBondContact O-N 3.36Å; R94-A97 WeakPolarHBondContact O-CB 3.18Å; R94-A97 PolarHBondContact O-N 3.49Å; V95-A97 VanDerWaalsContact C-N 3.31Å; V95-A97 PolarHBondContact O-N 2.98Å; A97-F99 PolarHBondContact O-N 3.4Å; A97-C100 WeakPolarHBondContact O-CB 3.27Å; A97-C100 PolarHBondContact O-N 3.34Å; A97-F101 WeakPolarHBondContact O-CD2 3.32Å; A97-F101 PolarHBondContact O-N 3.44Å |
| 98 | A | 96 | Very high | 94.9 | Very high | 50 Ų | 50 | 45 Ų | 45 | 41% | 0.413 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.6 | -43.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R94 V95 I96 C100 F101 L102 | R94-A98 PolarHBondContact O-N 3.29Å; V95-A98 WeakPolarHBondContact O-CB 3.35Å; V95-A98 PolarHBondContact O-N 2.86Å; I96-A98 VanDerWaalsContact C-N 3.33Å; I96-A98 PolarHBondContact O-N 3.47Å; A98-C100 PolarHBondContact O-N 3.45Å; A98-F101 PolarHBondContact O-N 2.85Å; A98-L102 WeakPolarHBondContact O-CG 3.26Å; A98-L102 PolarHBondContact O-N 2.76Å |
| 99 | F | 96.3 | Very high | 94.6 | Very high | 66 Ų | 66 | 42.9 Ų | 42.9 | 29% | 0.289 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.2 | -37.5 | 175.5 | -84.4 | -76.7 | 0 | 0 | 0 | 112.6 | V95 I96 A97 L102 G103 Q139 V143 F146 | V95-F99 HydrophobicContact CG1-CD2 3.63Å; V95-F99 HydrophobicContact CG1-CE2 3.56Å; V95-F99 VanDerWaalsContact O-CD2 3.26Å; V95-F99 WeakPolarHBondContact O-CD2 3.32Å; V95-F99 PolarHBondContact O-N 3.37Å; I96-F99 PolarHBondContact O-N 3.14Å; A97-F99 PolarHBondContact O-N 3.4Å; F99-L102 PolarHBondContact O-N 3.24Å; F99-G103 PolarHBondContact O-N 3.3Å; F99-Q139 HydrophobicContact CD1-CG 4.31Å; F99-V143 HydrophobicContact CB-CG2 3.65Å; F99-F146 HydrophobicContact CD2-CD2 4.39Å; F99-F146 HydrophobicContact CD2-CE2 4.05Å; F99-F146 AromaticContact CE2-CE2 3.74Å; F99-F146 HydrophobicContact CE2-CE2 3.74Å; F99-F146 HydrophobicContact CZ-CE2 4.41Å |
| 100 | C | 95.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.1 | -43.6 | 173.6 | -73.7 | 0 | 0 | 0 | 0 | 112.2 | L48 I96 A97 A98 G103 I104 | L48-C100 HydrophobicContact CD1-CB 3.95Å; L48-C100 HydrophobicContact CD2-CB 3.55Å; L48-C100 HydrophobicContact CG-CB 3.76Å; I96-C100 PolarHBondContact O-N 2.93Å; I96-C100 PolarHBondContact O-SG 3.49Å; A97-C100 WeakPolarHBondContact O-CB 3.27Å; A97-C100 PolarHBondContact O-N 3.34Å; A98-C100 PolarHBondContact O-N 3.45Å; C100-G103 PolarHBondContact O-N 2.93Å; C100-I104 WeakPolarHBondContact O-CG1 3.43Å; C100-I104 PolarHBondContact O-N 2.93Å |
| 101 | F | 95.9 | Very high | 93.9 | Very high | 98 Ų | 98 | 45.2 Ų | 45.2 | 43% | 0.43 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.7 | -43.6 | 174.2 | -74.7 | -63.3 | 0 | 0 | 0 | 112.1 | L48 L72 A97 A98 G103 I104 L105 | L48-F101 HydrophobicContact CD1-CD1 3.67Å; L48-F101 HydrophobicContact CD1-CD2 4.39Å; L48-F101 HydrophobicContact CD1-CE1 3.58Å; L48-F101 HydrophobicContact CD1-CE2 4.31Å; L48-F101 HydrophobicContact CD1-CG 4.08Å; L48-F101 HydrophobicContact CD1-CZ 3.92Å; L72-F101 HydrophobicContact CD2-CE2 3.77Å; L72-F101 HydrophobicContact CD2-CZ 4.23Å; A97-F101 WeakPolarHBondContact O-CD2 3.32Å; A97-F101 PolarHBondContact O-N 3.44Å; A98-F101 PolarHBondContact O-N 2.85Å; F101-G103 VanDerWaalsContact C-N 3.29Å; F101-G103 PolarHBondContact O-N 3.36Å; F101-I104 PolarHBondContact O-N 3.47Å; F101-L105 WeakPolarHBondContact O-CG 3.43Å; F101-L105 PolarHBondContact O-N 2.89Å |
| 102 | L | 95.6 | Very high | 93.5 | Very high | 85 Ų | 85 | 43.7 Ų | 43.7 | 45% | 0.445 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.3 | -39 | 174.1 | -69.7 | 173.5 | 0 | 0 | 0 | 111.5 | A98 F99 L105 C106 | A98-L102 WeakPolarHBondContact O-CG 3.26Å; A98-L102 PolarHBondContact O-N 2.76Å; F99-L102 PolarHBondContact O-N 3.24Å; L102-L105 PolarHBondContact O-N 3.12Å; L102-C106 WeakPolarHBondContact O-CB 3.46Å; L102-C106 PolarHBondContact O-N 3.36Å; L102-C106 PolarHBondContact O-SG 3.44Å |
| 103 | G | 94.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.9 | -44.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | F99 C100 F101 C106 S107 | F99-G103 PolarHBondContact O-N 3.3Å; C100-G103 PolarHBondContact O-N 2.93Å; F101-G103 VanDerWaalsContact C-N 3.29Å; F101-G103 PolarHBondContact O-N 3.36Å; G103-C106 PolarHBondContact O-N 3Å; G103-S107 VanDerWaalsContact O-CB 3.3Å; G103-S107 WeakPolarHBondContact O-CB 3.37Å; G103-S107 PolarHBondContact O-N 2.88Å; G103-S107 PolarHBondContact O-OG 3.46Å; G103-S107 VanDerWaalsContact O-OG 3.08Å |
| 104 | I | 96 | Very high | 92.1 | Very high | 19 Ų | 19 | 44.1 Ų | 44.1 | 10% | 0.097 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.1 | -46.3 | 175.1 | -68.1 | 163.7 | 0 | 0 | 0 | 110.4 | L44 L48 C100 F101 C106 S107 L108 | L44-I104 HydrophobicContact CB-CD1 4.18Å; L44-I104 HydrophobicContact CB-CG1 3.59Å; L44-I104 HydrophobicContact CD1-CG1 4.27Å; L48-I104 HydrophobicContact CD1-CD1 3.43Å; L48-I104 VanDerWaalsContact CD1-CD1 3.43Å; L48-I104 HydrophobicContact CG-CD1 4.44Å; C100-I104 WeakPolarHBondContact O-CG1 3.43Å; C100-I104 PolarHBondContact O-N 2.93Å; F101-I104 PolarHBondContact O-N 3.47Å; I104-C106 PolarHBondContact O-N 3.34Å; I104-S107 PolarHBondContact O-N 3.02Å; I104-L108 HydrophobicContact CG2-CD1 3.71Å; I104-L108 HydrophobicContact CG2-CG 4.19Å; I104-L108 VanDerWaalsContact O-CB 3.28Å; I104-L108 WeakPolarHBondContact O-CB 3.42Å; I104-L108 VanDerWaalsContact O-CG 3.24Å; I104-L108 WeakPolarHBondContact O-CG 3.37Å; I104-L108 PolarHBondContact O-N 3Å |
| 105 | L | 95.2 | Very high | 91.3 | Very high | 112 Ų | 112 | 40.7 Ų | 40.7 | 59% | 0.586 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -62 | -44.2 | 177.9 | -68.3 | 173.6 | 0 | 0 | 0 | 111.8 | F101 L102 S109 | F101-L105 WeakPolarHBondContact O-CG 3.43Å; F101-L105 PolarHBondContact O-N 2.89Å; L102-L105 PolarHBondContact O-N 3.12Å; L105-S109 WeakPolarHBondContact O-CB 3.41Å; L105-S109 PolarHBondContact O-N 3.17Å; L105-S109 PolarHBondContact O-OG 2.88Å |
| 106 | C | 91.6 | Very high | 90.4 | Very high | 24 Ų | 24 | 45.5 Ų | 45.5 | 16% | 0.162 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.1 | -46.7 | 176.4 | -67 | 0 | 0 | 0 | 0 | 111 | L102 G103 I104 S109 A110 | L102-C106 WeakPolarHBondContact O-CB 3.46Å; L102-C106 PolarHBondContact O-N 3.36Å; L102-C106 PolarHBondContact O-SG 3.44Å; G103-C106 PolarHBondContact O-N 3Å; I104-C106 PolarHBondContact O-N 3.34Å; C106-S109 PolarHBondContact O-N 3.28Å; C106-S109 PolarHBondContact O-OG 2.87Å; C106-A110 PolarHBondContact O-N 3.33Å |
| 107 | S | 92.6 | Very high | 89 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.4 | -39.3 | 179.5 | -68.6 | 0 | 0 | 0 | 0 | 113 | I41 G103 I104 A110 F111 T136 | I41-S107 VanDerWaalsContact CG1-CB 3.5Å; G103-S107 VanDerWaalsContact O-CB 3.3Å; G103-S107 WeakPolarHBondContact O-CB 3.37Å; G103-S107 PolarHBondContact O-N 2.88Å; G103-S107 PolarHBondContact O-OG 3.46Å; G103-S107 VanDerWaalsContact O-OG 3.08Å; I104-S107 PolarHBondContact O-N 3.02Å; S107-A110 WeakPolarHBondContact O-CB 3.15Å; S107-A110 PolarHBondContact O-N 2.91Å; S107-F111 WeakPolarHBondContact O-CB 3.21Å; S107-F111 PolarHBondContact O-N 2.8Å; S107-T136 WeakPolarHBondContact OG-CG2 3.3Å; S107-T136 PolarHBondContact OG-OG1 2.84Å |
| 108 | L | 92.1 | Very high | 87.5 | Confident | 68 Ų | 68 | 48.1 Ų | 48.1 | 36% | 0.356 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.6 | -46.9 | 172.9 | -78.6 | 170.8 | 0 | 0 | 0 | 110.4 | I41 I104 A110 F111 L112 | I41-L108 HydrophobicContact CD1-CD2 3.95Å; I41-L108 HydrophobicContact CD1-CG 4.36Å; I41-L108 HydrophobicContact CG1-CD2 4.49Å; I41-L108 HydrophobicContact CG2-CD2 4.05Å; I41-L108 HydrophobicContact CG2-CG 4.32Å; I104-L108 HydrophobicContact CG2-CD1 3.71Å; I104-L108 HydrophobicContact CG2-CG 4.19Å; I104-L108 VanDerWaalsContact O-CB 3.28Å; I104-L108 WeakPolarHBondContact O-CB 3.42Å; I104-L108 VanDerWaalsContact O-CG 3.24Å; I104-L108 WeakPolarHBondContact O-CG 3.37Å; I104-L108 PolarHBondContact O-N 3Å; L108-A110 VanDerWaalsContact C-N 3.31Å; L108-A110 PolarHBondContact O-N 3.08Å; L108-F111 PolarHBondContact O-N 3.15Å; L108-L112 WeakPolarHBondContact O-CB 3.43Å; L108-L112 WeakPolarHBondContact O-CG 3.47Å; L108-L112 PolarHBondContact O-N 3.05Å |
| 109 | S | 88 | Confident | 85.8 | Confident | 53 Ų | 53 | 55.8 Ų | 55.8 | 37% | 0.371 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.7 | -42.7 | 176.1 | 76 | 0 | 0 | 0 | 0 | 111.6 | L105 C106 L112 L113 | L105-S109 WeakPolarHBondContact O-CB 3.41Å; L105-S109 PolarHBondContact O-N 3.17Å; L105-S109 PolarHBondContact O-OG 2.88Å; C106-S109 PolarHBondContact O-N 3.28Å; C106-S109 PolarHBondContact O-OG 2.87Å; S109-L112 PolarHBondContact O-N 3.38Å; S109-L113 VanDerWaalsContact O-CG 3.23Å; S109-L113 WeakPolarHBondContact O-CG 3.42Å; S109-L113 PolarHBondContact O-N 3.44Å |
| 110 | A | 87.3 | Confident | 84.5 | Confident | 4 Ų | 4 | 59 Ų | 59 | 3% | 0.033 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.5 | -47 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | C106 S107 L108 L112 L113 D114 A132 | C106-A110 PolarHBondContact O-N 3.33Å; S107-A110 WeakPolarHBondContact O-CB 3.15Å; S107-A110 PolarHBondContact O-N 2.91Å; L108-A110 VanDerWaalsContact C-N 3.31Å; L108-A110 PolarHBondContact O-N 3.08Å; A110-L112 PolarHBondContact O-N 2.96Å; A110-L113 WeakPolarHBondContact O-CB 3.44Å; A110-L113 PolarHBondContact O-N 3.15Å; A110-D114 WeakPolarHBondContact O-CB 3.4Å; A110-D114 PolarHBondContact O-N 2.83Å; A110-A132 HydrophobicContact CB-CB 3.6Å |
| 111 | F | 87.1 | Confident | 82.8 | Confident | 57 Ų | 57 | 62.8 Ų | 62.8 | 25% | 0.25 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 178.2 | 177.9 | -96.6 | 0 | 0 | 0 | 112.1 | A34 A38 I41 S107 L108 D114 V115 | A34-F111 HydrophobicContact CB-CD2 4.26Å; A34-F111 HydrophobicContact CB-CE2 3.91Å; A34-F111 WeakPolarHBondContact O-CD2 3.33Å; A34-F111 WeakPolarHBondContact O-CE2 3.43Å; A38-F111 HydrophobicContact CB-CD2 4.26Å; A38-F111 HydrophobicContact CB-CE2 3.87Å; I41-F111 HydrophobicContact CD1-CB 3.67Å; I41-F111 HydrophobicContact CD1-CG 4.03Å; S107-F111 WeakPolarHBondContact O-CB 3.21Å; S107-F111 PolarHBondContact O-N 2.8Å; L108-F111 PolarHBondContact O-N 3.15Å; F111-D114 WeakPolarHBondContact O-CB 3.5Å; F111-D114 PolarHBondContact O-N 3.03Å; F111-V115 HydrophobicContact CD1-CG2 4.21Å; F111-V115 HydrophobicContact CD2-CG2 4.4Å; F111-V115 HydrophobicContact CE1-CG2 3.76Å; F111-V115 HydrophobicContact CE2-CG2 3.98Å; F111-V115 HydrophobicContact CZ-CG2 3.64Å; F111-V115 WeakPolarHBondContact O-CG2 3.36Å; F111-V115 PolarHBondContact O-N 3.39Å |
| 112 | L | 85 | Confident | 81.3 | Confident | 84 Ų | 84 | 61 Ų | 61 | 44% | 0.44 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.5 | -38.1 | 176.4 | -64.6 | 168.8 | 0 | 0 | 0 | 111.4 | L108 S109 A110 D114 V115 F116 | L108-L112 WeakPolarHBondContact O-CB 3.43Å; L108-L112 WeakPolarHBondContact O-CG 3.47Å; L108-L112 PolarHBondContact O-N 3.05Å; S109-L112 PolarHBondContact O-N 3.38Å; A110-L112 PolarHBondContact O-N 2.96Å; L112-D114 VanDerWaalsContact C-N 3.32Å; L112-V115 PolarHBondContact O-N 2.94Å; L112-F116 HydrophobicContact CB-CD2 4.12Å; L112-F116 HydrophobicContact CB-CE2 4.38Å; L112-F116 HydrophobicContact CD2-CD2 4.15Å; L112-F116 HydrophobicContact CD2-CE2 3.55Å; L112-F116 WeakPolarHBondContact O-CB 3.43Å; L112-F116 WeakPolarHBondContact O-CD2 3.34Å; L112-F116 PolarHBondContact O-N 3.28Å |
| 113 | L | 81.9 | Confident | 79.8 | Confident | 21 Ų | 21 | 60.4 Ų | 60.4 | 11% | 0.11 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 172.7 | -71 | 176.2 | 0 | 0 | 0 | 111.9 | S109 A110 G117 P118 L123 T126 | S109-L113 VanDerWaalsContact O-CG 3.23Å; S109-L113 WeakPolarHBondContact O-CG 3.42Å; S109-L113 PolarHBondContact O-N 3.44Å; A110-L113 WeakPolarHBondContact O-CB 3.44Å; A110-L113 PolarHBondContact O-N 3.15Å; L113-G117 PolarHBondContact O-N 3.46Å; L113-P118 HydrophobicContact CD2-CG 3.54Å; L113-L123 HydrophobicContact CD2-CB 3.85Å; L113-L123 HydrophobicContact CD2-CD2 3.85Å; L113-L123 HydrophobicContact CD2-CG 4.29Å; L113-T126 HydrophobicContact CD1-CG2 3.92Å |
| 114 | D | 80.3 | Confident | 78.4 | Confident | 3 Ų | 3 | 63.1 Ų | 63.1 | 2% | 0.016 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.1 | -44.8 | 177.3 | -80.2 | -21.2 | 0 | 0 | 0 | 111 | S30 S33 A110 F111 L112 H133 N194 | S30-D114 WeakPolarHBondContact OG-CA 3.49Å; S30-D114 WeakPolarHBondContact OG-CB 3.41Å; S30-D114 PolarHBondContact OG-O 3.04Å; S33-D114 PolarHBondContact OG-OD2 3.09Å; A110-D114 WeakPolarHBondContact O-CB 3.4Å; A110-D114 PolarHBondContact O-N 2.83Å; F111-D114 WeakPolarHBondContact O-CB 3.5Å; F111-D114 PolarHBondContact O-N 3.03Å; L112-D114 VanDerWaalsContact C-N 3.32Å; D114-H133 IonicContact OD2-CD2 3.99Å; D114-H133 IonicContact OD2-NE2 3.04Å; D114-H133 PolarHBondContact OD2-NE2 3.38Å; D114-N194 PolarHBondContact OD1-ND2 3.37Å; D114-N194 VanDerWaalsContact OD1-ND2 3.1Å; D114-N194 PolarHBondContact OD1-OD1 2.95Å; D114-N194 PolarHBondContact OD2-ND2 3.33Å |
| 115 | V | 78.1 | Confident | 77.1 | Confident | 51 Ų | 51 | 66.2 Ų | 66.2 | 31% | 0.309 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -77.2 | -45.8 | -177.4 | 172.1 | 0 | 0 | 0 | 0 | 113.2 | A34 F111 L112 | A34-V115 HydrophobicContact CB-CG2 4.4Å; F111-V115 HydrophobicContact CD1-CG2 4.21Å; F111-V115 HydrophobicContact CD2-CG2 4.4Å; F111-V115 HydrophobicContact CE1-CG2 3.76Å; F111-V115 HydrophobicContact CE2-CG2 3.98Å; F111-V115 HydrophobicContact CZ-CG2 3.64Å; F111-V115 WeakPolarHBondContact O-CG2 3.36Å; F111-V115 PolarHBondContact O-N 3.39Å; L112-V115 PolarHBondContact O-N 2.94Å |
| 116 | F | 77.6 | Confident | 75.8 | Confident | 153 Ų | 153 | 63.1 Ų | 63.1 | 67% | 0.671 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -87.4 | -19.8 | -171.7 | -67.4 | -56.3 | 0 | 0 | 0 | 114.1 | L112 | L112-F116 HydrophobicContact CB-CD2 4.12Å; L112-F116 HydrophobicContact CB-CE2 4.38Å; L112-F116 HydrophobicContact CD2-CD2 4.15Å; L112-F116 HydrophobicContact CD2-CE2 3.55Å; L112-F116 WeakPolarHBondContact O-CB 3.43Å; L112-F116 WeakPolarHBondContact O-CD2 3.34Å; L112-F116 PolarHBondContact O-N 3.28Å |
| 117 | G | 67.1 | Low | 74.8 | Confident | 27 Ų | 27 | 62.9 Ų | 62.9 | 28% | 0.278 | 34% | 0.335 | S | S | . | . | trans | 48.8 | 58.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L113 | L113-G117 PolarHBondContact O-N 3.46Š| ||
| 118 | P | 63.3 | Low | 73.7 | Confident | 32 Ų | 32 | 65.1 Ų | 65.1 | 21% | 0.208 | 34% | 0.343 | C | S | . | . | trans | -58.6 | 142.8 | -169.7 | 21.8 | -33.3 | 0 | 0 | 0 | 113.3 | L113 H120 L123 | L113-P118 HydrophobicContact CD2-CG 3.54Å; P118-H120 VanDerWaalsContact C-N 3.33Å; P118-H120 PolarHBondContact O-N 2.81Å; P118-L123 HydrophobicContact CB-CB 3.94Å; P118-L123 HydrophobicContact CB-CD1 3.57Å; P118-L123 HydrophobicContact CB-CG 4.42Å; P118-L123 HydrophobicContact CG-CB 3.43Å; P118-L123 VanDerWaalsContact CG-CB 3.43Å; P118-L123 HydrophobicContact CG-CD1 3.79Å; P118-L123 HydrophobicContact CG-CG 4.21Å | ||
| 119 | K | 61.7 | Low | 72.8 | Confident | 211 Ų | 211 | 69.6 Ų | 69.6 | 92% | 0.917 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -72.5 | -20.1 | -177.8 | -64.3 | -174.4 | 177.6 | -175.5 | 0 | 114.3 | ||
| 120 | H | 67.1 | Low | 72.5 | Confident | 133 Ų | 133 | 67.3 Ų | 67.3 | 62% | 0.616 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -72.4 | 130.8 | -174.4 | -139.3 | -73.5 | 0 | 0 | 0 | 110.3 | P118 A122 L123 K124 | P118-H120 VanDerWaalsContact C-N 3.33Å; P118-H120 PolarHBondContact O-N 2.81Å; H120-A122 VanDerWaalsContact C-N 3.28Å; H120-A122 PolarHBondContact O-N 3.22Å; H120-L123 HydrophobicContact CB-CD1 4.23Å; H120-L123 HydrophobicContact CB-CG 4.48Å; H120-L123 PolarHBondContact O-N 3.2Å; H120-K124 PolarHBondContact O-N 2.77Å; H120-K124 VanDerWaalsContact O-N 3.13Å |
| 121 | P | 60.8 | Low | 72.5 | Confident | 81 Ų | 81 | 73 Ų | 73 | 53% | 0.526 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -55.7 | -40.2 | -173.8 | 17.7 | -32.5 | 0 | 0 | 0 | 113.2 | L123 K124 I125 | P121-L123 VanDerWaalsContact C-N 3.35Å; P121-L123 PolarHBondContact O-N 2.73Å; P121-K124 WeakPolarHBondContact O-CB 3.45Å; P121-K124 PolarHBondContact O-N 3.41Å; P121-K124 VanDerWaalsContact O-N 3.13Å; P121-I125 WeakPolarHBondContact O-CG1 3.35Å; P121-I125 PolarHBondContact O-N 3.17Å |
| 122 | A | 64 | Low | 72.5 | Confident | 60 Ų | 60 | 70.9 Ų | 70.9 | 50% | 0.496 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58 | -43.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | H120 K124 I125 T126 | H120-A122 VanDerWaalsContact C-N 3.28Å; H120-A122 PolarHBondContact O-N 3.22Å; A122-K124 VanDerWaalsContact C-N 3.34Å; A122-I125 PolarHBondContact O-N 3.17Å; A122-T126 PolarHBondContact O-N 2.97Å; A122-T126 VanDerWaalsContact O-N 3.15Å; A122-T126 PolarHBondContact O-OG1 3.1Å |
| 123 | L | 63.3 | Low | 72.8 | Confident | 74 Ų | 74 | 67 Ų | 67 | 39% | 0.387 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -74 | -29.2 | 179.2 | -61.6 | 170.5 | 0 | 0 | 0 | 111.6 | L113 P118 H120 P121 T126 R127 | L113-L123 HydrophobicContact CD2-CB 3.85Å; L113-L123 HydrophobicContact CD2-CD2 3.85Å; L113-L123 HydrophobicContact CD2-CG 4.29Å; P118-L123 HydrophobicContact CB-CB 3.94Å; P118-L123 HydrophobicContact CB-CD1 3.57Å; P118-L123 HydrophobicContact CB-CG 4.42Å; P118-L123 HydrophobicContact CG-CB 3.43Å; P118-L123 VanDerWaalsContact CG-CB 3.43Å; P118-L123 HydrophobicContact CG-CD1 3.79Å; P118-L123 HydrophobicContact CG-CG 4.21Å; H120-L123 HydrophobicContact CB-CD1 4.23Å; H120-L123 HydrophobicContact CB-CG 4.48Å; H120-L123 PolarHBondContact O-N 3.2Å; P121-L123 VanDerWaalsContact C-N 3.35Å; P121-L123 PolarHBondContact O-N 2.73Å; L123-T126 PolarHBondContact O-N 2.89Å; L123-R127 WeakPolarHBondContact O-CB 3.4Å; L123-R127 PolarHBondContact O-N 3.21Å |
| 124 | K | 67.5 | Low | 73.3 | Confident | 59 Ų | 59 | 69.4 Ų | 69.4 | 26% | 0.257 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 173.4 | -154.2 | 178.6 | -178.5 | -173.4 | 0 | 111 | H120 P121 A122 R127 R128 E205 | H120-K124 PolarHBondContact O-N 2.77Å; H120-K124 VanDerWaalsContact O-N 3.13Å; P121-K124 WeakPolarHBondContact O-CB 3.45Å; P121-K124 PolarHBondContact O-N 3.41Å; P121-K124 VanDerWaalsContact O-N 3.13Å; A122-K124 VanDerWaalsContact C-N 3.34Å; K124-R127 PolarHBondContact O-N 2.88Å; K124-R128 PolarHBondContact O-N 2.83Å; K124-E205 WeakPolarHBondContact CE-OE1 3.28Å; K124-E205 IonicContact NZ-OE1 3Å; K124-E205 PolarHBondContact NZ-OE1 3.4Å; K124-E205 IonicContact NZ-OE2 3.87Å; K124-E205 PolarHBondContact NZ-OE2 3.03Å |
| 125 | I | 67.9 | Low | 73.9 | Confident | 83 Ų | 83 | 72 Ų | 72 | 43% | 0.426 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.3 | -49 | 173.5 | -68 | 165.8 | 0 | 0 | 0 | 110.8 | P121 A122 R127 R128 Y129 | P121-I125 WeakPolarHBondContact O-CG1 3.35Å; P121-I125 PolarHBondContact O-N 3.17Å; A122-I125 PolarHBondContact O-N 3.17Å; I125-R127 VanDerWaalsContact C-N 3.25Å; I125-R127 PolarHBondContact O-N 2.92Å; I125-R128 PolarHBondContact O-N 2.98Å; I125-R128 VanDerWaalsContact O-N 3.11Å; I125-Y129 HydrophobicContact CG2-CD2 3.78Å; I125-Y129 HydrophobicContact CG2-CE2 3.8Å; I125-Y129 VanDerWaalsContact O-CD2 3.31Å; I125-Y129 WeakPolarHBondContact O-CD2 3.46Å; I125-Y129 PolarHBondContact O-N 3.34Å; I125-Y129 VanDerWaalsContact O-N 3.15Å |
| 126 | T | 68.4 | Low | 74.7 | Confident | 48 Ų | 48 | 69.6 Ų | 69.6 | 29% | 0.294 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59 | -38.8 | 179 | -44.9 | 0 | 0 | 0 | 0 | 111.9 | L113 A122 L123 A130 F131 | L113-T126 HydrophobicContact CD1-CG2 3.92Å; A122-T126 PolarHBondContact O-N 2.97Å; A122-T126 VanDerWaalsContact O-N 3.15Å; A122-T126 PolarHBondContact O-OG1 3.1Å; L123-T126 PolarHBondContact O-N 2.89Å; T126-A130 PolarHBondContact O-N 2.88Å; T126-F131 HydrophobicContact CG2-CB 4.37Å |
| 127 | R | 69.9 | Low | 75.6 | Confident | 18 Ų | 18 | 64 Ų | 64 | 7% | 0.068 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 174.9 | -169.1 | 179.3 | 73.6 | 160.1 | 5.5 | 111.9 | E28 L123 K124 I125 Y129 A130 | E28-R127 IonicContact OE2-NH2 2.64Å; L123-R127 WeakPolarHBondContact O-CB 3.4Å; L123-R127 PolarHBondContact O-N 3.21Å; K124-R127 PolarHBondContact O-N 2.88Å; I125-R127 VanDerWaalsContact C-N 3.25Å; I125-R127 PolarHBondContact O-N 2.92Å; R127-Y129 VanDerWaalsContact C-N 3.34Å; R127-Y129 PolarHBondContact O-N 2.95Å; R127-A130 PolarHBondContact O-N 3.32Å |
| 128 | R | 68.8 | Low | 77.1 | Confident | 48 Ų | 48 | 67.6 Ų | 67.6 | 18% | 0.181 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.3 | -39.9 | -179.9 | -83.1 | -176 | 179.3 | -175 | 1.3 | 112.8 | K124 I125 Y199 P200 E205 | K124-R128 PolarHBondContact O-N 2.83Å; I125-R128 PolarHBondContact O-N 2.98Å; I125-R128 VanDerWaalsContact O-N 3.11Å; R128-Y199 HydrophobicContact CG-CD1 4.28Å; R128-Y199 HydrophobicContact CG-CD2 4.06Å; R128-Y199 HydrophobicContact CG-CE2 4.47Å; R128-Y199 HydrophobicContact CG-CG 3.94Å; R128-P200 PolarHBondContact NH2-O 3.06Å; R128-E205 IonicContact NH2-OE1 3.53Å; R128-E205 PolarHBondContact NH2-OE1 3.11Å; R128-E205 IonicContact NH2-OE2 2.72Å |
| 129 | Y | 73.4 | Confident | 78.6 | Confident | 162 Ų | 162 | 67.1 Ų | 67.1 | 64% | 0.635 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -0.9 | -178.5 | -68.5 | -69.2 | 0 | 0 | 0 | 114.7 | I125 R127 F131 I134 | I125-Y129 HydrophobicContact CG2-CD2 3.78Å; I125-Y129 HydrophobicContact CG2-CE2 3.8Å; I125-Y129 VanDerWaalsContact O-CD2 3.31Å; I125-Y129 WeakPolarHBondContact O-CD2 3.46Å; I125-Y129 PolarHBondContact O-N 3.34Å; I125-Y129 VanDerWaalsContact O-N 3.15Å; R127-Y129 VanDerWaalsContact C-N 3.34Å; R127-Y129 PolarHBondContact O-N 2.95Å; Y129-F131 PolarHBondContact O-N 3.5Å; Y129-I134 WeakPolarHBondContact O-CD1 3.44Å |
| 130 | A | 83 | Confident | 80.3 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 3% | 0.033 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 30 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T126 R127 A132 H133 I134 T191 N194 | T126-A130 PolarHBondContact O-N 2.88Å; R127-A130 PolarHBondContact O-N 3.32Å; A130-A132 VanDerWaalsContact C-N 3.27Å; A130-A132 PolarHBondContact O-N 2.84Å; A130-H133 PolarHBondContact O-N 3.04Å; A130-I134 WeakPolarHBondContact O-CG1 3.4Å; A130-I134 PolarHBondContact O-N 2.96Å; A130-T191 HydrophobicContact CB-CG2 3.97Å; A130-N194 HydrophobicContact CB-CB 3.98Å |
| 131 | F | 86 | Confident | 81.8 | Confident | 125 Ų | 125 | 53.8 Ų | 53.8 | 55% | 0.548 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58 | -39.5 | -167.9 | -179.7 | -99.1 | 0 | 0 | 0 | 112.5 | T126 Y129 I134 L135 | T126-F131 HydrophobicContact CG2-CB 4.37Å; Y129-F131 PolarHBondContact O-N 3.5Å; F131-I134 PolarHBondContact O-N 3.34Å; F131-L135 HydrophobicContact CE1-CD2 4.49Å; F131-L135 WeakPolarHBondContact O-CB 3.32Å; F131-L135 PolarHBondContact O-N 3.27Å |
| 132 | A | 88.1 | Confident | 83.5 | Confident | 11 Ų | 11 | 52.5 Ų | 52.5 | 9% | 0.091 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68 | -35.4 | -180 | 0 | 0 | 0 | 0 | 0 | 113.1 | A110 A130 T136 | A110-A132 HydrophobicContact CB-CB 3.6Å; A130-A132 VanDerWaalsContact C-N 3.27Å; A130-A132 PolarHBondContact O-N 2.84Å; A132-T136 PolarHBondContact O-N 3.27Å; A132-T136 PolarHBondContact O-OG1 3.25Å |
| 133 | H | 90.9 | Very high | 85.1 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 1% | 0.014 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.5 | -41.4 | 173.5 | -72.6 | -60.8 | 0 | 0 | 0 | 110.9 | D114 A130 L135 T136 V137 T191 | D114-H133 IonicContact OD2-CD2 3.99Å; D114-H133 IonicContact OD2-NE2 3.04Å; D114-H133 PolarHBondContact OD2-NE2 3.38Å; A130-H133 PolarHBondContact O-N 3.04Å; H133-L135 VanDerWaalsContact C-N 3.34Å; H133-L135 PolarHBondContact O-N 2.95Å; H133-T136 WeakPolarHBondContact O-CB 3.48Å; H133-T136 PolarHBondContact O-N 3.39Å; H133-T136 VanDerWaalsContact O-N 3.15Å; H133-V137 WeakPolarHBondContact O-CG2 3.48Å; H133-V137 PolarHBondContact O-N 3.32Å; H133-T191 WeakPolarHBondContact CB-OG1 3.08Å |
| 134 | I | 92.6 | Very high | 86.7 | Confident | 71 Ų | 71 | 48.8 Ų | 48.8 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.2 | -46 | 174.5 | -63.7 | 169.4 | 0 | 0 | 0 | 110.7 | Y129 A130 F131 T136 V137 L138 T191 | Y129-I134 WeakPolarHBondContact O-CD1 3.44Å; A130-I134 WeakPolarHBondContact O-CG1 3.4Å; A130-I134 PolarHBondContact O-N 2.96Å; F131-I134 PolarHBondContact O-N 3.34Å; I134-T136 VanDerWaalsContact C-N 3.28Å; I134-T136 PolarHBondContact O-N 3.21Å; I134-V137 WeakPolarHBondContact O-CB 3.37Å; I134-V137 PolarHBondContact O-N 2.91Å; I134-V137 VanDerWaalsContact O-N 3.16Å; I134-L138 WeakPolarHBondContact O-CG 3.33Å; I134-L138 PolarHBondContact O-N 3.18Å; I134-T191 HydrophobicContact CD1-CG2 4.35Å; I134-T191 HydrophobicContact CG1-CG2 3.84Å |
| 135 | L | 93.2 | Very high | 88.1 | Confident | 58 Ų | 58 | 47.9 Ų | 47.9 | 30% | 0.304 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61 | -39.3 | 176.9 | -174.2 | 62.9 | 0 | 0 | 0 | 111.7 | F131 H133 L138 Q139 | F131-L135 HydrophobicContact CE1-CD2 4.49Å; F131-L135 WeakPolarHBondContact O-CB 3.32Å; F131-L135 PolarHBondContact O-N 3.27Å; H133-L135 VanDerWaalsContact C-N 3.34Å; H133-L135 PolarHBondContact O-N 2.95Å; L135-L138 PolarHBondContact O-N 3.49Å; L135-Q139 WeakPolarHBondContact O-CG 3.39Å; L135-Q139 PolarHBondContact O-N 3.39Å |
| 136 | T | 95.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.2 | -42.3 | 175.1 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | L44 S107 A132 H133 I134 L138 Q139 C140 S187 | L44-T136 HydrophobicContact CD1-CG2 4.26Å; S107-T136 WeakPolarHBondContact OG-CG2 3.3Å; S107-T136 PolarHBondContact OG-OG1 2.84Å; A132-T136 PolarHBondContact O-N 3.27Å; A132-T136 PolarHBondContact O-OG1 3.25Å; H133-T136 WeakPolarHBondContact O-CB 3.48Å; H133-T136 PolarHBondContact O-N 3.39Å; H133-T136 VanDerWaalsContact O-N 3.15Å; I134-T136 VanDerWaalsContact C-N 3.28Å; I134-T136 PolarHBondContact O-N 3.21Å; T136-L138 PolarHBondContact O-N 2.9Å; T136-Q139 PolarHBondContact O-N 3.32Å; T136-C140 PolarHBondContact O-N 3.46Å; T136-C140 PolarHBondContact O-SG 3.19Å; T136-S187 WeakPolarHBondContact CG2-OG 3.47Å |
| 137 | V | 96.7 | Very high | 90.8 | Very high | 35 Ų | 35 | 44.6 Ų | 44.6 | 21% | 0.212 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.4 | -45.1 | 176.3 | 175.1 | 0 | 0 | 0 | 0 | 111 | H133 I134 Q139 C140 A141 I188 | H133-V137 WeakPolarHBondContact O-CG2 3.48Å; H133-V137 PolarHBondContact O-N 3.32Å; I134-V137 WeakPolarHBondContact O-CB 3.37Å; I134-V137 PolarHBondContact O-N 2.91Å; I134-V137 VanDerWaalsContact O-N 3.16Å; V137-Q139 VanDerWaalsContact C-N 3.33Å; V137-Q139 PolarHBondContact O-N 3.03Å; V137-C140 PolarHBondContact O-N 2.95Å; V137-A141 PolarHBondContact O-N 3.46Å; V137-I188 HydrophobicContact CB-CG1 4.47Å; V137-I188 HydrophobicContact CG1-CD1 4.17Å; V137-I188 HydrophobicContact CG1-CG1 3.95Å; V137-I188 HydrophobicContact CG2-CG1 3.61Å |
| 138 | L | 96.5 | Very high | 92.1 | Very high | 104 Ų | 104 | 49.9 Ų | 49.9 | 55% | 0.545 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.8 | -43.2 | 176 | -66.8 | 176.1 | 0 | 0 | 0 | 111.3 | I134 L135 T136 A141 T142 | I134-L138 WeakPolarHBondContact O-CG 3.33Å; I134-L138 PolarHBondContact O-N 3.18Å; L135-L138 PolarHBondContact O-N 3.49Å; T136-L138 PolarHBondContact O-N 2.9Å; L138-A141 PolarHBondContact O-N 2.85Å; L138-T142 WeakPolarHBondContact O-CG2 3.46Å; L138-T142 PolarHBondContact O-N 3.49Å; L138-T142 PolarHBondContact O-OG1 3.47Å |
| 139 | Q | 95.9 | Very high | 93.4 | Very high | 21 Ų | 21 | 53.7 Ų | 53.7 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 176.4 | -73.5 | 172.2 | -20 | 0 | 0 | 111.8 | F99 L135 T136 V137 A141 T142 V143 | F99-Q139 HydrophobicContact CD1-CG 4.31Å; L135-Q139 WeakPolarHBondContact O-CG 3.39Å; L135-Q139 PolarHBondContact O-N 3.39Å; T136-Q139 PolarHBondContact O-N 3.32Å; V137-Q139 VanDerWaalsContact C-N 3.33Å; V137-Q139 PolarHBondContact O-N 3.03Å; Q139-A141 VanDerWaalsContact C-N 3.32Å; Q139-A141 PolarHBondContact O-N 3.16Å; Q139-T142 WeakPolarHBondContact CA-OG1 3.3Å; Q139-T142 PolarHBondContact O-N 3.29Å; Q139-T142 PolarHBondContact O-OG1 3.48Å; Q139-V143 WeakPolarHBondContact O-CG2 3.49Å; Q139-V143 PolarHBondContact O-N 3.5Å |
| 140 | C | 97.4 | Very high | 94.5 | Very high | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.034 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59 | -43.8 | 174.8 | -66.6 | 0 | 0 | 0 | 0 | 111.3 | T136 V137 T142 V143 I144 V180 | T136-C140 PolarHBondContact O-N 3.46Å; T136-C140 PolarHBondContact O-SG 3.19Å; V137-C140 PolarHBondContact O-N 2.95Å; C140-T142 PolarHBondContact O-N 3.46Å; C140-V143 PolarHBondContact O-N 3.46Å; C140-I144 VanDerWaalsContact O-CG1 3.27Å; C140-I144 WeakPolarHBondContact O-CG1 3.38Å; C140-I144 PolarHBondContact O-N 2.91Å; C140-V180 HydrophobicContact CB-CG1 4.04Å |
| 141 | A | 97.9 | Very high | 95 | Very high | 59 Ų | 59 | 46.3 Ų | 46.3 | 49% | 0.488 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.7 | -42.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V137 L138 Q139 I144 G145 | V137-A141 PolarHBondContact O-N 3.46Å; L138-A141 PolarHBondContact O-N 2.85Å; Q139-A141 VanDerWaalsContact C-N 3.32Å; Q139-A141 PolarHBondContact O-N 3.16Å; A141-I144 PolarHBondContact O-N 3.03Å; A141-G145 PolarHBondContact O-N 3.36Å |
| 142 | T | 97.1 | Very high | 95.5 | Very high | 55 Ų | 55 | 44.1 Ų | 44.1 | 34% | 0.337 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.7 | -40.6 | 175.5 | 59.4 | 0 | 0 | 0 | 0 | 112.5 | L138 Q139 C140 G145 F146 | L138-T142 WeakPolarHBondContact O-CG2 3.46Å; L138-T142 PolarHBondContact O-N 3.49Å; L138-T142 PolarHBondContact O-OG1 3.47Å; Q139-T142 WeakPolarHBondContact CA-OG1 3.3Å; Q139-T142 PolarHBondContact O-N 3.29Å; Q139-T142 PolarHBondContact O-OG1 3.48Å; C140-T142 PolarHBondContact O-N 3.46Å; T142-G145 PolarHBondContact O-N 3.46Å; T142-F146 WeakPolarHBondContact O-CB 3.34Å; T142-F146 VanDerWaalsContact O-CD2 3.3Å; T142-F146 WeakPolarHBondContact O-CD2 3.49Å; T142-F146 WeakPolarHBondContact O-CG 3.44Å; T142-F146 PolarHBondContact O-N 3.33Å |
| 143 | V | 97.7 | Very high | 95.8 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.8 | -43.1 | 176.1 | 167.6 | 0 | 0 | 0 | 0 | 110.9 | W53 I96 F99 Q139 C140 F146 S147 V180 | W53-V143 HydrophobicContact CH2-CG1 3.97Å; W53-V143 HydrophobicContact CZ3-CG1 3.79Å; I96-V143 HydrophobicContact CG2-CG1 3.77Å; F99-V143 HydrophobicContact CB-CG2 3.65Å; Q139-V143 WeakPolarHBondContact O-CG2 3.49Å; Q139-V143 PolarHBondContact O-N 3.5Å; C140-V143 PolarHBondContact O-N 3.46Å; V143-F146 PolarHBondContact O-N 3.49Å; V143-S147 VanDerWaalsContact O-CB 3.32Å; V143-S147 WeakPolarHBondContact O-CB 3.25Å; V143-S147 PolarHBondContact O-N 3.49Å; V143-S147 PolarHBondContact O-OG 2.8Å; V143-V180 HydrophobicContact CB-CG1 4.12Å; V143-V180 HydrophobicContact CG1-CB 4.49Å; V143-V180 HydrophobicContact CG1-CG1 3.82Å; V143-V180 HydrophobicContact CG1-CG2 4.17Å |
| 144 | I | 96.7 | Very high | 95.9 | Very high | 53 Ų | 53 | 44.8 Ų | 44.8 | 27% | 0.272 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.2 | -47.2 | 175.4 | -71.7 | 165.8 | 0 | 0 | 0 | 110.4 | C140 A141 F146 S147 Y148 F177 V180 A181 | C140-I144 VanDerWaalsContact O-CG1 3.27Å; C140-I144 WeakPolarHBondContact O-CG1 3.38Å; C140-I144 PolarHBondContact O-N 2.91Å; A141-I144 PolarHBondContact O-N 3.03Å; I144-F146 PolarHBondContact O-N 3.32Å; I144-S147 WeakPolarHBondContact O-CB 3.4Å; I144-S147 PolarHBondContact O-N 2.82Å; I144-Y148 PolarHBondContact O-N 3.38Å; I144-F177 HydrophobicContact CB-CE2 4.29Å; I144-F177 HydrophobicContact CG1-CE2 4.25Å; I144-F177 HydrophobicContact CG2-CE2 3.77Å; I144-F177 HydrophobicContact CG2-CZ 3.9Å; I144-V180 HydrophobicContact CG1-CG1 4.32Å; I144-A181 HydrophobicContact CD1-CB 4.05Å |
| 145 | G | 97.5 | Very high | 95.9 | Very high | 39 Ų | 39 | 43.1 Ų | 43.1 | 40% | 0.402 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.2 | -43.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A141 T142 Y148 W149 | A141-G145 PolarHBondContact O-N 3.36Å; T142-G145 PolarHBondContact O-N 3.46Å; G145-Y148 PolarHBondContact O-N 2.83Å; G145-W149 PolarHBondContact O-N 3.05Å |
| 146 | F | 97 | Very high | 95.8 | Very high | 56 Ų | 56 | 42.5 Ų | 42.5 | 25% | 0.246 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.1 | -37.8 | 174.2 | -72 | -33.1 | 0 | 0 | 0 | 112.3 | L92 V95 I96 F99 T142 V143 I144 Y148 W149 A150 | L92-F146 HydrophobicContact CD2-CB 3.63Å; L92-F146 HydrophobicContact CD2-CD1 4.4Å; L92-F146 HydrophobicContact CD2-CG 4.28Å; L92-F146 WeakPolarHBondContact CD2-O 3.46Å; V95-F146 HydrophobicContact CG1-CD2 4.17Å; V95-F146 HydrophobicContact CG1-CE2 3.95Å; I96-F146 HydrophobicContact CD1-CB 3.87Å; I96-F146 HydrophobicContact CG1-CB 3.58Å; F99-F146 HydrophobicContact CD2-CD2 4.39Å; F99-F146 HydrophobicContact CD2-CE2 4.05Å; F99-F146 AromaticContact CE2-CE2 3.74Å; F99-F146 HydrophobicContact CE2-CE2 3.74Å; F99-F146 HydrophobicContact CZ-CE2 4.41Å; T142-F146 WeakPolarHBondContact O-CB 3.34Å; T142-F146 VanDerWaalsContact O-CD2 3.3Å; T142-F146 WeakPolarHBondContact O-CD2 3.49Å; T142-F146 WeakPolarHBondContact O-CG 3.44Å; T142-F146 PolarHBondContact O-N 3.33Å; V143-F146 PolarHBondContact O-N 3.49Å; I144-F146 PolarHBondContact O-N 3.32Å; F146-Y148 VanDerWaalsContact C-N 3.32Å; F146-Y148 PolarHBondContact O-N 3.33Å; F146-W149 HydrophobicContact CD1-CE3 4.06Å; F146-W149 HydrophobicContact CE1-CE3 4.3Å; F146-W149 HydrophobicContact CE1-CZ3 4.39Å; F146-W149 WeakPolarHBondContact O-CB 3.41Å; F146-W149 PolarHBondContact O-N 2.92Å; F146-W149 VanDerWaalsContact O-N 3.16Å; F146-A150 PolarHBondContact O-N 3.27Å |
| 147 | S | 95.6 | Very high | 95.6 | Very high | 6 Ų | 6 | 43.5 Ų | 43.5 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.1 | -41.2 | 176.3 | -58.8 | 0 | 0 | 0 | 0 | 111.3 | V143 I144 A150 S151 | V143-S147 VanDerWaalsContact O-CB 3.32Å; V143-S147 WeakPolarHBondContact O-CB 3.25Å; V143-S147 PolarHBondContact O-N 3.49Å; V143-S147 PolarHBondContact O-OG 2.8Å; I144-S147 WeakPolarHBondContact O-CB 3.4Å; I144-S147 PolarHBondContact O-N 2.82Å; S147-A150 PolarHBondContact O-N 3.07Å; S147-S151 PolarHBondContact O-N 2.95Å |
| 148 | Y | 96.7 | Very high | 95.2 | Very high | 129 Ų | 129 | 41.8 Ų | 41.8 | 51% | 0.506 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.3 | -46.9 | 172 | 177.4 | -103.2 | 0 | 0 | 0 | 111.2 | I144 G145 F146 A150 S151 E152 F173 | I144-Y148 PolarHBondContact O-N 3.38Å; G145-Y148 PolarHBondContact O-N 2.83Å; F146-Y148 VanDerWaalsContact C-N 3.32Å; F146-Y148 PolarHBondContact O-N 3.33Å; Y148-A150 PolarHBondContact O-N 3.29Å; Y148-S151 WeakPolarHBondContact O-CB 3.38Å; Y148-S151 PolarHBondContact O-N 3.42Å; Y148-S151 VanDerWaalsContact O-N 3.11Å; Y148-S151 PolarHBondContact O-OG 3.19Å; Y148-E152 HydrophobicContact CE1-CG 4.01Å; Y148-E152 HydrophobicContact CE2-CG 4.18Å; Y148-E152 VanDerWaalsContact CZ-OE1 3.32Å; Y148-E152 PolarHBondContact O-N 2.97Å; Y148-E152 VanDerWaalsContact O-N 3.12Å; Y148-E152 PolarHBondContact OH-OE1 3.17Å; Y148-F173 HydrophobicContact CD2-CZ 4.03Å |
| 149 | W | 97.1 | Very high | 94.8 | Very high | 129 Ų | 129 | 41.7 Ų | 41.7 | 49% | 0.489 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.1 | -44.7 | 177.2 | -168.2 | 5.7 | 0 | 0 | 0 | 112.4 | L92 G145 F146 S151 E152 L153 | L92-W149 HydrophobicContact CD1-CB 4.31Å; L92-W149 HydrophobicContact CD1-CD2 3.69Å; L92-W149 HydrophobicContact CD1-CE3 3.87Å; L92-W149 HydrophobicContact CD1-CG 3.92Å; L92-W149 HydrophobicContact CD1-CZ3 4.44Å; G145-W149 PolarHBondContact O-N 3.05Å; F146-W149 HydrophobicContact CD1-CE3 4.06Å; F146-W149 HydrophobicContact CE1-CE3 4.3Å; F146-W149 HydrophobicContact CE1-CZ3 4.39Å; F146-W149 WeakPolarHBondContact O-CB 3.41Å; F146-W149 PolarHBondContact O-N 2.92Å; F146-W149 VanDerWaalsContact O-N 3.16Å; W149-S151 VanDerWaalsContact C-N 3.29Å; W149-S151 PolarHBondContact O-N 3.06Å; W149-E152 PolarHBondContact O-N 3.18Å; W149-L153 HydrophobicContact CG-CD1 4.21Å; W149-L153 WeakPolarHBondContact O-CD1 3.26Å; W149-L153 PolarHBondContact O-N 2.89Å; W149-L153 VanDerWaalsContact O-N 3.14Å |
| 150 | A | 95.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.8 | -41.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L54 T89 L92 F146 S147 Y148 E152 L153 I154 | L54-A150 HydrophobicContact CD1-CB 4.25Å; T89-A150 HydrophobicContact CG2-CB 4.29Å; L92-A150 HydrophobicContact CD2-CB 3.98Å; F146-A150 PolarHBondContact O-N 3.27Å; S147-A150 PolarHBondContact O-N 3.07Å; Y148-A150 PolarHBondContact O-N 3.29Å; A150-E152 PolarHBondContact O-N 3.38Å; A150-L153 PolarHBondContact O-N 3.39Å; A150-I154 WeakPolarHBondContact O-CG1 3.27Å; A150-I154 PolarHBondContact O-N 3.11Å |
| 151 | S | 94.6 | Very high | 93.9 | Very high | 10 Ų | 10 | 51.3 Ų | 51.3 | 7% | 0.07 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.4 | -40.9 | -179.7 | 77.1 | 0 | 0 | 0 | 0 | 112.4 | S147 Y148 W149 I154 L155 | S147-S151 PolarHBondContact O-N 2.95Å; Y148-S151 WeakPolarHBondContact O-CB 3.38Å; Y148-S151 PolarHBondContact O-N 3.42Å; Y148-S151 VanDerWaalsContact O-N 3.11Å; Y148-S151 PolarHBondContact O-OG 3.19Å; W149-S151 VanDerWaalsContact C-N 3.29Å; W149-S151 PolarHBondContact O-N 3.06Å; S151-I154 PolarHBondContact O-N 3Å; S151-L155 WeakPolarHBondContact O-CB 3.4Å; S151-L155 PolarHBondContact O-N 3.32Å |
| 152 | E | 95.6 | Very high | 93.1 | Very high | 79 Ų | 79 | 53.1 Ų | 53.1 | 37% | 0.369 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.3 | -39.3 | 176.6 | -70.7 | -65.5 | 159.5 | 0 | 0 | 111.5 | Y148 W149 A150 L155 A156 | Y148-E152 HydrophobicContact CE1-CG 4.01Å; Y148-E152 HydrophobicContact CE2-CG 4.18Å; Y148-E152 VanDerWaalsContact CZ-OE1 3.32Å; Y148-E152 PolarHBondContact O-N 2.97Å; Y148-E152 VanDerWaalsContact O-N 3.12Å; Y148-E152 PolarHBondContact OH-OE1 3.17Å; W149-E152 PolarHBondContact O-N 3.18Å; A150-E152 PolarHBondContact O-N 3.38Å; E152-L155 PolarHBondContact O-N 2.92Å; E152-A156 WeakPolarHBondContact O-CB 3.35Å; E152-A156 PolarHBondContact O-N 2.7Å |
| 153 | L | 94.2 | Very high | 92.2 | Very high | 29 Ų | 29 | 56.5 Ų | 56.5 | 15% | 0.152 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 175.4 | -94.1 | 76.8 | 0 | 0 | 0 | 112.2 | Q88 W149 A150 L155 A156 Q157 | Q88-L153 HydrophobicContact CB-CD2 3.94Å; Q88-L153 HydrophobicContact CG-CD2 3.65Å; W149-L153 HydrophobicContact CG-CD1 4.21Å; W149-L153 WeakPolarHBondContact O-CD1 3.26Å; W149-L153 PolarHBondContact O-N 2.89Å; W149-L153 VanDerWaalsContact O-N 3.14Å; A150-L153 PolarHBondContact O-N 3.39Å; L153-L155 VanDerWaalsContact C-N 3.35Å; L153-A156 PolarHBondContact O-N 3.37Å; L153-Q157 WeakPolarHBondContact O-CB 3.2Å; L153-Q157 PolarHBondContact O-N 3.4Å |
| 154 | I | 92.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 178.5 | -70.2 | 163 | 0 | 0 | 0 | 110 | L54 I56 L66 T89 A150 S151 A156 Q157 Q158 V171 | L54-I154 HydrophobicContact CD1-CD1 3.47Å; L54-I154 VanDerWaalsContact CD1-CD1 3.47Å; I56-I154 HydrophobicContact CD1-CG2 3.52Å; I56-I154 HydrophobicContact CG1-CG2 3.93Å; L66-I154 HydrophobicContact CD1-CD1 4.31Å; T89-I154 HydrophobicContact CG2-CD1 3.66Å; T89-I154 HydrophobicContact CG2-CG1 3.63Å; A150-I154 WeakPolarHBondContact O-CG1 3.27Å; A150-I154 PolarHBondContact O-N 3.11Å; S151-I154 PolarHBondContact O-N 3Å; I154-A156 PolarHBondContact O-N 2.93Å; I154-Q157 PolarHBondContact O-N 2.87Å; I154-Q158 HydrophobicContact CG2-CG 4.28Å; I154-Q158 WeakPolarHBondContact O-CB 3.48Å; I154-Q158 WeakPolarHBondContact O-CG 3.22Å; I154-Q158 PolarHBondContact O-N 3.46Å; I154-V171 HydrophobicContact CB-CG2 4.46Å; I154-V171 HydrophobicContact CG2-CG2 3.88Å |
| 155 | L | 92.7 | Very high | 90.5 | Very high | 35 Ų | 35 | 71.1 Ų | 71.1 | 18% | 0.183 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.4 | -47.8 | 178 | -178.4 | 62.8 | 0 | 0 | 0 | 111.1 | S151 E152 L153 Q157 Q158 Q159 V169 V171 | S151-L155 WeakPolarHBondContact O-CB 3.4Å; S151-L155 PolarHBondContact O-N 3.32Å; E152-L155 PolarHBondContact O-N 2.92Å; L153-L155 VanDerWaalsContact C-N 3.35Å; L155-Q157 VanDerWaalsContact C-N 3.3Å; L155-Q157 PolarHBondContact O-N 2.94Å; L155-Q158 PolarHBondContact O-N 3Å; L155-Q159 HydrophobicContact CD1-CG 4.29Å; L155-Q159 HydrophobicContact CG-CG 4.43Å; L155-Q159 WeakPolarHBondContact O-CB 3.47Å; L155-Q159 VanDerWaalsContact O-CG 3.26Å; L155-Q159 WeakPolarHBondContact O-CG 3.46Å; L155-Q159 PolarHBondContact O-N 3.39Å; L155-V169 HydrophobicContact CD1-CG1 4.28Å; L155-V171 HydrophobicContact CB-CG2 4.07Å; L155-V171 HydrophobicContact CD1-CG2 4.3Å |
| 156 | A | 92.3 | Very high | 89.6 | Confident | 46 Ų | 46 | 72.8 Ų | 72.8 | 38% | 0.38 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.7 | -42.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E152 L153 I154 Q159 Q160 | E152-A156 WeakPolarHBondContact O-CB 3.35Å; E152-A156 PolarHBondContact O-N 2.7Å; L153-A156 PolarHBondContact O-N 3.37Å; I154-A156 PolarHBondContact O-N 2.93Å; A156-Q159 PolarHBondContact O-N 3.49Å; A156-Q160 WeakPolarHBondContact O-CG 3.2Å; A156-Q160 PolarHBondContact O-N 3.17Å |
| 157 | Q | 90 | Very high | 89 | Confident | 20 Ų | 20 | 72 Ų | 72 | 9% | 0.093 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.5 | -45.7 | 177.2 | -174.1 | 173.2 | 2.2 | 0 | 0 | 112.2 | F83 M85 N86 L153 I154 L155 Q159 Q160 H161 | F83-Q157 HydrophobicContact CB-CG 4.42Å; F83-Q157 VanDerWaalsContact O-CD 3.25Å; F83-Q157 PolarHBondContact O-NE2 3.37Å; F83-Q157 VanDerWaalsContact O-NE2 3.17Å; M85-Q157 PolarHBondContact O-NE2 3.28Å; M85-Q157 VanDerWaalsContact O-NE2 3.15Å; N86-Q157 VanDerWaalsContact CB-OE1 3.31Å; L153-Q157 WeakPolarHBondContact O-CB 3.2Å; L153-Q157 PolarHBondContact O-N 3.4Å; I154-Q157 PolarHBondContact O-N 2.87Å; L155-Q157 VanDerWaalsContact C-N 3.3Å; L155-Q157 PolarHBondContact O-N 2.94Å; Q157-Q159 VanDerWaalsContact C-N 3.29Å; Q157-Q159 PolarHBondContact O-N 3.28Å; Q157-Q160 PolarHBondContact O-N 3.36Å; Q157-H161 PolarHBondContact O-N 3.04Å; Q157-H161 VanDerWaalsContact O-N 3.08Å |
| 158 | Q | 89.4 | Confident | 88.5 | Confident | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -70.2 | -26.7 | 179.2 | -68.4 | -67.7 | -47.4 | 0 | 0 | 112.5 | I56 F83 I154 L155 H161 K162 V169 | I56-Q158 HydrophobicContact CG2-CG 4.33Å; F83-Q158 PolarHBondContact O-NE2 3.03Å; I154-Q158 HydrophobicContact CG2-CG 4.28Å; I154-Q158 WeakPolarHBondContact O-CB 3.48Å; I154-Q158 WeakPolarHBondContact O-CG 3.22Å; I154-Q158 PolarHBondContact O-N 3.46Å; L155-Q158 PolarHBondContact O-N 3Å; Q158-H161 CarbonylContact O-C 3.38Å; Q158-H161 PolarHBondContact O-N 3.17Å; Q158-K162 PolarHBondContact O-N 3.38Å; Q158-V169 HydrophobicContact CB-CG1 3.49Å; Q158-V169 VanDerWaalsContact CB-CG1 3.49Å; Q158-V169 HydrophobicContact CG-CG1 4.45Å |
| 159 | Q | 88.6 | Confident | 88.2 | Confident | 101 Ų | 101 | 74 Ų | 74 | 47% | 0.472 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -69.5 | -31.6 | 171.4 | -77.1 | -179.1 | 0.5 | 0 | 0 | 113 | L155 A156 Q157 K162 | L155-Q159 HydrophobicContact CD1-CG 4.29Å; L155-Q159 HydrophobicContact CG-CG 4.43Å; L155-Q159 WeakPolarHBondContact O-CB 3.47Å; L155-Q159 VanDerWaalsContact O-CG 3.26Å; L155-Q159 WeakPolarHBondContact O-CG 3.46Å; L155-Q159 PolarHBondContact O-N 3.39Å; A156-Q159 PolarHBondContact O-N 3.49Å; Q157-Q159 VanDerWaalsContact C-N 3.29Å; Q157-Q159 PolarHBondContact O-N 3.28Å; Q159-K162 WeakPolarHBondContact O-CE 3.31Å; Q159-K162 WeakPolarHBondContact O-CG 3.2Å |
| 160 | Q | 87.6 | Confident | 87.9 | Confident | 159 Ų | 159 | 73.4 Ų | 73.4 | 74% | 0.743 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -73.7 | -36.8 | 173.3 | -70.7 | 177.1 | -8.7 | 0 | 0 | 111.6 | A156 Q157 | A156-Q160 WeakPolarHBondContact O-CG 3.2Å; A156-Q160 PolarHBondContact O-N 3.17Å; Q157-Q160 PolarHBondContact O-N 3.36Å |
| 161 | H | 85.3 | Confident | 87.8 | Confident | 69 Ų | 69 | 74.6 Ų | 74.6 | 32% | 0.319 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -108.5 | 55.8 | -177.1 | -66.5 | -85.6 | 0 | 0 | 0 | 112.7 | T60 F83 Q157 Q158 | T60-H161 WeakPolarHBondContact CG2-O 3.35Å; T60-H161 PolarHBondContact OG1-O 2.72Å; T60-H161 VanDerWaalsContact OG1-O 3.13Å; F83-H161 HydrophobicContact CB-CB 4.33Å; F83-H161 AromaticContact CD1-CD2 3.99Å; F83-H161 AromaticContact CD1-CE1 3.83Å; F83-H161 AromaticContact CD1-NE2 3.68Å; F83-H161 AromaticContact CD2-ND1 3.86Å; F83-H161 AromaticContact CE1-CE1 3.7Å; F83-H161 AromaticContact CE1-NE2 3.87Å; F83-H161 AromaticContact CE2-ND1 3.97Å; F83-H161 AromaticContact CG-CD2 3.99Å; F83-H161 AromaticContact CG-CG 3.93Å; F83-H161 AromaticContact CG-ND1 3.98Å; F83-H161 AromaticContact CZ-CE1 3.82Å; Q157-H161 PolarHBondContact O-N 3.04Å; Q157-H161 VanDerWaalsContact O-N 3.08Å; Q158-H161 CarbonylContact O-C 3.38Å; Q158-H161 PolarHBondContact O-N 3.17Å |
| 162 | K | 82.1 | Confident | 87.8 | Confident | 97 Ų | 97 | 76.5 Ų | 76.5 | 42% | 0.422 | 38% | 0.384 | S | S | . | . | trans | -70.7 | 132.6 | 176.8 | -67 | -177.5 | -177.1 | -170.9 | 0 | 111.2 | Q158 Q159 Y164 V169 | Q158-K162 PolarHBondContact O-N 3.38Å; Q159-K162 WeakPolarHBondContact O-CE 3.31Å; Q159-K162 WeakPolarHBondContact O-CG 3.2Å; K162-Y164 PolarHBondContact O-N 2.93Å; K162-V169 HydrophobicContact CG-CG2 4.22Å | ||
| 163 | K | 77.8 | Confident | 87.8 | Confident | 127 Ų | 127 | 75.2 Ų | 75.2 | 55% | 0.552 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -66.4 | -35.9 | 178.5 | -170.6 | 173.9 | -179 | 170.1 | 0 | 113.3 | G59 T60 | G59-K163 WeakPolarHBondContact O-CB 3.19Å; T60-K163 HydrophobicContact CG2-CB 3.85Å; T60-K163 HydrophobicContact CG2-CG 4.41Å |
| 164 | Y | 80.2 | Confident | 87.9 | Confident | 156 Ų | 156 | 74 Ų | 74 | 61% | 0.612 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -134.6 | 138.4 | 177.1 | -58.9 | -77.4 | 0 | 0 | 0 | 110.2 | K162 G166 S167 | K162-Y164 PolarHBondContact O-N 2.93Å; Y164-G166 PolarHBondContact O-N 3.3Å; Y164-S167 VanDerWaalsContact O-CB 3.31Å; Y164-S167 WeakPolarHBondContact O-CB 3.48Å; Y164-S167 PolarHBondContact O-N 3.48Å |
| 165 | H | 77.5 | Confident | 88 | Confident | 207 Ų | 207 | 78.1 Ų | 78.1 | 96% | 0.958 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 124 | 173.3 | -77.7 | -82.6 | 0 | 0 | 0 | 109.9 | ||
| 166 | G | 79.2 | Confident | 88.1 | Confident | 74 Ų | 74 | 76.5 Ų | 76.5 | 76% | 0.763 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.6 | -5.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y164 Q168 | Y164-G166 PolarHBondContact O-N 3.3Å; G166-Q168 PolarHBondContact O-N 3Å |
| 167 | S | 84.4 | Confident | 88.3 | Confident | 39 Ų | 39 | 75.7 Ų | 75.7 | 27% | 0.273 | 38% | 0.375 | S | S | . | . | trans | -65.5 | 134.6 | 174.4 | -175.3 | 0 | 0 | 0 | 0 | 111 | Y164 | Y164-S167 VanDerWaalsContact O-CB 3.31Å; Y164-S167 WeakPolarHBondContact O-CB 3.48Å; Y164-S167 PolarHBondContact O-N 3.48Å | ||
| 168 | Q | 85.4 | Confident | 88.6 | Confident | 162 Ų | 162 | 81.4 Ų | 81.4 | 76% | 0.757 | 40% | 0.397 | S | S | * | . | trans | -79.3 | 135.1 | 174.2 | -67.9 | -173 | -0.3 | 0 | 0 | 109.8 | G166 | G166-Q168 PolarHBondContact O-N 3Š| ||
| 169 | V | 89.9 | Confident | 89 | Confident | 15 Ų | 15 | 83.6 Ų | 83.6 | 9% | 0.091 | 41% | 0.409 | C | S | . | . | trans | -127.8 | 128.6 | 176.6 | 177.9 | 0 | 0 | 0 | 0 | 106.5 | H57 L155 Q158 K162 | H57-V169 WeakPolarHBondContact O-CA 3.29Å; L155-V169 HydrophobicContact CD1-CG1 4.28Å; Q158-V169 HydrophobicContact CB-CG1 3.49Å; Q158-V169 VanDerWaalsContact CB-CG1 3.49Å; Q158-V169 HydrophobicContact CG-CG1 4.45Å; K162-V169 HydrophobicContact CG-CG2 4.22Å | ||
| 170 | Y | 91.5 | Very high | 89.4 | Confident | 116 Ų | 116 | 78.8 Ų | 78.8 | 46% | 0.455 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 152.8 | 173.7 | 60.8 | -85.4 | 0 | 0 | 0 | 109.8 | H57 T172 | H57-Y170 HydrophobicContact CB-CD1 4.04Å; H57-Y170 HydrophobicContact CB-CD2 4.03Å; H57-Y170 HydrophobicContact CB-CE1 3.64Å; H57-Y170 HydrophobicContact CB-CE2 3.64Å; H57-Y170 HydrophobicContact CB-CG 4.21Å; H57-Y170 VanDerWaalsContact CB-CZ 3.43Å; H57-Y170 AromaticContact CD2-CD2 3.79Å; H57-Y170 AromaticContact CD2-CE2 3.3Å; H57-Y170 WeakPolarHBondContact CD2-CE2 3.22Å; H57-Y170 AromaticContact CD2-CZ 3.9Å; H57-Y170 AromaticContact CG-CE2 3.48Å; H57-Y170 VanDerWaalsContact CG-CE2 3.48Å; H57-Y170 AromaticContact CG-CZ 3.57Å; H57-Y170 PolarHBondContact N-O 3.41Å; H57-Y170 PolarHBondContact O-N 3.13Å; Y170-T172 HydrophobicContact CD2-CG2 3.69Å; Y170-T172 HydrophobicContact CE2-CG2 3.77Å |
| 171 | V | 93.7 | Very high | 89.9 | Confident | 26 Ų | 26 | 73.1 Ų | 73.1 | 16% | 0.158 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 129.5 | 179.1 | -179.3 | 0 | 0 | 0 | 0 | 107.5 | L54 H55 I56 I154 L155 | L54-V171 HydrophobicContact CB-CG1 4.16Å; L54-V171 HydrophobicContact CD2-CG1 4.21Å; H55-V171 CarbonylContact O-C 3.56Å; H55-V171 WeakPolarHBondContact O-CA 3.4Å; I56-V171 HydrophobicContact CG1-CG2 4.43Å; I154-V171 HydrophobicContact CB-CG2 4.46Å; I154-V171 HydrophobicContact CG2-CG2 3.88Å; L155-V171 HydrophobicContact CB-CG2 4.07Å; L155-V171 HydrophobicContact CD1-CG2 4.3Å |
| 172 | T | 94.6 | Very high | 90.5 | Very high | 50 Ų | 50 | 71.9 Ų | 71.9 | 31% | 0.307 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 146.8 | 177.2 | 58.7 | 0 | 0 | 0 | 0 | 110.7 | H55 H57 Y170 | H55-T172 WeakPolarHBondContact CB-OG1 3.18Å; H55-T172 PolarHBondContact N-O 2.73Å; H55-T172 PolarHBondContact O-N 2.71Å; H57-T172 PolarHBondContact NE2-OG1 3.23Å; H57-T172 VanDerWaalsContact NE2-OG1 3.17Å; Y170-T172 HydrophobicContact CD2-CG2 3.69Å; Y170-T172 HydrophobicContact CE2-CG2 3.77Å |
| 173 | F | 95.5 | Very high | 91.2 | Very high | 52 Ų | 52 | 67.2 Ų | 67.2 | 23% | 0.228 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 144.1 | 171.9 | -62.9 | -68.2 | 0 | 0 | 0 | 111 | L54 Y148 F177 Y178 | L54-F173 HydrophobicContact CD2-CD1 3.61Å; L54-F173 HydrophobicContact CD2-CE1 3.75Å; Y148-F173 HydrophobicContact CD2-CZ 4.03Å; F173-F177 HydrophobicContact CB-CB 3.94Å; F173-F177 HydrophobicContact CB-CD1 3.74Å; F173-F177 HydrophobicContact CB-CD2 4.39Å; F173-F177 HydrophobicContact CB-CE1 4.35Å; F173-F177 HydrophobicContact CB-CG 3.77Å; F173-F177 HydrophobicContact CD1-CB 4.23Å; F173-F177 HydrophobicContact CD1-CD1 4.36Å; F173-F177 AromaticContact CD1-CD2 3.54Å; F173-F177 HydrophobicContact CD1-CD2 3.54Å; F173-F177 AromaticContact CD1-CE2 3.89Å; F173-F177 HydrophobicContact CD1-CE2 3.89Å; F173-F177 AromaticContact CD1-CG 3.79Å; F173-F177 HydrophobicContact CD1-CG 3.79Å; F173-F177 HydrophobicContact CD1-CZ 4.45Å; F173-F177 HydrophobicContact CD2-CE1 4.37Å; F173-F177 HydrophobicContact CD2-CZ 4.35Å; F173-F177 HydrophobicContact CE1-CD2 4.03Å; F173-F177 HydrophobicContact CE1-CE2 4.02Å; F173-F177 HydrophobicContact CG-CB 4.4Å; F173-F177 AromaticContact CG-CD1 3.96Å; F173-F177 HydrophobicContact CG-CD1 3.96Å; F173-F177 AromaticContact CG-CD2 3.97Å; F173-F177 HydrophobicContact CG-CD2 3.97Å; F173-F177 HydrophobicContact CG-CE1 4.2Å; F173-F177 HydrophobicContact CG-CE2 4.18Å; F173-F177 AromaticContact CG-CG 3.85Å; F173-F177 HydrophobicContact CG-CG 3.85Å; F173-F177 HydrophobicContact CG-CZ 4.3Å; F173-F177 HydrophobicContact CZ-CE2 4.42Å; F173-Y178 HydrophobicContact CB-CE2 4.35Å |
| 174 | A | 95.1 | Very high | 92.1 | Very high | 4 Ų | 4 | 61.5 Ų | 61.5 | 3% | 0.033 | 33% | 0.329 | C | S | . | . | trans | -111.3 | -174.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A52 W53 H55 S176 F177 Y178 | A52-A174 VanDerWaalsContact C-CB 3.42Å; A52-A174 HydrophobicContact CB-CB 3.85Å; A52-A174 WeakPolarHBondContact O-CB 3.39Å; W53-A174 WeakPolarHBondContact O-CB 3.4Å; W53-A174 PolarHBondContact O-N 3.39Å; H55-A174 WeakPolarHBondContact CD2-CB 3.43Å; A174-S176 VanDerWaalsContact C-N 3.28Å; A174-S176 PolarHBondContact O-N 2.94Å; A174-F177 WeakPolarHBondContact O-CB 3.36Å; A174-F177 PolarHBondContact O-N 3.44Å; A174-F177 VanDerWaalsContact O-N 3.13Å; A174-Y178 VanDerWaalsContact O-CD2 3.22Å; A174-Y178 WeakPolarHBondContact O-CD2 3.3Å | ||
| 175 | V | 94.9 | Very high | 92.9 | Very high | 86 Ų | 86 | 55.6 Ų | 55.6 | 52% | 0.521 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -53.4 | -42.5 | -170.8 | -179.1 | 0 | 0 | 0 | 0 | 112.7 | F177 Y178 L179 | V175-F177 VanDerWaalsContact C-N 3.29Å; V175-F177 PolarHBondContact O-N 3.26Å; V175-Y178 PolarHBondContact O-N 3.06Å; V175-L179 HydrophobicContact CG1-CD1 3.88Å; V175-L179 HydrophobicContact CG1-CG 4.05Å; V175-L179 WeakPolarHBondContact O-CG 3.37Å; V175-L179 PolarHBondContact O-N 3.03Å |
| 176 | S | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.9 | -35.8 | -176.4 | -51.3 | 0 | 0 | 0 | 0 | 113.1 | A47 E50 A52 W53 A174 Y178 L179 V180 | A47-S176 PolarHBondContact O-OG 3.14Å; E50-S176 VanDerWaalsContact CB-OG 3.3Å; E50-S176 WeakPolarHBondContact CB-OG 3.49Å; E50-S176 PolarHBondContact O-OG 3.13Å; A52-S176 VanDerWaalsContact O-CB 3.25Å; A52-S176 WeakPolarHBondContact O-CB 3.38Å; A52-S176 PolarHBondContact O-N 3.06Å; A52-S176 PolarHBondContact O-OG 3.07Å; W53-S176 VanDerWaalsContact CD1-CB 3.48Å; W53-S176 VanDerWaalsContact CE2-CB 3.45Å; W53-S176 VanDerWaalsContact NE1-CB 3.32Å; W53-S176 PolarHBondContact NE1-OG 3.49Å; A174-S176 VanDerWaalsContact C-N 3.28Å; A174-S176 PolarHBondContact O-N 2.94Å; S176-Y178 PolarHBondContact O-N 3.13Å; S176-L179 PolarHBondContact O-N 3.31Å; S176-V180 WeakPolarHBondContact O-CG2 3.42Å; S176-V180 PolarHBondContact O-N 2.94Å |
| 177 | F | 95.7 | Very high | 94.6 | Very high | 29 Ų | 29 | 42.9 Ų | 42.9 | 13% | 0.127 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61 | -46 | 174.5 | 174.1 | -90.9 | 0 | 0 | 0 | 111.3 | I144 F173 A174 V175 L179 V180 A181 | I144-F177 HydrophobicContact CB-CE2 4.29Å; I144-F177 HydrophobicContact CG1-CE2 4.25Å; I144-F177 HydrophobicContact CG2-CE2 3.77Å; I144-F177 HydrophobicContact CG2-CZ 3.9Å; F173-F177 HydrophobicContact CB-CB 3.94Å; F173-F177 HydrophobicContact CB-CD1 3.74Å; F173-F177 HydrophobicContact CB-CD2 4.39Å; F173-F177 HydrophobicContact CB-CE1 4.35Å; F173-F177 HydrophobicContact CB-CG 3.77Å; F173-F177 HydrophobicContact CD1-CB 4.23Å; F173-F177 HydrophobicContact CD1-CD1 4.36Å; F173-F177 AromaticContact CD1-CD2 3.54Å; F173-F177 HydrophobicContact CD1-CD2 3.54Å; F173-F177 AromaticContact CD1-CE2 3.89Å; F173-F177 HydrophobicContact CD1-CE2 3.89Å; F173-F177 AromaticContact CD1-CG 3.79Å; F173-F177 HydrophobicContact CD1-CG 3.79Å; F173-F177 HydrophobicContact CD1-CZ 4.45Å; F173-F177 HydrophobicContact CD2-CE1 4.37Å; F173-F177 HydrophobicContact CD2-CZ 4.35Å; F173-F177 HydrophobicContact CE1-CD2 4.03Å; F173-F177 HydrophobicContact CE1-CE2 4.02Å; F173-F177 HydrophobicContact CG-CB 4.4Å; F173-F177 AromaticContact CG-CD1 3.96Å; F173-F177 HydrophobicContact CG-CD1 3.96Å; F173-F177 AromaticContact CG-CD2 3.97Å; F173-F177 HydrophobicContact CG-CD2 3.97Å; F173-F177 HydrophobicContact CG-CE1 4.2Å; F173-F177 HydrophobicContact CG-CE2 4.18Å; F173-F177 AromaticContact CG-CG 3.85Å; F173-F177 HydrophobicContact CG-CG 3.85Å; F173-F177 HydrophobicContact CG-CZ 4.3Å; F173-F177 HydrophobicContact CZ-CE2 4.42Å; A174-F177 WeakPolarHBondContact O-CB 3.36Å; A174-F177 PolarHBondContact O-N 3.44Å; A174-F177 VanDerWaalsContact O-N 3.13Å; V175-F177 VanDerWaalsContact C-N 3.29Å; V175-F177 PolarHBondContact O-N 3.26Å; F177-L179 VanDerWaalsContact C-N 3.35Å; F177-V180 PolarHBondContact O-N 3.34Å; F177-A181 PolarHBondContact O-N 3.04Å |
| 178 | Y | 97 | Very high | 95.1 | Very high | 141 Ų | 141 | 45.6 Ų | 45.6 | 55% | 0.553 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -70.7 | -31.3 | 179 | -61.6 | -68.5 | 0 | 0 | 0 | 112.4 | F173 A174 V175 S176 A181 G182 | F173-Y178 HydrophobicContact CB-CE2 4.35Å; A174-Y178 VanDerWaalsContact O-CD2 3.22Å; A174-Y178 WeakPolarHBondContact O-CD2 3.3Å; V175-Y178 PolarHBondContact O-N 3.06Å; S176-Y178 PolarHBondContact O-N 3.13Å; Y178-A181 PolarHBondContact O-N 3.46Å; Y178-G182 PolarHBondContact O-N 3.27Å |
| 179 | L | 97.2 | Very high | 95.5 | Very high | 45 Ų | 45 | 43.2 Ų | 43.2 | 24% | 0.236 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.3 | -44.3 | 172.2 | -74 | 171.6 | 0 | 0 | 0 | 111.5 | A43 T46 A47 V175 S176 F177 G182 A183 | A43-L179 HydrophobicContact CB-CD2 4.49Å; T46-L179 WeakPolarHBondContact OG1-CD1 3.35Å; A47-L179 HydrophobicContact CB-CB 3.9Å; A47-L179 HydrophobicContact CB-CD1 4.37Å; V175-L179 HydrophobicContact CG1-CD1 3.88Å; V175-L179 HydrophobicContact CG1-CG 4.05Å; V175-L179 WeakPolarHBondContact O-CG 3.37Å; V175-L179 PolarHBondContact O-N 3.03Å; S176-L179 PolarHBondContact O-N 3.31Å; F177-L179 VanDerWaalsContact C-N 3.35Å; L179-G182 PolarHBondContact O-N 3.13Å; L179-A183 WeakPolarHBondContact O-CB 3.49Å; L179-A183 PolarHBondContact O-N 3.48Å |
| 180 | V | 97.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.3 | -42.6 | 174.7 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | L44 A47 W53 C140 V143 I144 S176 F177 G182 A183 G184 | L44-V180 HydrophobicContact CD2-CG2 4.38Å; A47-V180 HydrophobicContact CB-CG2 3.82Å; W53-V180 HydrophobicContact CH2-CG2 3.71Å; W53-V180 HydrophobicContact CZ3-CG2 4.19Å; C140-V180 HydrophobicContact CB-CG1 4.04Å; V143-V180 HydrophobicContact CB-CG1 4.12Å; V143-V180 HydrophobicContact CG1-CB 4.49Å; V143-V180 HydrophobicContact CG1-CG1 3.82Å; V143-V180 HydrophobicContact CG1-CG2 4.17Å; I144-V180 HydrophobicContact CG1-CG1 4.32Å; S176-V180 WeakPolarHBondContact O-CG2 3.42Å; S176-V180 PolarHBondContact O-N 2.94Å; F177-V180 PolarHBondContact O-N 3.34Å; V180-G182 PolarHBondContact O-N 3.09Å; V180-A183 WeakPolarHBondContact O-CB 2.97Å; V180-A183 PolarHBondContact O-N 2.81Å; V180-G184 PolarHBondContact O-N 3.45Å |
| 181 | A | 97.5 | Very high | 95.4 | Very high | 40 Ų | 40 | 37.8 Ų | 37.8 | 33% | 0.331 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.4 | -42.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | I144 F177 Y178 G184 G185 | I144-A181 HydrophobicContact CD1-CB 4.05Å; F177-A181 PolarHBondContact O-N 3.04Å; Y178-A181 PolarHBondContact O-N 3.46Å; A181-G184 PolarHBondContact O-N 2.82Å; A181-G185 PolarHBondContact O-N 3.44Å |
| 182 | G | 97.2 | Very high | 95.2 | Very high | 42 Ų | 42 | 38.5 Ų | 38.5 | 43% | 0.433 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.5 | -39.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y178 L179 V180 G185 A186 | Y178-G182 PolarHBondContact O-N 3.27Å; L179-G182 PolarHBondContact O-N 3.13Å; V180-G182 PolarHBondContact O-N 3.09Å; G182-G185 PolarHBondContact O-N 3.16Å; G182-A186 WeakPolarHBondContact O-CB 3.49Å; G182-A186 PolarHBondContact O-N 2.89Å |
| 183 | A | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.1 | -43.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S40 A43 L44 L179 V180 G185 A186 S187 | S40-A183 PolarHBondContact OG-O 3.44Å; A43-A183 HydrophobicContact CB-CB 3.87Å; L44-A183 HydrophobicContact CD2-CB 3.96Å; L44-A183 HydrophobicContact CG-CB 3.77Å; L179-A183 WeakPolarHBondContact O-CB 3.49Å; L179-A183 PolarHBondContact O-N 3.48Å; V180-A183 WeakPolarHBondContact O-CB 2.97Å; V180-A183 PolarHBondContact O-N 2.81Å; A183-G185 PolarHBondContact O-N 3.21Å; A183-A186 PolarHBondContact O-N 3.16Å; A183-S187 WeakPolarHBondContact O-CB 3.42Å; A183-S187 PolarHBondContact O-N 2.69Å; A183-S187 PolarHBondContact O-OG 3.01Å |
| 184 | G | 97.3 | Very high | 94.2 | Very high | 7 Ų | 7 | 34.9 Ų | 34.9 | 7% | 0.072 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.9 | -48.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V180 A181 A186 S187 I188 | V180-G184 PolarHBondContact O-N 3.45Å; A181-G184 PolarHBondContact O-N 2.82Å; G184-A186 PolarHBondContact O-N 3.43Å; G184-S187 WeakPolarHBondContact O-CB 3.32Å; G184-S187 PolarHBondContact O-N 3.3Å; G184-I188 WeakPolarHBondContact O-CG1 3.37Å; G184-I188 PolarHBondContact O-N 3.15Å |
| 185 | G | 97.4 | Very high | 93.5 | Very high | 32 Ų | 32 | 39.6 Ų | 39.6 | 33% | 0.33 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.2 | -45.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A181 G182 A183 S187 I188 L189 | A181-G185 PolarHBondContact O-N 3.44Å; G182-G185 PolarHBondContact O-N 3.16Å; A183-G185 PolarHBondContact O-N 3.21Å; G185-S187 VanDerWaalsContact C-N 3.29Å; G185-S187 PolarHBondContact O-N 2.94Å; G185-I188 WeakPolarHBondContact O-CB 3.21Å; G185-I188 PolarHBondContact O-N 2.95Å; G185-L189 PolarHBondContact O-N 2.86Å |
| 186 | A | 95.8 | Very high | 92.7 | Very high | 14 Ų | 14 | 42.6 Ų | 42.6 | 12% | 0.116 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.9 | -36.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P36 L39 G182 A183 G184 L189 A190 | P36-A186 VanDerWaalsContact CB-O 3.26Å; P36-A186 WeakPolarHBondContact CB-O 3.5Å; L39-A186 HydrophobicContact CB-CB 4.42Å; G182-A186 WeakPolarHBondContact O-CB 3.49Å; G182-A186 PolarHBondContact O-N 2.89Å; A183-A186 PolarHBondContact O-N 3.16Å; G184-A186 PolarHBondContact O-N 3.43Å; A186-L189 PolarHBondContact O-N 3.48Å; A186-A190 PolarHBondContact O-N 3.17Å |
| 187 | S | 95.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.7 | -34.2 | 175.6 | -54.7 | 0 | 0 | 0 | 0 | 112.2 | S40 T136 A183 G184 G185 A190 T191 | S40-S187 WeakPolarHBondContact CB-OG 3.49Å; S40-S187 PolarHBondContact OG-OG 2.93Å; T136-S187 WeakPolarHBondContact CG2-OG 3.47Å; A183-S187 WeakPolarHBondContact O-CB 3.42Å; A183-S187 PolarHBondContact O-N 2.69Å; A183-S187 PolarHBondContact O-OG 3.01Å; G184-S187 WeakPolarHBondContact O-CB 3.32Å; G184-S187 PolarHBondContact O-N 3.3Å; G185-S187 VanDerWaalsContact C-N 3.29Å; G185-S187 PolarHBondContact O-N 2.94Å; S187-A190 PolarHBondContact O-N 2.96Å; S187-T191 WeakPolarHBondContact O-CB 3.49Å; S187-T191 PolarHBondContact O-N 2.91Å; S187-T191 PolarHBondContact O-OG1 3.2Å |
| 188 | I | 95.4 | Very high | 89.7 | Confident | 95 Ų | 95 | 51.9 Ų | 51.9 | 49% | 0.487 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.7 | -45.1 | 170.9 | -66.1 | 167.8 | 0 | 0 | 0 | 110 | V137 G184 G185 A190 T191 A192 | V137-I188 HydrophobicContact CB-CG1 4.47Å; V137-I188 HydrophobicContact CG1-CD1 4.17Å; V137-I188 HydrophobicContact CG1-CG1 3.95Å; V137-I188 HydrophobicContact CG2-CG1 3.61Å; G184-I188 WeakPolarHBondContact O-CG1 3.37Å; G184-I188 PolarHBondContact O-N 3.15Å; G185-I188 WeakPolarHBondContact O-CB 3.21Å; G185-I188 PolarHBondContact O-N 2.95Å; I188-A190 VanDerWaalsContact C-N 3.33Å; I188-A190 PolarHBondContact O-N 3.08Å; I188-T191 WeakPolarHBondContact O-CB 3.46Å; I188-T191 PolarHBondContact O-N 3.42Å; I188-A192 PolarHBondContact O-N 3.15Å |
| 189 | L | 93 | Very high | 87.9 | Confident | 113 Ų | 113 | 46.8 Ų | 46.8 | 59% | 0.592 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -62.7 | -40.4 | 176.1 | -67 | 175.4 | 0 | 0 | 0 | 111.9 | P36 G185 A186 T191 A192 A193 | P36-L189 HydrophobicContact CB-CB 4.18Å; P36-L189 HydrophobicContact CG-CB 4.33Å; G185-L189 PolarHBondContact O-N 2.86Å; A186-L189 PolarHBondContact O-N 3.48Å; L189-T191 VanDerWaalsContact C-N 3.31Å; L189-T191 PolarHBondContact O-N 2.85Å; L189-A192 PolarHBondContact O-N 2.8Å; L189-A193 VanDerWaalsContact O-CB 3.32Å; L189-A193 WeakPolarHBondContact O-CB 3.48Å; L189-A193 PolarHBondContact O-N 2.96Å |
| 190 | A | 90.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | P36 A186 S187 I188 A193 N194 | P36-A190 HydrophobicContact CB-CB 4.05Å; A186-A190 PolarHBondContact O-N 3.17Å; S187-A190 PolarHBondContact O-N 2.96Å; I188-A190 VanDerWaalsContact C-N 3.33Å; I188-A190 PolarHBondContact O-N 3.08Å; A190-A193 PolarHBondContact O-N 2.93Å; A190-N194 WeakPolarHBondContact O-CB 3.5Å; A190-N194 PolarHBondContact O-N 3.4Å |
| 191 | T | 89.9 | Confident | 83.8 | Confident | 16 Ų | 16 | 49 Ų | 49 | 10% | 0.098 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62 | -49.8 | 176 | -55.8 | 0 | 0 | 0 | 0 | 110.6 | A130 H133 I134 S187 I188 L189 A193 N194 L195 | A130-T191 HydrophobicContact CB-CG2 3.97Å; H133-T191 WeakPolarHBondContact CB-OG1 3.08Å; I134-T191 HydrophobicContact CD1-CG2 4.35Å; I134-T191 HydrophobicContact CG1-CG2 3.84Å; S187-T191 WeakPolarHBondContact O-CB 3.49Å; S187-T191 PolarHBondContact O-N 2.91Å; S187-T191 PolarHBondContact O-OG1 3.2Å; I188-T191 WeakPolarHBondContact O-CB 3.46Å; I188-T191 PolarHBondContact O-N 3.42Å; L189-T191 VanDerWaalsContact C-N 3.31Å; L189-T191 PolarHBondContact O-N 2.85Å; T191-A193 PolarHBondContact O-N 3.42Å; T191-N194 PolarHBondContact O-N 3.14Å; T191-N194 VanDerWaalsContact O-N 3.14Å; T191-L195 HydrophobicContact CG2-CD1 3.8Å; T191-L195 HydrophobicContact CG2-CG 4.23Å; T191-L195 WeakPolarHBondContact O-CB 3.48Å; T191-L195 WeakPolarHBondContact O-CG 3.14Å; T191-L195 PolarHBondContact O-N 3.39Å |
| 192 | A | 89 | Confident | 82 | Confident | 42 Ų | 42 | 53.2 Ų | 53.2 | 35% | 0.347 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I188 L189 N194 L195 L196 | I188-A192 PolarHBondContact O-N 3.15Å; L189-A192 PolarHBondContact O-N 2.8Å; A192-N194 VanDerWaalsContact C-N 3.27Å; A192-N194 PolarHBondContact O-N 3.3Å; A192-L195 PolarHBondContact O-N 3.35Å; A192-L196 VanDerWaalsContact O-CB 3.27Å; A192-L196 WeakPolarHBondContact O-CB 3.22Å; A192-L196 WeakPolarHBondContact O-CG 3.34Å; A192-L196 PolarHBondContact O-N 3.37Å |
| 193 | A | 85.2 | Confident | 79.9 | Confident | 24 Ų | 24 | 58.7 Ų | 58.7 | 20% | 0.198 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.5 | -33.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L189 A190 T191 R197 | L189-A193 VanDerWaalsContact O-CB 3.32Å; L189-A193 WeakPolarHBondContact O-CB 3.48Å; L189-A193 PolarHBondContact O-N 2.96Å; A190-A193 PolarHBondContact O-N 2.93Å; T191-A193 PolarHBondContact O-N 3.42Å; A193-R197 WeakPolarHBondContact O-CG 3.26Å |
| 194 | N | 83.3 | Confident | 78.1 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.011 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -76.4 | -40 | 175.9 | -83.3 | -22.3 | 0 | 0 | 0 | 112.7 | S33 D114 A130 A190 T191 A192 R197 Y199 | S33-N194 WeakPolarHBondContact CB-OD1 3.39Å; S33-N194 PolarHBondContact OG-OD1 3.36Å; D114-N194 PolarHBondContact OD1-ND2 3.37Å; D114-N194 VanDerWaalsContact OD1-ND2 3.1Å; D114-N194 PolarHBondContact OD1-OD1 2.95Å; D114-N194 PolarHBondContact OD2-ND2 3.33Å; A130-N194 HydrophobicContact CB-CB 3.98Å; A190-N194 WeakPolarHBondContact O-CB 3.5Å; A190-N194 PolarHBondContact O-N 3.4Å; T191-N194 PolarHBondContact O-N 3.14Å; T191-N194 VanDerWaalsContact O-N 3.14Å; A192-N194 VanDerWaalsContact C-N 3.27Å; A192-N194 PolarHBondContact O-N 3.3Å; N194-R197 PolarHBondContact OD1-NH1 2.99Å; N194-Y199 WeakPolarHBondContact O-CE2 3.39Å |
| 195 | L | 82.2 | Confident | 76.4 | Confident | 102 Ų | 102 | 65 Ų | 65 | 53% | 0.534 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -74.9 | -31.4 | 180 | -67.8 | 177.3 | 0 | 0 | 0 | 113.3 | T191 A192 R197 | T191-L195 HydrophobicContact CG2-CD1 3.8Å; T191-L195 HydrophobicContact CG2-CG 4.23Å; T191-L195 WeakPolarHBondContact O-CB 3.48Å; T191-L195 WeakPolarHBondContact O-CG 3.14Å; T191-L195 PolarHBondContact O-N 3.39Å; A192-L195 PolarHBondContact O-N 3.35Å; L195-R197 PolarHBondContact O-N 2.92Å |
| 196 | L | 78.2 | Confident | 74.9 | Confident | 149 Ų | 149 | 69.5 Ų | 69.5 | 78% | 0.78 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -10.9 | 177.4 | -69.4 | 172.6 | 0 | 0 | 0 | 113.1 | A192 H198 | A192-L196 VanDerWaalsContact O-CB 3.27Å; A192-L196 WeakPolarHBondContact O-CB 3.22Å; A192-L196 WeakPolarHBondContact O-CG 3.34Å; A192-L196 PolarHBondContact O-N 3.37Å; L196-H198 PolarHBondContact O-N 3.37Å |
| 197 | R | 68.9 | Low | 73.6 | Confident | 67 Ų | 67 | 70.9 Ų | 70.9 | 25% | 0.253 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -73.4 | 121.7 | 170.3 | -74.6 | -171.1 | -162.6 | 120.2 | 7.7 | 109.1 | S30 S33 A193 N194 L195 Y199 | S30-R197 VanDerWaalsContact C-NH2 3.34Å; S30-R197 VanDerWaalsContact CA-NH2 3.26Å; S30-R197 PolarHBondContact O-NH2 2.87Å; S33-R197 PolarHBondContact OG-NH1 2.88Å; S33-R197 PolarHBondContact OG-NH2 2.8Å; S33-R197 VanDerWaalsContact OG-NH2 3.11Å; A193-R197 WeakPolarHBondContact O-CG 3.26Å; N194-R197 PolarHBondContact OD1-NH1 2.99Å; L195-R197 PolarHBondContact O-N 2.92Å; R197-Y199 VanDerWaalsContact C-N 3.33Å; R197-Y199 HydrophobicContact CB-CD2 4.41Å; R197-Y199 HydrophobicContact CB-CE2 4.02Å; R197-Y199 WeakPolarHBondContact O-CD2 2.96Å; R197-Y199 PolarHBondContact O-N 3.19Å |
| 198 | H | 58.9 | Low | 72.6 | Confident | 158 Ų | 158 | 75.7 Ų | 75.7 | 73% | 0.731 | 39% | 0.391 | S | S | * | . | trans | -66 | 98.1 | 167.8 | -156.4 | -25.1 | 0 | 0 | 0 | 107.8 | L196 E204 | L196-H198 PolarHBondContact O-N 3.37Å; H198-E204 IonicContact CE1-OE2 3.93Å | ||
| 199 | Y | 59.3 | Low | 71.7 | Confident | 34 Ų | 34 | 76.9 Ų | 76.9 | 13% | 0.133 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 123.8 | 163.8 | -70.3 | -77.1 | 0 | 0 | 0 | 106.4 | R128 N194 R197 T201 | R128-Y199 HydrophobicContact CG-CD1 4.28Å; R128-Y199 HydrophobicContact CG-CD2 4.06Å; R128-Y199 HydrophobicContact CG-CE2 4.47Å; R128-Y199 HydrophobicContact CG-CG 3.94Å; N194-Y199 WeakPolarHBondContact O-CE2 3.39Å; R197-Y199 VanDerWaalsContact C-N 3.33Å; R197-Y199 HydrophobicContact CB-CD2 4.41Å; R197-Y199 HydrophobicContact CB-CE2 4.02Å; R197-Y199 WeakPolarHBondContact O-CD2 2.96Å; R197-Y199 PolarHBondContact O-N 3.19Å; Y199-T201 PolarHBondContact O-N 2.83Å |
| 200 | P | 53.9 | Low | 70.9 | Confident | 28 Ų | 28 | 76.1 Ų | 76.1 | 18% | 0.182 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 131.8 | 168.6 | 21.7 | -29.5 | 0 | 0 | 0 | 107.9 | R128 E204 E205 L208 | R128-P200 PolarHBondContact NH2-O 3.06Å; P200-E204 WeakPolarHBondContact CA-OE2 3.32Å; P200-E204 HydrophobicContact CB-CB 3.75Å; P200-E205 HydrophobicContact CB-CG 4Å; P200-E205 HydrophobicContact CG-CG 3.76Å; P200-L208 HydrophobicContact CB-CD1 4.19Å |
| 201 | T | 54.7 | Low | 70.1 | Confident | 65 Ų | 65 | 81.2 Ų | 81.2 | 40% | 0.399 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 162.7 | 176.5 | 63.4 | 0 | 0 | 0 | 0 | 110.1 | Y199 E203 E204 E205 | Y199-T201 PolarHBondContact O-N 2.83Å; T201-E203 PolarHBondContact O-N 3.49Å; T201-E203 VanDerWaalsContact O-N 3.16Å; T201-E204 PolarHBondContact N-OE2 3.11Å; T201-E204 PolarHBondContact O-N 3Å; T201-E204 WeakPolarHBondContact OG1-CG 3.48Å; T201-E204 PolarHBondContact OG1-N 3.05Å; T201-E204 VanDerWaalsContact OG1-N 3.13Å; T201-E205 PolarHBondContact O-N 3.12Å |
| 202 | E | 59 | Low | 69.6 | Low | 127 Ų | 127 | 83 Ų | 83 | 59% | 0.593 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -56.7 | -32.6 | 176.8 | -63.7 | -174.6 | 136.8 | 0 | 0 | 111.1 | Q206 | E202-Q206 VanDerWaalsContact O-CB 3.3Å; E202-Q206 WeakPolarHBondContact O-CB 3.3Å; E202-Q206 PolarHBondContact O-N 3.31Å |
| 203 | E | 53.8 | Low | 69 | Low | 158 Ų | 158 | 85.5 Ų | 85.5 | 74% | 0.738 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -66.3 | -43 | 173 | -57.2 | 179 | 170.1 | 0 | 0 | 112.4 | T201 Q206 A207 | T201-E203 PolarHBondContact O-N 3.49Å; T201-E203 VanDerWaalsContact O-N 3.16Å; E203-Q206 PolarHBondContact O-N 2.65Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.48Å; E203-A207 PolarHBondContact O-N 2.94Å |
| 204 | E | 58.3 | Low | 68.4 | Low | 80 Ų | 80 | 90.3 Ų | 90.3 | 37% | 0.374 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -70.6 | -36.2 | 175.9 | -73.4 | 176.2 | 144.8 | 0 | 0 | 112.4 | H198 P200 T201 Q206 A207 L208 | H198-E204 IonicContact CE1-OE2 3.93Å; P200-E204 WeakPolarHBondContact CA-OE2 3.32Å; P200-E204 HydrophobicContact CB-CB 3.75Å; T201-E204 PolarHBondContact N-OE2 3.11Å; T201-E204 PolarHBondContact O-N 3Å; T201-E204 WeakPolarHBondContact OG1-CG 3.48Å; T201-E204 PolarHBondContact OG1-N 3.05Å; T201-E204 VanDerWaalsContact OG1-N 3.13Å; E204-Q206 VanDerWaalsContact C-N 3.31Å; E204-A207 PolarHBondContact O-N 3.5Å; E204-L208 VanDerWaalsContact O-CB 3.25Å; E204-L208 WeakPolarHBondContact O-CB 2.99Å; E204-L208 WeakPolarHBondContact O-CD1 3.34Å; E204-L208 VanDerWaalsContact O-CG 3.23Å; E204-L208 WeakPolarHBondContact O-CG 3.5Å; E204-L208 PolarHBondContact O-N 2.86Å |
| 205 | E | 62.1 | Low | 67.9 | Low | 59 Ų | 59 | 97.7 Ų | 97.7 | 28% | 0.276 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 172.4 | -73.9 | -176.1 | 175.8 | 0 | 0 | 110.4 | K124 R128 P200 T201 L208 E209 | K124-E205 WeakPolarHBondContact CE-OE1 3.28Å; K124-E205 IonicContact NZ-OE1 3Å; K124-E205 PolarHBondContact NZ-OE1 3.4Å; K124-E205 IonicContact NZ-OE2 3.87Å; K124-E205 PolarHBondContact NZ-OE2 3.03Å; R128-E205 IonicContact NH2-OE1 3.53Å; R128-E205 PolarHBondContact NH2-OE1 3.11Å; R128-E205 IonicContact NH2-OE2 2.72Å; P200-E205 HydrophobicContact CB-CG 4Å; P200-E205 HydrophobicContact CG-CG 3.76Å; T201-E205 PolarHBondContact O-N 3.12Å; E205-L208 PolarHBondContact O-N 2.89Å; E205-E209 WeakPolarHBondContact O-CB 3.49Å; E205-E209 PolarHBondContact O-N 3.3Å |
| 206 | Q | 65.3 | Low | 67.3 | Low | 126 Ų | 126 | 101.1 Ų | 101.1 | 59% | 0.589 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.1 | -36.7 | 177 | -161.1 | 169.4 | 2.4 | 0 | 0 | 111.7 | E202 E203 E204 E209 L210 | E202-Q206 VanDerWaalsContact O-CB 3.3Å; E202-Q206 WeakPolarHBondContact O-CB 3.3Å; E202-Q206 PolarHBondContact O-N 3.31Å; E203-Q206 PolarHBondContact O-N 2.65Å; E204-Q206 VanDerWaalsContact C-N 3.31Å; Q206-E209 PolarHBondContact O-N 3.43Å; Q206-L210 WeakPolarHBondContact O-CB 3.46Å; Q206-L210 VanDerWaalsContact O-CG 3.25Å; Q206-L210 WeakPolarHBondContact O-CG 3.47Å; Q206-L210 PolarHBondContact O-N 2.02Å |
| 207 | A | 69.2 | Low | 66.6 | Low | 44 Ų | 44 | 100.2 Ų | 100.2 | 36% | 0.364 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.7 | -40.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E203 E204 L210 L211 | E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.48Å; E203-A207 PolarHBondContact O-N 2.94Å; E204-A207 PolarHBondContact O-N 3.5Å; A207-L210 PolarHBondContact O-N 3.28Å; A207-L211 VanDerWaalsContact O-CB 3.29Å; A207-L211 WeakPolarHBondContact O-CB 3.33Å; A207-L211 WeakPolarHBondContact O-CG 3.26Å; A207-L211 PolarHBondContact O-N 3.04Å |
| 208 | L | 74.1 | Confident | 65.8 | Low | 101 Ų | 101 | 103.4 Ų | 103.4 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.9 | -39.1 | 174.8 | -79.5 | 163.3 | 0 | 0 | 0 | 111.4 | P200 E204 E205 L211 S212 | P200-L208 HydrophobicContact CB-CD1 4.19Å; E204-L208 VanDerWaalsContact O-CB 3.25Å; E204-L208 WeakPolarHBondContact O-CB 2.99Å; E204-L208 WeakPolarHBondContact O-CD1 3.34Å; E204-L208 VanDerWaalsContact O-CG 3.23Å; E204-L208 WeakPolarHBondContact O-CG 3.5Å; E204-L208 PolarHBondContact O-N 2.86Å; E205-L208 PolarHBondContact O-N 2.89Å; L208-L211 PolarHBondContact O-N 3.38Å; L208-S212 VanDerWaalsContact O-CB 3.28Å; L208-S212 WeakPolarHBondContact O-CB 3.38Å; L208-S212 PolarHBondContact O-N 2.89Å; L208-S212 PolarHBondContact O-OG 3.5Å |
| 209 | E | 76 | Confident | 65.6 | Low | 120 Ų | 120 | 100.9 Ų | 100.9 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63 | -50.1 | 174.1 | -169.4 | 165.4 | -152 | 0 | 0 | 110.2 | E205 Q206 L211 S212 E213 | E205-E209 WeakPolarHBondContact O-CB 3.49Å; E205-E209 PolarHBondContact O-N 3.3Å; Q206-E209 PolarHBondContact O-N 3.43Å; E209-L211 PolarHBondContact O-N 3.29Å; E209-S212 WeakPolarHBondContact CA-OG 3.39Å; E209-S212 PolarHBondContact O-N 3.17Å; E209-S212 VanDerWaalsContact O-N 3.15Å; E209-S212 PolarHBondContact O-OG 3.46Å; E209-E213 WeakPolarHBondContact O-CG 3.41Å; E209-E213 PolarHBondContact O-N 2.75Å |
| 210 | L | 75.9 | Confident | 65.2 | Low | 97 Ų | 97 | 109 Ų | 109 | 51% | 0.508 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.1 | -42.4 | 174.9 | -73.2 | 166.7 | 0 | 0 | 0 | 113 | Q206 A207 E213 M214 | Q206-L210 WeakPolarHBondContact O-CB 3.46Å; Q206-L210 VanDerWaalsContact O-CG 3.25Å; Q206-L210 WeakPolarHBondContact O-CG 3.47Å; Q206-L210 PolarHBondContact O-N 2.02Å; A207-L210 PolarHBondContact O-N 3.28Å; L210-E213 PolarHBondContact O-N 2.89Å; L210-M214 WeakPolarHBondContact O-CB 3.36Å; L210-M214 WeakPolarHBondContact O-CG 3.43Å; L210-M214 PolarHBondContact O-N 2.77Å |
| 211 | L | 75.7 | Confident | 65 | Low | 106 Ų | 106 | 111.3 Ų | 111.3 | 56% | 0.555 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.6 | -41.1 | 176 | -76 | 171 | 0 | 0 | 0 | 111.2 | A207 L208 E209 M214 E215 | A207-L211 VanDerWaalsContact O-CB 3.29Å; A207-L211 WeakPolarHBondContact O-CB 3.33Å; A207-L211 WeakPolarHBondContact O-CG 3.26Å; A207-L211 PolarHBondContact O-N 3.04Å; L208-L211 PolarHBondContact O-N 3.38Å; E209-L211 PolarHBondContact O-N 3.29Å; L211-M214 PolarHBondContact O-N 3.13Å; L211-E215 WeakPolarHBondContact O-CB 3.19Å; L211-E215 PolarHBondContact O-N 3.29Å |
| 212 | S | 79.1 | Confident | 64.9 | Low | 53 Ų | 53 | 111.5 Ų | 111.5 | 37% | 0.371 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.4 | -36.6 | 176.6 | 71.6 | 0 | 0 | 0 | 0 | 112.2 | L208 E209 E215 E216 | L208-S212 VanDerWaalsContact O-CB 3.28Å; L208-S212 WeakPolarHBondContact O-CB 3.38Å; L208-S212 PolarHBondContact O-N 2.89Å; L208-S212 PolarHBondContact O-OG 3.5Å; E209-S212 WeakPolarHBondContact CA-OG 3.39Å; E209-S212 PolarHBondContact O-N 3.17Å; E209-S212 VanDerWaalsContact O-N 3.15Å; E209-S212 PolarHBondContact O-OG 3.46Å; S212-E215 PolarHBondContact O-N 2.85Å; S212-E216 WeakPolarHBondContact O-CB 3.47Å; S212-E216 PolarHBondContact O-N 3.25Å |
| 213 | E | 75.5 | Confident | 64.4 | Low | 95 Ų | 95 | 112.6 Ų | 112.6 | 44% | 0.444 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.2 | -36.6 | 173 | -72.4 | -178.4 | 166.6 | 0 | 0 | 111.5 | E209 L210 N217 | E209-E213 WeakPolarHBondContact O-CG 3.41Å; E209-E213 PolarHBondContact O-N 2.75Å; L210-E213 PolarHBondContact O-N 2.89Å; E213-N217 VanDerWaalsContact O-CB 3.25Å; E213-N217 WeakPolarHBondContact O-CB 3.45Å; E213-N217 VanDerWaalsContact O-CG 3.24Å; E213-N217 PolarHBondContact O-N 3.41Å; E213-N217 VanDerWaalsContact O-N 3.09Å; E213-N217 PolarHBondContact O-ND2 3.08Å |
| 214 | M | 71.9 | Confident | 64.2 | Low | 125 Ų | 125 | 113.2 Ų | 113.2 | 62% | 0.616 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68 | -42.9 | 172.9 | -76.2 | -179.3 | 63.3 | 0 | 0 | 111.8 | L210 L211 N217 E218 | L210-M214 WeakPolarHBondContact O-CB 3.36Å; L210-M214 WeakPolarHBondContact O-CG 3.43Å; L210-M214 PolarHBondContact O-N 2.77Å; L211-M214 PolarHBondContact O-N 3.13Å; M214-N217 CarbonylContact O-C 3.26Å; M214-N217 PolarHBondContact O-N 3.18Å; M214-N217 VanDerWaalsContact O-N 3.15Å; M214-E218 PolarHBondContact O-N 3.19Å |
| 215 | E | 74.5 | Confident | 63.8 | Low | 158 Ų | 158 | 116.1 Ų | 116.1 | 74% | 0.738 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65 | -39.4 | 177.4 | -172.5 | 176.9 | -176.6 | 0 | 0 | 111.7 | L211 S212 N217 | L211-E215 WeakPolarHBondContact O-CB 3.19Å; L211-E215 PolarHBondContact O-N 3.29Å; S212-E215 PolarHBondContact O-N 2.85Å; E215-N217 VanDerWaalsContact C-N 3.28Å; E215-N217 PolarHBondContact O-N 3.41Å |
| 216 | E | 68.2 | Low | 63.3 | Low | 173 Ų | 173 | 118.6 Ų | 118.6 | 81% | 0.808 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.5 | -28 | 172.4 | -81.4 | -167.6 | 150.9 | 0 | 0 | 112.9 | S212 | S212-E216 WeakPolarHBondContact O-CB 3.47Å; S212-E216 PolarHBondContact O-N 3.25Å |
| 217 | N | 64 | Low | 62.6 | Low | 130 Ų | 130 | 119.5 Ų | 119.5 | 70% | 0.695 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -90.8 | -17.7 | -178.8 | -78.7 | -42.8 | 0 | 0 | 0 | 114.6 | E213 M214 E215 P219 | E213-N217 VanDerWaalsContact O-CB 3.25Å; E213-N217 WeakPolarHBondContact O-CB 3.45Å; E213-N217 VanDerWaalsContact O-CG 3.24Å; E213-N217 PolarHBondContact O-N 3.41Å; E213-N217 VanDerWaalsContact O-N 3.09Å; E213-N217 PolarHBondContact O-ND2 3.08Å; M214-N217 CarbonylContact O-C 3.26Å; M214-N217 PolarHBondContact O-N 3.18Å; M214-N217 VanDerWaalsContact O-N 3.15Å; E215-N217 VanDerWaalsContact C-N 3.28Å; E215-N217 PolarHBondContact O-N 3.41Å; N217-P219 WeakPolarHBondContact O-CD 3.31Å |
| 218 | E | 53.1 | Low | 61.6 | Low | 135 Ų | 135 | 124.7 Ų | 124.7 | 63% | 0.631 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -71.2 | 107.2 | 174.8 | -94.8 | -77.2 | 127.3 | 0 | 0 | 109.8 | M214 Y220 | M214-E218 PolarHBondContact O-N 3.19Å; E218-Y220 PolarHBondContact O-N 3.44Å |
| 219 | P | 54.2 | Low | 60.6 | Low | 105 Ų | 105 | 126.9 Ų | 126.9 | 68% | 0.682 | 64% | 0.639 | S | S | * | * | trans | -71.9 | 107 | 175.6 | 29.6 | -27.5 | 0 | 0 | 0 | 108.2 | N217 P221 | N217-P219 WeakPolarHBondContact O-CD 3.31Å; P219-P221 VanDerWaalsContact O-N 3.08Å | ||
| 220 | Y | 50.8 | Low | 59.4 | Low | 204 Ų | 204 | 129.2 Ų | 129.2 | 80% | 0.8 | 65% | 0.648 | S | S | * | * | trans | -37.4 | 114.4 | 177.6 | -136.9 | -92.4 | 0 | 0 | 0 | 111.5 | E218 A222 | E218-Y220 PolarHBondContact O-N 3.44Å; Y220-A222 PolarHBondContact O-N 3.41Å; Y220-A222 VanDerWaalsContact O-N 3.12Å | ||
| 221 | P | 48.9 | Very low | 58.2 | Low | 76 Ų | 76 | 133.7 Ų | 133.7 | 49% | 0.494 | 67% | 0.666 | S | S | . | * | trans | -67.8 | 117.5 | -174.4 | 23.1 | -30.4 | 0 | 0 | 0 | 109.5 | P219 E223 | P219-P221 VanDerWaalsContact O-N 3.08Å; P221-E223 HydrophobicContact CB-CG 4.28Å; P221-E223 PolarHBondContact O-N 3.25Å | ||
| 222 | A | 52.8 | Low | 57.4 | Low | 69 Ų | 69 | 134.2 Ų | 134.2 | 57% | 0.57 | 68% | 0.676 | S | S | * | * | trans | -70 | 38.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y220 Y224 | Y220-A222 PolarHBondContact O-N 3.41Å; Y220-A222 VanDerWaalsContact O-N 3.12Å; A222-Y224 VanDerWaalsContact C-N 3.32Å; A222-Y224 PolarHBondContact O-N 3.47Å | ||
| 223 | E | 48 | Very low | 56.4 | Low | 150 Ų | 150 | 137.3 Ų | 137.3 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -77.9 | -13.5 | -173.6 | -81.5 | -170.1 | 152 | 0 | 0 | 113.7 | P221 | P221-E223 HydrophobicContact CB-CG 4.28Å; P221-E223 PolarHBondContact O-N 3.25Å |
| 224 | Y | 50.2 | Low | 56 | Low | 172 Ų | 172 | 138.2 Ų | 138.2 | 68% | 0.675 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -85.8 | -13 | 177.6 | 62.3 | -91.8 | 0 | 0 | 0 | 114.7 | A222 | A222-Y224 VanDerWaalsContact C-N 3.32Å; A222-Y224 PolarHBondContact O-N 3.47Å |
| 225 | E | 49.8 | Very low | 56 | Low | 140 Ų | 140 | 136.7 Ų | 136.7 | 65% | 0.654 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -96.3 | -21.1 | -179.3 | -72.3 | -164.2 | 158.3 | 0 | 0 | 114.6 | ||
| 226 | V | 53.1 | Low | 55.1 | Low | 111 Ų | 111 | 140.2 Ų | 140.2 | 67% | 0.673 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -91.5 | -29.9 | -170.2 | -179 | 0 | 0 | 0 | 0 | 114 | ||
| 227 | I | 49.4 | Very low | 54.2 | Low | 145 Ų | 145 | 138 Ų | 138 | 74% | 0.744 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -16.4 | -169.9 | -62.4 | 172.1 | 0 | 0 | 0 | 112.7 | Q229 | I227-Q229 VanDerWaalsContact C-N 3.34Å; I227-Q229 PolarHBondContact O-N 3.05Å |
| 228 | N | 48.7 | Very low | 54.1 | Low | 154 Ų | 154 | 141.4 Ų | 141.4 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 7.7 | -174.6 | -125.3 | -7.1 | 0 | 0 | 0 | 115.4 | ||
| 229 | Q | 52 | Low | 54.2 | Low | 146 Ų | 146 | 141.8 Ų | 141.8 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -119.5 | -8.6 | -172.5 | -80 | -167.3 | -14.1 | 0 | 0 | 118.2 | I227 | I227-Q229 VanDerWaalsContact C-N 3.34Å; I227-Q229 PolarHBondContact O-N 3.05Å |
| 230 | F | 52.3 | Low | 54.2 | Low | 170 Ų | 170 | 143.7 Ų | 143.7 | 75% | 0.746 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -139.5 | 36.2 | -165.6 | -72.7 | -73.3 | 0 | 0 | 0 | 118.3 | ||
| 231 | Q | 50.1 | Low | 54.4 | Low | 191 Ų | 191 | 140.3 Ų | 140.3 | 89% | 0.893 | 76% | 0.76 | S | S | * | * | trans | -148.7 | 91 | 160.7 | -118.9 | 167.9 | -9.1 | 0 | 0 | 114.2 | ||||
| 232 | P | 58.2 | Low | 54.7 | Low | 116 Ų | 116 | 144.1 Ų | 144.1 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 142.4 | 161.5 | 27.9 | -30.9 | 0 | 0 | 0 | 110.2 | ||
| 233 | P | 59.7 | Low | 54.8 | Low | 119 Ų | 119 | 148.8 Ų | 148.8 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 149.4 | -173.8 | 26.4 | -33.6 | 0 | 0 | 0 | 112.5 | ||
| 234 | P | 66.7 | Low | 55.3 | Low | 114 Ų | 114 | 148.7 Ų | 148.7 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 135.9 | -176.4 | 23.8 | -32.7 | 0 | 0 | 0 | 111.9 | Y236 | P234-Y236 PolarHBondContact O-N 3.5Š|
| 235 | A | 70.5 | Confident | 55.6 | Low | 93 Ų | 93 | 147.1 Ų | 147.1 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 124.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | T237 | A235-T237 PolarHBondContact O-N 3.48Š|
| 236 | Y | 57.2 | Low | 56.1 | Low | 231 Ų | 231 | 147.6 Ų | 147.6 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | trans | -67.9 | 110.3 | 170.7 | -68.6 | -90.9 | 0 | 0 | 0 | 109.3 | P234 | P234-Y236 PolarHBondContact O-N 3.5Š| ||
| 237 | T | 48.6 | Very low | 56.3 | Low | 127 Ų | 127 | 150.7 Ų | 150.7 | 78% | 0.779 | 83% | 0.827 | S | S | * | * | trans | -90 | 135.2 | 160 | 50.1 | 0 | 0 | 0 | 0 | 108.7 | A235 | A235-T237 PolarHBondContact O-N 3.48Š| ||
| 238 | P | 62.9 | Low | 57 | Low | 202 Ų | 202 | 151.2 Ų | 151.2 | 100% | 1.312 | 83% | 0.834 | S | S | * | * | trans | -62.1 | 0 | -171.7 | 26.1 | -34.9 | 0 | 0 | 0 | 114.1 |
Retrieved 238 of 238 residues in 123 ms
(Link to these results)