| 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 | 45.1 | Very low | 60.8 | Low | 236 Ų | 236 | 127 Ų | 127 | 100% | 1.163 | 68% | 0.677 | S | S | * | * | 0 | 95 | 0 | -68.1 | -167.1 | 164.8 | 0 | 0 | 108.3 | R3 | M1-R3 PolarHBondContact O-N 2.9Š| |||
| 2 | S | 47.2 | Very low | 60.6 | Low | 125 Ų | 125 | 125.6 Ų | 125.6 | 87% | 0.874 | 67% | 0.669 | S | S | * | * | trans | -70.1 | 108.6 | 177.6 | -175.9 | 0 | 0 | 0 | 0 | 107.8 | D4 | S2-D4 PolarHBondContact O-N 3.44Š| ||
| 3 | R | 55.8 | Low | 60.6 | Low | 228 Ų | 228 | 122.2 Ų | 122.2 | 86% | 0.86 | 66% | 0.656 | S | S | * | * | trans | -73.4 | 106.9 | 174.9 | -72.5 | -174.3 | 172 | 177.4 | -1.9 | 106.8 | M1 I5 | M1-R3 PolarHBondContact O-N 2.9Å; R3-I5 PolarHBondContact O-N 3.05Å | ||
| 4 | D | 56.6 | Low | 60.3 | Low | 116 Ų | 116 | 119.3 Ų | 119.3 | 62% | 0.62 | 65% | 0.649 | S | S | * | * | trans | -66 | 114.5 | 174.9 | -166.1 | -16.3 | 0 | 0 | 0 | 108.8 | S2 S6 P7 | S2-D4 PolarHBondContact O-N 3.44Å; D4-S6 VanDerWaalsContact C-N 3.28Å; D4-S6 WeakPolarHBondContact OD1-CB 3.44Å; D4-S6 PolarHBondContact OD1-N 2.71Å; D4-S6 VanDerWaalsContact OD1-N 3.13Å; D4-S6 PolarHBondContact OD1-OG 3.07Å; D4-P7 WeakPolarHBondContact O-CD 3.27Å | ||
| 5 | I | 64.8 | Low | 59.9 | Low | 106 Ų | 106 | 117.1 Ų | 117.1 | 54% | 0.544 | 65% | 0.647 | S | S | . | * | trans | -86.1 | -4 | -175.5 | -61.5 | 166.7 | 0 | 0 | 0 | 110.7 | R3 P7 L8 F9 | R3-I5 PolarHBondContact O-N 3.05Å; I5-P7 VanDerWaalsContact C-N 3.34Å; I5-L8 HydrophobicContact CG2-CB 4.08Å; I5-L8 HydrophobicContact CG2-CD1 4.19Å; I5-L8 WeakPolarHBondContact O-CB 3.24Å; I5-L8 PolarHBondContact O-N 2.88Å; I5-F9 PolarHBondContact O-N 3.05Å | ||
| 6 | S | 73.6 | Confident | 58.8 | Low | 69 Ų | 69 | 117.4 Ų | 117.4 | 48% | 0.483 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -45.5 | -43.5 | 176.5 | -59.2 | 0 | 0 | 0 | 0 | 115.2 | D4 L8 F9 T10 | D4-S6 VanDerWaalsContact C-N 3.28Å; D4-S6 WeakPolarHBondContact OD1-CB 3.44Å; D4-S6 PolarHBondContact OD1-N 2.71Å; D4-S6 VanDerWaalsContact OD1-N 3.13Å; D4-S6 PolarHBondContact OD1-OG 3.07Å; S6-L8 PolarHBondContact O-N 3.45Å; S6-F9 WeakPolarHBondContact O-CB 3.31Å; S6-F9 PolarHBondContact O-N 2.91Å; S6-F9 VanDerWaalsContact O-N 3.17Å; S6-T10 PolarHBondContact O-N 3.33Å; S6-T10 PolarHBondContact O-OG1 3.03Å |
| 7 | P | 66.9 | Low | 58 | Low | 84 Ų | 84 | 120.3 Ų | 120.3 | 55% | 0.545 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -67.7 | -32.5 | 178.5 | 24.8 | -33.6 | 0 | 0 | 0 | 113.9 | D4 I5 F9 T10 S11 | D4-P7 WeakPolarHBondContact O-CD 3.27Å; I5-P7 VanDerWaalsContact C-N 3.34Å; P7-F9 VanDerWaalsContact C-N 3.27Å; P7-F9 PolarHBondContact O-N 3.02Å; P7-T10 WeakPolarHBondContact CA-OG1 3.42Å; P7-T10 PolarHBondContact O-OG1 3.44Å; P7-S11 VanDerWaalsContact O-CB 3.29Å; P7-S11 WeakPolarHBondContact O-CB 3.47Å; P7-S11 PolarHBondContact O-N 3.23Å |
| 8 | L | 60.4 | Low | 57.2 | Low | 117 Ų | 117 | 119.6 Ų | 119.6 | 61% | 0.613 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -66.1 | -36.4 | 173.2 | -79.4 | 166.9 | 0 | 0 | 0 | 110.4 | I5 S6 L12 | I5-L8 HydrophobicContact CG2-CB 4.08Å; I5-L8 HydrophobicContact CG2-CD1 4.19Å; I5-L8 WeakPolarHBondContact O-CB 3.24Å; I5-L8 PolarHBondContact O-N 2.88Å; S6-L8 PolarHBondContact O-N 3.45Å; L8-L12 WeakPolarHBondContact O-CB 3.43Å; L8-L12 PolarHBondContact O-N 3.37Å; L8-L12 VanDerWaalsContact O-N 3.08Å |
| 9 | F | 66.9 | Low | 56.2 | Low | 145 Ų | 145 | 120.1 Ų | 120.1 | 64% | 0.636 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -69.8 | -46.3 | 178.1 | -127.4 | -89.2 | 0 | 0 | 0 | 112.3 | I5 S6 P7 S11 L12 V13 | I5-F9 PolarHBondContact O-N 3.05Å; S6-F9 WeakPolarHBondContact O-CB 3.31Å; S6-F9 PolarHBondContact O-N 2.91Å; S6-F9 VanDerWaalsContact O-N 3.17Å; P7-F9 VanDerWaalsContact C-N 3.27Å; P7-F9 PolarHBondContact O-N 3.02Å; F9-S11 PolarHBondContact O-N 3.19Å; F9-L12 PolarHBondContact O-N 2.95Å; F9-V13 HydrophobicContact CD1-CG2 4.23Å; F9-V13 WeakPolarHBondContact O-CB 3.22Å; F9-V13 VanDerWaalsContact O-CG2 3.23Å; F9-V13 WeakPolarHBondContact O-CG2 3.46Å; F9-V13 PolarHBondContact O-N 3.35Å |
| 10 | T | 64.5 | Low | 55.2 | Low | 96 Ų | 96 | 121.4 Ų | 121.4 | 59% | 0.589 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -67.5 | -35.5 | 177.8 | 35.2 | 0 | 0 | 0 | 0 | 112.5 | S6 P7 S14 | S6-T10 PolarHBondContact O-N 3.33Å; S6-T10 PolarHBondContact O-OG1 3.03Å; P7-T10 WeakPolarHBondContact CA-OG1 3.42Å; P7-T10 PolarHBondContact O-OG1 3.44Å; T10-S14 WeakPolarHBondContact O-CB 3.49Å; T10-S14 PolarHBondContact O-N 2.91Å; T10-S14 PolarHBondContact O-OG 2.74Å |
| 11 | S | 67.2 | Low | 54.4 | Low | 75 Ų | 75 | 120.8 Ų | 120.8 | 52% | 0.524 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -64.9 | -40 | 173.5 | -172 | 0 | 0 | 0 | 0 | 112.2 | P7 F9 S14 S15 | P7-S11 VanDerWaalsContact O-CB 3.29Å; P7-S11 WeakPolarHBondContact O-CB 3.47Å; P7-S11 PolarHBondContact O-N 3.23Å; F9-S11 PolarHBondContact O-N 3.19Å; S11-S14 PolarHBondContact O-OG 2.73Å; S11-S15 PolarHBondContact O-N 2.77Å; S11-S15 PolarHBondContact O-OG 2.81Å |
| 12 | L | 57.8 | Low | 53.8 | Low | 110 Ų | 110 | 119.3 Ų | 119.3 | 58% | 0.576 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -69.7 | -42.5 | 177 | -106.2 | 151.8 | 0 | 0 | 0 | 111.9 | L8 F9 S14 S15 I16 | L8-L12 WeakPolarHBondContact O-CB 3.43Å; L8-L12 PolarHBondContact O-N 3.37Å; L8-L12 VanDerWaalsContact O-N 3.08Å; F9-L12 PolarHBondContact O-N 2.95Å; L12-S14 VanDerWaalsContact C-N 3.33Å; L12-S14 PolarHBondContact O-N 3.44Å; L12-S15 WeakPolarHBondContact CA-OG 3.48Å; L12-S15 PolarHBondContact O-N 2.85Å; L12-S15 PolarHBondContact O-OG 3.44Å; L12-I16 VanDerWaalsContact O-CG1 3.3Å; L12-I16 WeakPolarHBondContact O-CG1 3.16Å; L12-I16 PolarHBondContact O-N 3.49Å; L12-I16 VanDerWaalsContact O-N 3.09Å |
| 13 | V | 61.6 | Low | 53 | Low | 82 Ų | 82 | 120.1 Ų | 120.1 | 50% | 0.497 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -65.9 | -36.1 | 178.2 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | F9 I16 K17 | F9-V13 HydrophobicContact CD1-CG2 4.23Å; F9-V13 WeakPolarHBondContact O-CB 3.22Å; F9-V13 VanDerWaalsContact O-CG2 3.23Å; F9-V13 WeakPolarHBondContact O-CG2 3.46Å; F9-V13 PolarHBondContact O-N 3.35Å; V13-I16 PolarHBondContact O-N 2.79Å; V13-K17 PolarHBondContact O-N 2.73Å |
| 14 | S | 56 | Low | 51.8 | Low | 81 Ų | 81 | 113.8 Ų | 113.8 | 57% | 0.566 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67 | -37.3 | 175.6 | 72.4 | 0 | 0 | 0 | 0 | 112 | T10 S11 L12 I16 K17 | T10-S14 WeakPolarHBondContact O-CB 3.49Å; T10-S14 PolarHBondContact O-N 2.91Å; T10-S14 PolarHBondContact O-OG 2.74Å; S11-S14 PolarHBondContact O-OG 2.73Å; L12-S14 VanDerWaalsContact C-N 3.33Å; L12-S14 PolarHBondContact O-N 3.44Å; S14-I16 VanDerWaalsContact C-N 3.26Å; S14-I16 PolarHBondContact O-N 2.77Å; S14-K17 PolarHBondContact O-N 2.88Å |
| 15 | S | 54 | Low | 50.6 | Low | 87 Ų | 87 | 113.3 Ų | 113.3 | 61% | 0.608 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -69.5 | -19.8 | 172.6 | 44.6 | 0 | 0 | 0 | 0 | 114.4 | S11 L12 | S11-S15 PolarHBondContact O-N 2.77Å; S11-S15 PolarHBondContact O-OG 2.81Å; L12-S15 WeakPolarHBondContact CA-OG 3.48Å; L12-S15 PolarHBondContact O-N 2.85Å; L12-S15 PolarHBondContact O-OG 3.44Å |
| 16 | I | 43.2 | Very low | 49 | Very low | 122 Ų | 122 | 115.4 Ų | 115.4 | 63% | 0.626 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -84.8 | -19.1 | 175.7 | -68.6 | 164.1 | 0 | 0 | 0 | 111.7 | L12 V13 S14 P18 | L12-I16 VanDerWaalsContact O-CG1 3.3Å; L12-I16 WeakPolarHBondContact O-CG1 3.16Å; L12-I16 PolarHBondContact O-N 3.49Å; L12-I16 VanDerWaalsContact O-N 3.09Å; V13-I16 PolarHBondContact O-N 2.79Å; S14-I16 VanDerWaalsContact C-N 3.26Å; S14-I16 PolarHBondContact O-N 2.77Å; I16-P18 WeakPolarHBondContact O-CD 3.45Å; I16-P18 VanDerWaalsContact O-N 3.09Å |
| 17 | K | 43.9 | Very low | 47 | Very low | 166 Ų | 166 | 117.5 Ų | 117.5 | 72% | 0.722 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -70.1 | 110.3 | 175.6 | -124.1 | 177.1 | -174.9 | 179.4 | 0 | 107.9 | V13 S14 T19 | V13-K17 PolarHBondContact O-N 2.73Å; S14-K17 PolarHBondContact O-N 2.88Å; K17-T19 PolarHBondContact O-N 3.28Å |
| 18 | P | 45 | Very low | 45.2 | Very low | 107 Ų | 107 | 120.3 Ų | 120.3 | 70% | 0.695 | 68% | 0.675 | S | S | * | * | trans | -63.9 | 111.3 | -178.3 | 27.1 | -31.5 | 0 | 0 | 0 | 106.8 | I16 I20 | I16-P18 WeakPolarHBondContact O-CD 3.45Å; I16-P18 VanDerWaalsContact O-N 3.09Å; P18-I20 PolarHBondContact O-N 2.7Å | ||
| 19 | T | 36.8 | Very low | 43.9 | Very low | 129 Ų | 129 | 123.7 Ų | 123.7 | 79% | 0.791 | 69% | 0.688 | S | S | * | * | trans | -59.5 | 95 | 168.5 | -55.8 | 0 | 0 | 0 | 0 | 106.4 | K17 P21 | K17-T19 PolarHBondContact O-N 3.28Å; T19-P21 WeakPolarHBondContact O-CD 3.47Å | ||
| 20 | I | 36.4 | Very low | 42.1 | Very low | 147 Ų | 147 | 125.7 Ų | 125.7 | 75% | 0.754 | 70% | 0.699 | S | S | * | * | trans | -54.7 | 111.1 | 169.9 | -62.8 | 164.6 | 0 | 0 | 0 | 104.9 | P18 K22 | P18-I20 PolarHBondContact O-N 2.7Å; I20-K22 PolarHBondContact O-N 2.92Å | ||
| 21 | P | 38 | Very low | 40.5 | Very low | 108 Ų | 108 | 128.5 Ų | 128.5 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | trans | -68.1 | 113.3 | -177.3 | -2.8 | 16.1 | 0 | 0 | 0 | 106.5 | T19 L23 | T19-P21 WeakPolarHBondContact O-CD 3.47Å; P21-L23 PolarHBondContact O-N 2.92Å | ||
| 22 | K | 32.2 | Very low | 38.7 | Very low | 205 Ų | 205 | 134.8 Ų | 134.8 | 89% | 0.891 | 72% | 0.721 | S | S | * | * | trans | -64.4 | 79.7 | 159.3 | -81.6 | 179.4 | 174.5 | 178.1 | 0 | 107.2 | I20 S24 | I20-K22 PolarHBondContact O-N 2.92Å; K22-S24 VanDerWaalsContact C-N 3.29Å; K22-S24 PolarHBondContact O-N 3.39Å | ||
| 23 | L | 30.7 | Very low | 37.4 | Very low | 143 Ų | 143 | 139.4 Ų | 139.4 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | trans | -89.3 | 79.1 | 167.6 | -166.1 | 67 | 0 | 0 | 0 | 107.4 | P21 | P21-L23 PolarHBondContact O-N 2.92Š| ||
| 24 | S | 31.2 | Very low | 36 | Very low | 94 Ų | 94 | 139.4 Ų | 139.4 | 66% | 0.657 | 74% | 0.737 | S | S | * | * | trans | -71.7 | 129.1 | 161.5 | 45.8 | 0 | 0 | 0 | 0 | 109 | K22 | K22-S24 VanDerWaalsContact C-N 3.29Å; K22-S24 PolarHBondContact O-N 3.39Å | ||
| 25 | S | 31.9 | Very low | 35.1 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | 57.9 | 88.1 | 157.4 | 62.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 26 | I | 31.4 | Very low | 34.3 | Very low | 150 Ų | 150 | 144.2 Ų | 144.2 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | -117.1 | 129.5 | 143.9 | -66.3 | 176.2 | 0 | 0 | 0 | 107.6 | ||||
| 27 | S | 31.2 | Very low | 34.1 | Very low | 113 Ų | 113 | 141.5 Ų | 141.5 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | trans | -62 | 153 | -164.4 | -45.6 | 0 | 0 | 0 | 0 | 115.3 | E29 | S27-E29 VanDerWaalsContact C-N 3.35Å; S27-E29 PolarHBondContact O-N 3.43Å; S27-E29 VanDerWaalsContact O-N 3.09Å | ||
| 28 | E | 29.8 | Very low | 33.9 | Very low | 143 Ų | 143 | 136.1 Ų | 136.1 | 67% | 0.668 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -71.4 | 20.3 | -166 | -98.5 | -95 | 142.5 | 0 | 0 | 117.9 | K31 | E28-K31 IonicContact OE1-NZ 3.76Å; E28-K31 PolarHBondContact OE1-NZ 3.25Å; E28-K31 IonicContact OE2-NZ 2.79Å |
| 29 | E | 31.6 | Very low | 33.8 | Very low | 188 Ų | 188 | 136.4 Ų | 136.4 | 88% | 0.879 | 73% | 0.727 | S | S | * | * | trans | -100 | 2.3 | -163 | -100.5 | -176.9 | 172.2 | 0 | 0 | 119.9 | S27 | S27-E29 VanDerWaalsContact C-N 3.35Å; S27-E29 PolarHBondContact O-N 3.43Å; S27-E29 VanDerWaalsContact O-N 3.09Å | ||
| 30 | E | 30.4 | Very low | 34.4 | Very low | 186 Ų | 186 | 134.3 Ų | 134.3 | 87% | 0.869 | 71% | 0.708 | S | S | * | * | trans | -119.5 | 65.9 | 172.8 | -72.7 | -159.4 | 154.8 | 0 | 0 | 113.5 | ||||
| 31 | K | 29.3 | Very low | 35.2 | Very low | 156 Ų | 156 | 134.5 Ų | 134.5 | 68% | 0.678 | 70% | 0.704 | S | S | * | * | trans | -107.3 | 19.8 | -177.2 | -118.9 | 178.4 | -170.9 | 168.7 | 0 | 116.5 | E28 | E28-K31 IonicContact OE1-NZ 3.76Å; E28-K31 PolarHBondContact OE1-NZ 3.25Å; E28-K31 IonicContact OE2-NZ 2.79Å | ||
| 32 | K | 30.4 | Very low | 36.4 | Very low | 207 Ų | 207 | 131.5 Ų | 131.5 | 90% | 0.9 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -127.1 | 5.8 | -173.6 | -88.6 | -174.1 | 178.7 | 178 | 0 | 120.2 | ||
| 33 | K | 29.7 | Very low | 38 | Very low | 206 Ų | 206 | 122 Ų | 122 | 90% | 0.896 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -134.6 | 5.9 | 174.4 | -84.8 | -172 | 177.2 | 179.1 | 0 | 118.2 | ||
| 34 | T | 32.6 | Very low | 39.8 | Very low | 83 Ų | 83 | 118.9 Ų | 118.9 | 51% | 0.509 | 63% | 0.625 | S | S | . | * | trans | -119.3 | 23.5 | -169.5 | 8.8 | 0 | 0 | 0 | 0 | 115.2 | L36 T37 | T34-L36 PolarHBondContact O-N 3.44Å; T34-L36 VanDerWaalsContact O-N 3.17Å; T34-T37 HydrophobicContact CG2-CG2 3.79Å; T34-T37 WeakPolarHBondContact CG2-OG1 3.31Å; T34-T37 PolarHBondContact O-N 2.86Å; T34-T37 VanDerWaalsContact O-N 3.17Å; T34-T37 PolarHBondContact O-OG1 3.45Å | ||
| 35 | S | 37.6 | Very low | 41.7 | Very low | 123 Ų | 123 | 116.8 Ų | 116.8 | 86% | 0.86 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -12.2 | 178.7 | 54.9 | 0 | 0 | 0 | 0 | 115 | ||
| 36 | L | 36.1 | Very low | 43.4 | Very low | 145 Ų | 145 | 114 Ų | 114 | 76% | 0.759 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -18.5 | 172.6 | -115.2 | 92 | 0 | 0 | 0 | 114.3 | T34 | T34-L36 PolarHBondContact O-N 3.44Å; T34-L36 VanDerWaalsContact O-N 3.17Å |
| 37 | T | 39.2 | Very low | 45 | Very low | 66 Ų | 66 | 107.2 Ų | 107.2 | 41% | 0.405 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -84.2 | -17.6 | -171.3 | 59.3 | 0 | 0 | 0 | 0 | 114.4 | T34 Y39 E40 F41 | T34-T37 HydrophobicContact CG2-CG2 3.79Å; T34-T37 WeakPolarHBondContact CG2-OG1 3.31Å; T34-T37 PolarHBondContact O-N 2.86Å; T34-T37 VanDerWaalsContact O-N 3.17Å; T34-T37 PolarHBondContact O-OG1 3.45Å; T37-Y39 VanDerWaalsContact C-N 3.26Å; T37-Y39 PolarHBondContact O-N 2.87Å; T37-E40 PolarHBondContact O-N 3.29Å; T37-F41 WeakPolarHBondContact O-CB 3.38Å; T37-F41 PolarHBondContact O-N 3.04Å |
| 38 | G | 39.9 | Very low | 46.8 | Very low | 53 Ų | 53 | 106.9 Ų | 106.9 | 55% | 0.546 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.8 | -33.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S42 | G38-S42 PolarHBondContact O-N 2.74Å |
| 39 | Y | 44 | Very low | 48.8 | Very low | 112 Ų | 112 | 102.7 Ų | 102.7 | 44% | 0.439 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -81.3 | -29.9 | 179 | -138.2 | -97.1 | 0 | 0 | 0 | 112.8 | T37 S42 F43 L105 | T37-Y39 VanDerWaalsContact C-N 3.26Å; T37-Y39 PolarHBondContact O-N 2.87Å; Y39-S42 PolarHBondContact O-OG 2.87Å; Y39-F43 PolarHBondContact O-N 3.19Å; Y39-L105 HydrophobicContact CD1-CD1 3.99Å; Y39-L105 HydrophobicContact CD1-CG 4.45Å; Y39-L105 HydrophobicContact CE1-CD1 3.1Å; Y39-L105 HydrophobicContact CE1-CG 3.85Å; Y39-L105 HydrophobicContact CE2-CD1 4.46Å; Y39-L105 VanDerWaalsContact OH-CD1 3.28Å; Y39-L105 WeakPolarHBondContact OH-CD1 3.39Å |
| 40 | E | 48.5 | Very low | 50.6 | Low | 86 Ų | 86 | 93.8 Ų | 93.8 | 40% | 0.402 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -72.6 | -40.7 | 174.5 | -172.5 | 170.1 | -161.1 | 0 | 0 | 111.2 | T37 S42 F43 Q44 | T37-E40 PolarHBondContact O-N 3.29Å; E40-S42 VanDerWaalsContact C-N 3.28Å; E40-S42 PolarHBondContact O-N 3.1Å; E40-F43 PolarHBondContact O-N 2.92Å; E40-Q44 PolarHBondContact O-N 2.86Å |
| 41 | F | 52.9 | Low | 52.4 | Low | 151 Ų | 151 | 89.9 Ų | 89.9 | 66% | 0.662 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -59.9 | -39.8 | 173.3 | -166.1 | -103.4 | 0 | 0 | 0 | 111.1 | T37 T45 | T37-F41 WeakPolarHBondContact O-CB 3.38Å; T37-F41 PolarHBondContact O-N 3.04Å; F41-T45 HydrophobicContact CD1-CG2 3.72Å; F41-T45 HydrophobicContact CD2-CG2 4.19Å; F41-T45 HydrophobicContact CE1-CG2 3.44Å; F41-T45 VanDerWaalsContact CE1-CG2 3.44Å; F41-T45 HydrophobicContact CE2-CG2 3.92Å; F41-T45 HydrophobicContact CG-CG2 4.1Å; F41-T45 HydrophobicContact CZ-CG2 3.53Å; F41-T45 VanDerWaalsContact O-CB 3.28Å; F41-T45 WeakPolarHBondContact O-CB 3.23Å; F41-T45 WeakPolarHBondContact O-CG2 3.21Å; F41-T45 PolarHBondContact O-N 2.89Å; F41-T45 PolarHBondContact O-OG1 3.47Å |
| 42 | S | 63.7 | Low | 54.4 | Low | 45 Ų | 45 | 85.5 Ų | 85.5 | 32% | 0.315 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68.8 | -36.7 | 179.5 | 73.3 | 0 | 0 | 0 | 0 | 113.4 | G38 Y39 E40 T45 R46 | G38-S42 PolarHBondContact O-N 2.74Å; Y39-S42 PolarHBondContact O-OG 2.87Å; E40-S42 VanDerWaalsContact C-N 3.28Å; E40-S42 PolarHBondContact O-N 3.1Å; S42-T45 PolarHBondContact O-OG1 2.9Å; S42-R46 WeakPolarHBondContact O-CB 3.36Å; S42-R46 PolarHBondContact O-N 3.38Å |
| 43 | F | 65.1 | Low | 56.3 | Low | 5 Ų | 5 | 76.9 Ų | 76.9 | 2% | 0.022 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.2 | -51.2 | 173.5 | 178.8 | -87.1 | 0 | 0 | 0 | 111 | Y39 E40 R46 A47 L102 L105 I106 R139 I142 | Y39-F43 PolarHBondContact O-N 3.19Å; E40-F43 PolarHBondContact O-N 2.92Å; F43-R46 PolarHBondContact O-N 3.47Å; F43-A47 HydrophobicContact CE1-CB 4.31Å; F43-A47 WeakPolarHBondContact O-CB 3.5Å; F43-A47 PolarHBondContact O-N 3.06Å; F43-L102 HydrophobicContact CD2-CD2 3.64Å; F43-L102 HydrophobicContact CE2-CD2 3.67Å; F43-L102 HydrophobicContact CG-CD2 4.33Å; F43-L102 HydrophobicContact CZ-CD2 4.39Å; F43-L105 HydrophobicContact CB-CD2 3.68Å; F43-L105 HydrophobicContact CD2-CD2 3.91Å; F43-L105 HydrophobicContact CG-CD2 4.29Å; F43-I106 HydrophobicContact CE2-CD1 4.03Å; F43-I106 HydrophobicContact CE2-CG1 3.95Å; F43-R139 HydrophobicContact CD1-CG 3.97Å; F43-R139 HydrophobicContact CD2-CG 4.43Å; F43-R139 HydrophobicContact CE1-CB 4.13Å; F43-R139 HydrophobicContact CE1-CG 3.74Å; F43-R139 HydrophobicContact CE2-CB 4.12Å; F43-R139 HydrophobicContact CE2-CG 4.24Å; F43-R139 HydrophobicContact CG-CG 4.34Å; F43-R139 HydrophobicContact CZ-CB 3.79Å; F43-R139 HydrophobicContact CZ-CG 3.89Å; F43-I142 HydrophobicContact CE1-CD1 4.39Å; F43-I142 HydrophobicContact CE1-CG2 4.4Å; F43-I142 HydrophobicContact CZ-CG2 4.39Å |
| 44 | Q | 69.7 | Low | 58.1 | Low | 77 Ų | 77 | 67.6 Ų | 67.6 | 36% | 0.36 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.1 | -48.5 | -174.3 | -178 | 62.6 | 15.6 | 0 | 0 | 111.6 | E40 R46 A47 E48 | E40-Q44 PolarHBondContact O-N 2.86Å; Q44-R46 PolarHBondContact O-N 3.24Å; Q44-A47 PolarHBondContact O-N 3.34Å; Q44-E48 WeakPolarHBondContact CG-OE1 3.35Å; Q44-E48 PolarHBondContact NE2-OE1 2.92Å; Q44-E48 WeakPolarHBondContact O-CB 3.48Å; Q44-E48 WeakPolarHBondContact O-CG 3.32Å; Q44-E48 PolarHBondContact O-N 2.97Å |
| 45 | T | 70.6 | Confident | 60.2 | Low | 51 Ų | 51 | 70 Ų | 70 | 31% | 0.313 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.7 | -33.1 | 176.5 | 51.7 | 0 | 0 | 0 | 0 | 112.2 | F41 S42 S49 | F41-T45 HydrophobicContact CD1-CG2 3.72Å; F41-T45 HydrophobicContact CD2-CG2 4.19Å; F41-T45 HydrophobicContact CE1-CG2 3.44Å; F41-T45 VanDerWaalsContact CE1-CG2 3.44Å; F41-T45 HydrophobicContact CE2-CG2 3.92Å; F41-T45 HydrophobicContact CG-CG2 4.1Å; F41-T45 HydrophobicContact CZ-CG2 3.53Å; F41-T45 VanDerWaalsContact O-CB 3.28Å; F41-T45 WeakPolarHBondContact O-CB 3.23Å; F41-T45 WeakPolarHBondContact O-CG2 3.21Å; F41-T45 PolarHBondContact O-N 2.89Å; F41-T45 PolarHBondContact O-OG1 3.47Å; S42-T45 PolarHBondContact O-OG1 2.9Å; T45-S49 VanDerWaalsContact O-CB 3.26Å; T45-S49 WeakPolarHBondContact O-CB 3.28Å; T45-S49 PolarHBondContact O-N 2.9Å |
| 46 | R | 68.6 | Low | 61.9 | Low | 49 Ų | 49 | 67.2 Ų | 67.2 | 19% | 0.185 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -79.2 | -35.1 | 179.1 | -169.2 | 158.3 | 173.9 | -126.7 | -40.4 | 113.4 | S42 F43 Q44 L50 L98 Q101 L102 | S42-R46 WeakPolarHBondContact O-CB 3.36Å; S42-R46 PolarHBondContact O-N 3.38Å; F43-R46 PolarHBondContact O-N 3.47Å; Q44-R46 PolarHBondContact O-N 3.24Å; R46-L50 PolarHBondContact O-N 2.92Å; R46-L98 HydrophobicContact CG-CD2 3.98Å; R46-L98 PolarHBondContact NH2-O 3.25Å; R46-Q101 VanDerWaalsContact CZ-CB 3.49Å; R46-Q101 VanDerWaalsContact CZ-CD 3.42Å; R46-Q101 VanDerWaalsContact NE-OE1 3.11Å; R46-Q101 VanDerWaalsContact NH1-CB 3.34Å; R46-Q101 PolarHBondContact NH1-O 3.1Å; R46-Q101 VanDerWaalsContact NH1-O 3.1Å; R46-L102 HydrophobicContact CB-CD2 4.16Å; R46-L102 HydrophobicContact CG-CD2 4.07Å; R46-L102 HydrophobicContact CG-CG 4.36Å; R46-L102 VanDerWaalsContact NH2-N 3.15Å |
| 47 | A | 63.8 | Low | 63.2 | Low | 6 Ų | 6 | 60.4 Ų | 60.4 | 5% | 0.05 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | F43 Q44 L50 H51 I142 L146 | F43-A47 HydrophobicContact CE1-CB 4.31Å; F43-A47 WeakPolarHBondContact O-CB 3.5Å; F43-A47 PolarHBondContact O-N 3.06Å; Q44-A47 PolarHBondContact O-N 3.34Å; A47-L50 PolarHBondContact O-N 3.29Å; A47-H51 WeakPolarHBondContact O-CB 3.44Å; A47-H51 PolarHBondContact O-N 3.16Å; A47-I142 HydrophobicContact CB-CG2 4.23Å; A47-L146 HydrophobicContact CB-CD1 4.18Å |
| 48 | E | 68.9 | Low | 64.5 | Low | 107 Ų | 107 | 59.3 Ų | 59.3 | 50% | 0.5 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.7 | -41.1 | 175.1 | -72.9 | 174.9 | -175.1 | 0 | 0 | 112.4 | Q44 L50 H51 S52 | Q44-E48 WeakPolarHBondContact CG-OE1 3.35Å; Q44-E48 PolarHBondContact NE2-OE1 2.92Å; Q44-E48 WeakPolarHBondContact O-CB 3.48Å; Q44-E48 WeakPolarHBondContact O-CG 3.32Å; Q44-E48 PolarHBondContact O-N 2.97Å; E48-L50 VanDerWaalsContact C-N 3.34Å; E48-L50 PolarHBondContact O-N 3.38Å; E48-H51 PolarHBondContact O-N 3.34Å; E48-S52 WeakPolarHBondContact O-CB 3.41Å; E48-S52 PolarHBondContact O-N 2.87Å; E48-S52 PolarHBondContact O-OG 3.44Å; E48-S52 VanDerWaalsContact O-OG 3.05Å |
| 49 | S | 71.6 | Confident | 66.1 | Low | 55 Ų | 55 | 60.8 Ų | 60.8 | 39% | 0.385 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 172.3 | 178.1 | 0 | 0 | 0 | 0 | 111.6 | T45 S52 S53 | T45-S49 VanDerWaalsContact O-CB 3.26Å; T45-S49 WeakPolarHBondContact O-CB 3.28Å; T45-S49 PolarHBondContact O-N 2.9Å; S49-S52 PolarHBondContact O-OG 2.92Å; S49-S53 WeakPolarHBondContact O-CB 3.49Å; S49-S53 PolarHBondContact O-N 3.3Å; S49-S53 PolarHBondContact O-OG 2.93Å |
| 50 | L | 69.3 | Low | 67.2 | Low | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67 | -44.2 | 175.2 | -174.1 | 147.6 | 0 | 0 | 0 | 111.7 | R46 A47 E48 S52 S53 L54 L98 L99 L102 L146 | R46-L50 PolarHBondContact O-N 2.92Å; A47-L50 PolarHBondContact O-N 3.29Å; E48-L50 VanDerWaalsContact C-N 3.34Å; E48-L50 PolarHBondContact O-N 3.38Å; L50-S52 PolarHBondContact O-N 3.11Å; L50-S53 WeakPolarHBondContact O-CB 3.47Å; L50-S53 PolarHBondContact O-N 3.4Å; L50-L54 VanDerWaalsContact O-CB 3.26Å; L50-L54 WeakPolarHBondContact O-CB 3.28Å; L50-L54 PolarHBondContact O-N 3.39Å; L50-L98 HydrophobicContact CB-CD1 4.29Å; L50-L98 HydrophobicContact CD1-CB 3.66Å; L50-L99 HydrophobicContact CD1-CD2 3.74Å; L50-L99 HydrophobicContact CD1-CG 3.79Å; L50-L102 HydrophobicContact CD1-CD1 4.38Å; L50-L146 HydrophobicContact CD2-CB 4.01Å; L50-L146 HydrophobicContact CD2-CD1 4.06Å; L50-L146 HydrophobicContact CD2-CD2 3.68Å; L50-L146 HydrophobicContact CD2-CG 4.11Å |
| 51 | H | 68.1 | Low | 67.9 | Low | 105 Ų | 105 | 56.7 Ų | 56.7 | 49% | 0.486 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 179.2 | -176.4 | 73.8 | 0 | 0 | 0 | 111.9 | A47 E48 L54 K55 L146 | A47-H51 WeakPolarHBondContact O-CB 3.44Å; A47-H51 PolarHBondContact O-N 3.16Å; E48-H51 PolarHBondContact O-N 3.34Å; H51-L54 PolarHBondContact O-N 3.1Å; H51-K55 VanDerWaalsContact O-CB 3.32Å; H51-K55 WeakPolarHBondContact O-CB 3.36Å; H51-K55 PolarHBondContact O-N 2.89Å; H51-L146 HydrophobicContact CB-CD2 4.31Å |
| 52 | S | 72.8 | Confident | 68.6 | Low | 63 Ų | 63 | 55.5 Ų | 55.5 | 44% | 0.441 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.5 | -41.2 | 174.2 | 61.9 | 0 | 0 | 0 | 0 | 111.8 | E48 S49 L50 K55 V56 | E48-S52 WeakPolarHBondContact O-CB 3.41Å; E48-S52 PolarHBondContact O-N 2.87Å; E48-S52 PolarHBondContact O-OG 3.44Å; E48-S52 VanDerWaalsContact O-OG 3.05Å; S49-S52 PolarHBondContact O-OG 2.92Å; L50-S52 PolarHBondContact O-N 3.11Å; S52-K55 PolarHBondContact O-N 3.34Å; S52-V56 WeakPolarHBondContact O-CB 3.39Å; S52-V56 VanDerWaalsContact O-CG2 3.26Å; S52-V56 WeakPolarHBondContact O-CG2 3.21Å; S52-V56 PolarHBondContact O-N 3.04Å |
| 53 | S | 70.4 | Confident | 68.5 | Low | 27 Ų | 27 | 60.5 Ų | 60.5 | 19% | 0.189 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.2 | -43 | 174.4 | -59.6 | 0 | 0 | 0 | 0 | 112.3 | S49 L50 V56 L57 | S49-S53 WeakPolarHBondContact O-CB 3.49Å; S49-S53 PolarHBondContact O-N 3.3Å; S49-S53 PolarHBondContact O-OG 2.93Å; L50-S53 WeakPolarHBondContact O-CB 3.47Å; L50-S53 PolarHBondContact O-N 3.4Å; S53-V56 PolarHBondContact O-N 2.93Å; S53-L57 WeakPolarHBondContact O-CB 3.44Å; S53-L57 PolarHBondContact O-N 3.13Å |
| 54 | L | 67.4 | Low | 68.2 | Low | 10 Ų | 10 | 60.6 Ų | 60.6 | 5% | 0.052 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 176.6 | -173.3 | 78.9 | 0 | 0 | 0 | 111.8 | L50 H51 L57 S58 E149 L150 L153 | L50-L54 VanDerWaalsContact O-CB 3.26Å; L50-L54 WeakPolarHBondContact O-CB 3.28Å; L50-L54 PolarHBondContact O-N 3.39Å; H51-L54 PolarHBondContact O-N 3.1Å; L54-L57 WeakPolarHBondContact O-CB 3.34Å; L54-L57 PolarHBondContact O-N 2.87Å; L54-S58 PolarHBondContact O-N 3.1Å; L54-E149 HydrophobicContact CD2-CB 3.57Å; L54-E149 HydrophobicContact CD2-CG 4.28Å; L54-L150 HydrophobicContact CD1-CD1 4.21Å; L54-L153 HydrophobicContact CD1-CB 4.45Å; L54-L153 HydrophobicContact CD1-CD2 3.24Å; L54-L153 HydrophobicContact CG-CD2 4.07Å |
| 55 | K | 75.9 | Confident | 67.6 | Low | 133 Ų | 133 | 61.6 Ų | 61.6 | 58% | 0.578 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64.5 | -41.6 | 175.4 | -175.1 | 172.1 | -175.7 | 171.4 | 0 | 111.5 | H51 S52 L57 S58 N59 | H51-K55 VanDerWaalsContact O-CB 3.32Å; H51-K55 WeakPolarHBondContact O-CB 3.36Å; H51-K55 PolarHBondContact O-N 2.89Å; S52-K55 PolarHBondContact O-N 3.34Å; K55-L57 VanDerWaalsContact C-N 3.33Å; K55-S58 PolarHBondContact O-N 2.9Å; K55-N59 PolarHBondContact O-N 3.35Å; K55-N59 VanDerWaalsContact O-N 3.08Å; K55-N59 PolarHBondContact O-ND2 3.44Å |
| 56 | V | 72.5 | Confident | 67.1 | Low | 65 Ų | 65 | 66.1 Ų | 66.1 | 39% | 0.394 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 173 | 166.3 | 0 | 0 | 0 | 0 | 110.3 | S52 S53 N59 Y60 L91 | S52-V56 WeakPolarHBondContact O-CB 3.39Å; S52-V56 VanDerWaalsContact O-CG2 3.26Å; S52-V56 WeakPolarHBondContact O-CG2 3.21Å; S52-V56 PolarHBondContact O-N 3.04Å; S53-V56 PolarHBondContact O-N 2.93Å; V56-N59 PolarHBondContact O-N 3.25Å; V56-Y60 HydrophobicContact CB-CE2 4.5Å; V56-Y60 HydrophobicContact CG1-CD2 3.57Å; V56-Y60 HydrophobicContact CG1-CE2 3.09Å; V56-Y60 WeakPolarHBondContact O-CD2 3.48Å; V56-Y60 PolarHBondContact O-N 2.86Å; V56-L91 HydrophobicContact CG1-CD2 4.45Å |
| 57 | L | 65 | Low | 66.2 | Low | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62 | -44.7 | 176.1 | -177 | 53 | 0 | 0 | 0 | 112.9 | S53 L54 K55 N59 Y60 L61 V88 L91 I92 L153 | S53-L57 WeakPolarHBondContact O-CB 3.44Å; S53-L57 PolarHBondContact O-N 3.13Å; L54-L57 WeakPolarHBondContact O-CB 3.34Å; L54-L57 PolarHBondContact O-N 2.87Å; K55-L57 VanDerWaalsContact C-N 3.33Å; L57-N59 VanDerWaalsContact C-N 3.29Å; L57-N59 PolarHBondContact O-N 2.89Å; L57-Y60 PolarHBondContact O-N 2.83Å; L57-Y60 VanDerWaalsContact O-N 3.14Å; L57-L61 WeakPolarHBondContact O-CB 3.36Å; L57-L61 PolarHBondContact O-N 3.38Å; L57-V88 HydrophobicContact CD1-CB 3.98Å; L57-V88 HydrophobicContact CD1-CG1 3.74Å; L57-V88 HydrophobicContact CD1-CG2 3.61Å; L57-L91 HydrophobicContact CB-CD2 3.55Å; L57-L91 HydrophobicContact CB-CG 4.19Å; L57-L91 HydrophobicContact CD1-CB 4.47Å; L57-L91 HydrophobicContact CD1-CD2 3.98Å; L57-L91 HydrophobicContact CD1-CG 4.47Å; L57-L91 HydrophobicContact CD2-CG 4.36Å; L57-L91 HydrophobicContact CG-CD2 4.18Å; L57-I92 HydrophobicContact CD2-CD1 4.44Å; L57-I92 HydrophobicContact CD2-CG1 3.57Å; L57-L153 HydrophobicContact CB-CD2 3.91Å; L57-L153 HydrophobicContact CD2-CD2 3.23Å; L57-L153 HydrophobicContact CD2-CG 3.84Å; L57-L153 HydrophobicContact CG-CD1 4.35Å; L57-L153 HydrophobicContact CG-CD2 3.49Å; L57-L153 VanDerWaalsContact CG-CD2 3.49Å; L57-L153 HydrophobicContact CG-CG 4.05Å |
| 58 | S | 66.7 | Low | 65.6 | Low | 43 Ų | 43 | 67 Ų | 67 | 30% | 0.301 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.6 | -40.9 | 175.4 | -179.4 | 0 | 0 | 0 | 0 | 111.8 | L54 K55 L61 K62 | L54-S58 PolarHBondContact O-N 3.1Å; K55-S58 PolarHBondContact O-N 2.9Å; S58-L61 PolarHBondContact O-N 2.73Å; S58-K62 WeakPolarHBondContact O-CG 3.5Å; S58-K62 PolarHBondContact O-N 3.39Å |
| 59 | N | 73.6 | Confident | 64.8 | Low | 85 Ų | 85 | 65.4 Ų | 65.4 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -67.8 | -39.7 | 175.1 | -72.3 | -49.4 | 0 | 0 | 0 | 112.4 | K55 V56 L57 L61 K62 R63 | K55-N59 PolarHBondContact O-N 3.35Å; K55-N59 VanDerWaalsContact O-N 3.08Å; K55-N59 PolarHBondContact O-ND2 3.44Å; V56-N59 PolarHBondContact O-N 3.25Å; L57-N59 VanDerWaalsContact C-N 3.29Å; L57-N59 PolarHBondContact O-N 2.89Å; N59-L61 VanDerWaalsContact C-N 3.34Å; N59-K62 PolarHBondContact O-N 2.76Å; N59-R63 PolarHBondContact O-N 2.95Å |
| 60 | Y | 65.9 | Low | 63.8 | Low | 108 Ų | 108 | 64.4 Ų | 64.4 | 42% | 0.424 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 174.6 | -75.4 | -51.5 | 0 | 0 | 0 | 112 | V56 L57 R63 I64 L84 L91 | V56-Y60 HydrophobicContact CB-CE2 4.5Å; V56-Y60 HydrophobicContact CG1-CD2 3.57Å; V56-Y60 HydrophobicContact CG1-CE2 3.09Å; V56-Y60 WeakPolarHBondContact O-CD2 3.48Å; V56-Y60 PolarHBondContact O-N 2.86Å; L57-Y60 PolarHBondContact O-N 2.83Å; L57-Y60 VanDerWaalsContact O-N 3.14Å; Y60-R63 CarbonylContact O-C 3.59Å; Y60-R63 WeakPolarHBondContact O-CB 3.37Å; Y60-R63 PolarHBondContact O-N 3.22Å; Y60-R63 VanDerWaalsContact O-N 3.15Å; Y60-I64 WeakPolarHBondContact O-CG1 3.45Å; Y60-I64 PolarHBondContact O-N 2.92Å; Y60-L84 HydrophobicContact CD1-CD1 4.19Å; Y60-L84 HydrophobicContact CG-CD1 4.44Å; Y60-L91 HydrophobicContact CD2-CD2 4.39Å |
| 61 | L | 64.4 | Low | 62.6 | Low | 4 Ų | 4 | 64.5 Ų | 64.5 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.7 | -43 | 177.8 | -159.9 | 66.8 | 0 | 0 | 0 | 111.7 | L57 S58 N59 R63 I64 H65 L153 L156 E160 | L57-L61 WeakPolarHBondContact O-CB 3.36Å; L57-L61 PolarHBondContact O-N 3.38Å; S58-L61 PolarHBondContact O-N 2.73Å; N59-L61 VanDerWaalsContact C-N 3.34Å; L61-R63 PolarHBondContact O-N 3.38Å; L61-I64 HydrophobicContact CD1-CD1 4.05Å; L61-I64 WeakPolarHBondContact O-CA 3.36Å; L61-I64 WeakPolarHBondContact O-CB 3.36Å; L61-I64 PolarHBondContact O-N 3.07Å; L61-I64 VanDerWaalsContact O-N 3.1Å; L61-H65 PolarHBondContact O-N 2.9Å; L61-L153 HydrophobicContact CD2-CD1 3.47Å; L61-L153 VanDerWaalsContact CD2-CD1 3.47Å; L61-L156 HydrophobicContact CD2-CB 3.96Å; L61-L156 HydrophobicContact CD2-CD2 3.4Å; L61-L156 VanDerWaalsContact CD2-CD2 3.4Å; L61-L156 HydrophobicContact CD2-CG 3.52Å; L61-L156 HydrophobicContact CG-CD2 4.33Å; L61-L156 HydrophobicContact CG-CG 4.4Å; L61-E160 VanDerWaalsContact CD1-CD 3.4Å; L61-E160 WeakPolarHBondContact CD1-OE2 3.29Å; L61-E160 WeakPolarHBondContact CG-OE1 3.45Å |
| 62 | K | 66.7 | Low | 61.7 | Low | 126 Ų | 126 | 61.4 Ų | 61.4 | 55% | 0.548 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.5 | -38.8 | 170.8 | -73.8 | 175.2 | -175.8 | 178.2 | 0 | 112.3 | S58 N59 H65 Q66 | S58-K62 WeakPolarHBondContact O-CG 3.5Å; S58-K62 PolarHBondContact O-N 3.39Å; N59-K62 PolarHBondContact O-N 2.76Å; K62-H65 WeakPolarHBondContact O-CB 3.49Å; K62-H65 PolarHBondContact O-N 2.92Å; K62-Q66 WeakPolarHBondContact O-CG 3.45Å; K62-Q66 PolarHBondContact O-N 3.03Å |
| 63 | R | 61 | Low | 60.6 | Low | 150 Ų | 150 | 61.8 Ų | 61.8 | 57% | 0.566 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -69.9 | -37.8 | 176.4 | -168.5 | 176.7 | -178.9 | 176.7 | -0.4 | 111.9 | N59 Y60 L61 H65 L67 | N59-R63 PolarHBondContact O-N 2.95Å; Y60-R63 CarbonylContact O-C 3.59Å; Y60-R63 WeakPolarHBondContact O-CB 3.37Å; Y60-R63 PolarHBondContact O-N 3.22Å; Y60-R63 VanDerWaalsContact O-N 3.15Å; L61-R63 PolarHBondContact O-N 3.38Å; R63-H65 VanDerWaalsContact C-N 3.35Å; R63-L67 HydrophobicContact CG-CD1 4.07Å; R63-L67 WeakPolarHBondContact O-CB 3.42Å; R63-L67 VanDerWaalsContact O-CG 3.26Å; R63-L67 WeakPolarHBondContact O-CG 3.49Å; R63-L67 PolarHBondContact O-N 3.25Å |
| 64 | I | 59.3 | Low | 59.8 | Low | 7 Ų | 7 | 63.4 Ų | 63.4 | 4% | 0.036 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.5 | -51.6 | 169.4 | -69.2 | 164 | 0 | 0 | 0 | 109.3 | Y60 L61 Q66 L67 T68 H81 L84 V88 E160 | Y60-I64 WeakPolarHBondContact O-CG1 3.45Å; Y60-I64 PolarHBondContact O-N 2.92Å; L61-I64 HydrophobicContact CD1-CD1 4.05Å; L61-I64 WeakPolarHBondContact O-CA 3.36Å; L61-I64 WeakPolarHBondContact O-CB 3.36Å; L61-I64 PolarHBondContact O-N 3.07Å; L61-I64 VanDerWaalsContact O-N 3.1Å; I64-Q66 PolarHBondContact O-N 2.85Å; I64-L67 PolarHBondContact O-N 2.76Å; I64-L67 VanDerWaalsContact O-N 3.13Å; I64-T68 WeakPolarHBondContact CG2-OG1 3.37Å; I64-T68 WeakPolarHBondContact O-CB 3.49Å; I64-T68 PolarHBondContact O-N 3.27Å; I64-T68 PolarHBondContact O-OG1 3.07Å; I64-H81 PolarHBondContact O-CE1 3.16Å; I64-L84 HydrophobicContact CB-CD2 4.31Å; I64-L84 HydrophobicContact CD1-CB 4.5Å; I64-L84 HydrophobicContact CD1-CD1 4.5Å; I64-L84 HydrophobicContact CD1-CD2 4.04Å; I64-L84 HydrophobicContact CD1-CG 3.63Å; I64-L84 HydrophobicContact CG1-CB 4.26Å; I64-L84 HydrophobicContact CG1-CD1 4.42Å; I64-L84 HydrophobicContact CG1-CD2 3.16Å; I64-L84 HydrophobicContact CG1-CG 3.34Å; I64-V88 HydrophobicContact CD1-CG2 3.79Å; I64-E160 VanDerWaalsContact CG2-OE2 3.26Å; I64-E160 WeakPolarHBondContact CG2-OE2 3.38Å |
| 65 | H | 56.7 | Low | 59.3 | Low | 97 Ų | 97 | 67.1 Ų | 67.1 | 45% | 0.449 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -55.2 | -50.2 | -178.9 | -172.3 | 83.3 | 0 | 0 | 0 | 111.6 | L61 K62 R63 L67 T68 A69 | L61-H65 PolarHBondContact O-N 2.9Å; K62-H65 WeakPolarHBondContact O-CB 3.49Å; K62-H65 PolarHBondContact O-N 2.92Å; R63-H65 VanDerWaalsContact C-N 3.35Å; H65-L67 VanDerWaalsContact C-N 3.35Å; H65-L67 PolarHBondContact O-N 3.41Å; H65-T68 PolarHBondContact O-N 2.86Å; H65-A69 PolarHBondContact O-N 2.85Å |
| 66 | Q | 61.2 | Low | 58.4 | Low | 147 Ų | 147 | 64.6 Ų | 64.6 | 69% | 0.687 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -59.6 | -41.5 | 176.4 | -73.6 | 175.8 | -2.7 | 0 | 0 | 113.1 | K62 I64 | K62-Q66 WeakPolarHBondContact O-CG 3.45Å; K62-Q66 PolarHBondContact O-N 3.03Å; I64-Q66 PolarHBondContact O-N 2.85Å |
| 67 | L | 49.9 | Very low | 57.6 | Low | 70 Ų | 70 | 65 Ų | 65 | 37% | 0.366 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -73.6 | -37.1 | 179.6 | -70.8 | 171.6 | 0 | 0 | 0 | 111.7 | R63 I64 H65 A69 G70 T71 | R63-L67 HydrophobicContact CG-CD1 4.07Å; R63-L67 WeakPolarHBondContact O-CB 3.42Å; R63-L67 VanDerWaalsContact O-CG 3.26Å; R63-L67 WeakPolarHBondContact O-CG 3.49Å; R63-L67 PolarHBondContact O-N 3.25Å; I64-L67 PolarHBondContact O-N 2.76Å; I64-L67 VanDerWaalsContact O-N 3.13Å; H65-L67 VanDerWaalsContact C-N 3.35Å; H65-L67 PolarHBondContact O-N 3.41Å; L67-A69 VanDerWaalsContact C-N 3.3Å; L67-A69 PolarHBondContact O-N 3.39Å; L67-G70 PolarHBondContact O-N 2.76Å; L67-T71 WeakPolarHBondContact O-CG2 3.26Å; L67-T71 PolarHBondContact O-N 2.96Å |
| 68 | T | 51.2 | Low | 57.2 | Low | 4 Ų | 4 | 68.6 Ų | 68.6 | 3% | 0.025 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.3 | -31.2 | -176.6 | -34.7 | 0 | 0 | 0 | 0 | 112.7 | I64 H65 G70 T71 H81 R163 Q164 L167 | I64-T68 WeakPolarHBondContact CG2-OG1 3.37Å; I64-T68 WeakPolarHBondContact O-CB 3.49Å; I64-T68 PolarHBondContact O-N 3.27Å; I64-T68 PolarHBondContact O-OG1 3.07Å; H65-T68 PolarHBondContact O-N 2.86Å; T68-G70 PolarHBondContact O-N 3.14Å; T68-T71 PolarHBondContact O-N 2.74Å; T68-T71 PolarHBondContact O-OG1 3.39Å; T68-T71 VanDerWaalsContact O-OG1 3.14Å; T68-H81 PolarHBondContact OG1-CE1 2.91Å; T68-R163 PolarHBondContact OG1-NH2 2.87Å; T68-Q164 VanDerWaalsContact CG2-OE1 3.25Å; T68-L167 HydrophobicContact CG2-CD1 4.31Å |
| 69 | A | 51.4 | Low | 56.8 | Low | 72 Ų | 72 | 75.7 Ų | 75.7 | 60% | 0.595 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -24.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | H65 L67 | H65-A69 PolarHBondContact O-N 2.85Å; L67-A69 VanDerWaalsContact C-N 3.3Å; L67-A69 PolarHBondContact O-N 3.39Å |
| 70 | G | 50 | Low | 56.1 | Low | 34 Ų | 34 | 76.1 Ų | 76.1 | 35% | 0.351 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | 12.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | L67 T68 K77 | L67-G70 PolarHBondContact O-N 2.76Å; T68-G70 PolarHBondContact O-N 3.14Å; G70-K77 VanDerWaalsContact O-CD 3.24Å; G70-K77 WeakPolarHBondContact O-CD 3.48Å; G70-K77 PolarHBondContact O-NZ 2.85Å |
| 71 | T | 45.2 | Very low | 55.5 | Low | 3 Ų | 3 | 71.5 Ų | 71.5 | 2% | 0.018 | 38% | 0.38 | C | S | . | . | trans | -87.4 | -12.7 | -171 | 52.1 | 0 | 0 | 0 | 0 | 116.9 | L67 T68 G73 N74 K77 H81 | L67-T71 WeakPolarHBondContact O-CG2 3.26Å; L67-T71 PolarHBondContact O-N 2.96Å; T68-T71 PolarHBondContact O-N 2.74Å; T68-T71 PolarHBondContact O-OG1 3.39Å; T68-T71 VanDerWaalsContact O-OG1 3.14Å; T71-G73 PolarHBondContact O-N 3.32Å; T71-G73 VanDerWaalsContact O-N 3.12Å; T71-N74 PolarHBondContact O-N 3.15Å; T71-K77 HydrophobicContact CG2-CB 3.28Å; T71-K77 HydrophobicContact CG2-CD 3.86Å; T71-K77 HydrophobicContact CG2-CG 4.19Å; T71-H81 WeakPolarHBondContact CG2-CD2 3.23Å; T71-H81 WeakPolarHBondContact CG2-NE2 3.32Å | ||
| 72 | L | 49.2 | Very low | 55.4 | Low | 39 Ų | 39 | 74.2 Ų | 74.2 | 20% | 0.204 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | 117.7 | -179.6 | -142.4 | 83.4 | 0 | 0 | 0 | 110.7 | L167 Q273 | L72-L167 HydrophobicContact CD1-CB 4.42Å; L72-L167 HydrophobicContact CD1-CD2 4.06Å; L72-Q273 PolarHBondContact O-NE2 3.35Å |
| 73 | G | 48.9 | Very low | 55.3 | Low | 71 Ų | 71 | 73 Ų | 73 | 73% | 0.732 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101 | -7.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | T71 | T71-G73 PolarHBondContact O-N 3.32Å; T71-G73 VanDerWaalsContact O-N 3.12Å |
| 74 | N | 54.9 | Low | 55.4 | Low | 61 Ų | 61 | 67.1 Ų | 67.1 | 33% | 0.326 | 38% | 0.379 | S | S | . | . | trans | -118.8 | 107.5 | -179.9 | -163.3 | -20.2 | 0 | 0 | 0 | 112.5 | T71 T76 K77 Q78 | T71-N74 PolarHBondContact O-N 3.15Å; N74-T76 PolarHBondContact ND2-OG1 3.39Å; N74-T76 PolarHBondContact O-N 3.43Å; N74-T76 PolarHBondContact OD1-N 2.94Å; N74-T76 PolarHBondContact OD1-OG1 3.26Å; N74-K77 HydrophobicContact CB-CB 4.24Å; N74-K77 HydrophobicContact CB-CD 3.96Å; N74-K77 HydrophobicContact CB-CG 3.82Å; N74-K77 PolarHBondContact O-N 3.38Å; N74-Q78 PolarHBondContact O-N 2.89Å; N74-Q78 VanDerWaalsContact O-N 3.1Å | ||
| 75 | S | 56.4 | Low | 55.5 | Low | 88 Ų | 88 | 69.2 Ų | 69.2 | 62% | 0.615 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -57.8 | -30.8 | 177.7 | 59.3 | 0 | 0 | 0 | 0 | 113 | Q78 R79 | S75-Q78 PolarHBondContact O-N 2.92Å; S75-R79 PolarHBondContact O-N 3.23Å |
| 76 | T | 56.9 | Low | 56 | Low | 80 Ų | 80 | 70.5 Ų | 70.5 | 49% | 0.491 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68.7 | -38.6 | 176.7 | 70.4 | 0 | 0 | 0 | 0 | 111 | N74 R79 L80 | N74-T76 PolarHBondContact ND2-OG1 3.39Å; N74-T76 PolarHBondContact O-N 3.43Å; N74-T76 PolarHBondContact OD1-N 2.94Å; N74-T76 PolarHBondContact OD1-OG1 3.26Å; T76-R79 PolarHBondContact O-N 3.48Å; T76-L80 WeakPolarHBondContact O-CG 3.49Å; T76-L80 PolarHBondContact O-N 3.49Å |
| 77 | K | 55.8 | Low | 56.1 | Low | 74 Ų | 74 | 67.9 Ų | 67.9 | 32% | 0.322 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69.8 | -38.8 | 177.4 | -55.4 | -176.7 | 177.5 | -178 | 0 | 110.8 | G70 T71 N74 R79 L80 H81 | G70-K77 VanDerWaalsContact O-CD 3.24Å; G70-K77 WeakPolarHBondContact O-CD 3.48Å; G70-K77 PolarHBondContact O-NZ 2.85Å; T71-K77 HydrophobicContact CG2-CB 3.28Å; T71-K77 HydrophobicContact CG2-CD 3.86Å; T71-K77 HydrophobicContact CG2-CG 4.19Å; N74-K77 HydrophobicContact CB-CB 4.24Å; N74-K77 HydrophobicContact CB-CD 3.96Å; N74-K77 HydrophobicContact CB-CG 3.82Å; N74-K77 PolarHBondContact O-N 3.38Å; K77-R79 VanDerWaalsContact C-N 3.33Å; K77-R79 PolarHBondContact O-N 2.84Å; K77-L80 PolarHBondContact O-N 2.86Å; K77-H81 PolarHBondContact O-CD2 2.77Å; K77-H81 PolarHBondContact O-N 3.13Å |
| 78 | Q | 56.8 | Low | 56.8 | Low | 78 Ų | 78 | 64.7 Ų | 64.7 | 36% | 0.364 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.1 | -42 | 171.3 | -71.1 | -179 | -15.4 | 0 | 0 | 112.6 | N74 S75 H81 A82 | N74-Q78 PolarHBondContact O-N 2.89Å; N74-Q78 VanDerWaalsContact O-N 3.1Å; S75-Q78 PolarHBondContact O-N 2.92Å; Q78-H81 WeakPolarHBondContact O-CB 3.49Å; Q78-H81 PolarHBondContact O-N 3.43Å; Q78-A82 PolarHBondContact O-N 3.43Å |
| 79 | R | 57.3 | Low | 57.6 | Low | 191 Ų | 191 | 66.1 Ų | 66.1 | 72% | 0.721 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.8 | -46.1 | 175.4 | -173.9 | -177.6 | 178.2 | 96.3 | 2.9 | 111.9 | S75 T76 K77 H81 A82 E83 | S75-R79 PolarHBondContact O-N 3.23Å; T76-R79 PolarHBondContact O-N 3.48Å; K77-R79 VanDerWaalsContact C-N 3.33Å; K77-R79 PolarHBondContact O-N 2.84Å; R79-H81 PolarHBondContact O-N 2.88Å; R79-A82 PolarHBondContact O-N 2.88Å; R79-E83 PolarHBondContact O-N 3.26Å |
| 80 | L | 58.8 | Low | 58.3 | Low | 95 Ų | 95 | 65.7 Ų | 65.7 | 50% | 0.497 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.1 | -33.9 | 175.7 | -71.5 | 173.6 | 0 | 0 | 0 | 111.8 | T76 K77 L84 | T76-L80 WeakPolarHBondContact O-CG 3.49Å; T76-L80 PolarHBondContact O-N 3.49Å; K77-L80 PolarHBondContact O-N 2.86Å; L80-L84 WeakPolarHBondContact O-CB 3.3Å; L80-L84 PolarHBondContact O-N 2.79Å |
| 81 | H | 53.7 | Low | 58.9 | Low | 10 Ų | 10 | 65.2 Ų | 65.2 | 5% | 0.046 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.5 | -43 | 172.6 | -81.7 | -63.1 | 0 | 0 | 0 | 113.5 | I64 T68 T71 K77 Q78 R79 E83 L84 T85 | I64-H81 PolarHBondContact O-CE1 3.16Å; T68-H81 PolarHBondContact OG1-CE1 2.91Å; T71-H81 WeakPolarHBondContact CG2-CD2 3.23Å; T71-H81 WeakPolarHBondContact CG2-NE2 3.32Å; K77-H81 PolarHBondContact O-CD2 2.77Å; K77-H81 PolarHBondContact O-N 3.13Å; Q78-H81 WeakPolarHBondContact O-CB 3.49Å; Q78-H81 PolarHBondContact O-N 3.43Å; R79-H81 PolarHBondContact O-N 2.88Å; H81-E83 VanDerWaalsContact C-N 3.34Å; H81-L84 PolarHBondContact O-N 3.16Å; H81-T85 VanDerWaalsContact O-CB 3.28Å; H81-T85 WeakPolarHBondContact O-CB 3.28Å; H81-T85 PolarHBondContact O-N 3.33Å; H81-T85 PolarHBondContact O-OG1 3.02Å |
| 82 | A | 62.6 | Low | 59.9 | Low | 62 Ų | 62 | 65.8 Ų | 65.8 | 51% | 0.512 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.2 | -48.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q78 R79 L84 T85 E86 | Q78-A82 PolarHBondContact O-N 3.43Å; R79-A82 PolarHBondContact O-N 2.88Å; A82-L84 VanDerWaalsContact C-N 3.34Å; A82-L84 PolarHBondContact O-N 2.95Å; A82-T85 PolarHBondContact O-N 3.35Å; A82-E86 PolarHBondContact O-N 3.24Å |
| 83 | E | 64 | Low | 60.8 | Low | 101 Ų | 101 | 69.8 Ų | 69.8 | 47% | 0.472 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 176.9 | -173 | 179.5 | 174 | 0 | 0 | 111.9 | R79 H81 E86 N87 | R79-E83 PolarHBondContact O-N 3.26Å; H81-E83 VanDerWaalsContact C-N 3.34Å; E83-E86 PolarHBondContact O-N 2.99Å; E83-N87 VanDerWaalsContact O-CG 3.29Å; E83-N87 PolarHBondContact O-N 2.99Å; E83-N87 PolarHBondContact O-ND2 2.82Å |
| 84 | L | 63.5 | Low | 61.8 | Low | 26 Ų | 26 | 71.2 Ų | 71.2 | 14% | 0.136 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -70.9 | -33.9 | 178.3 | -170.4 | 48.9 | 0 | 0 | 0 | 112.1 | Y60 I64 L80 H81 A82 N87 V88 | Y60-L84 HydrophobicContact CD1-CD1 4.19Å; Y60-L84 HydrophobicContact CG-CD1 4.44Å; I64-L84 HydrophobicContact CB-CD2 4.31Å; I64-L84 HydrophobicContact CD1-CB 4.5Å; I64-L84 HydrophobicContact CD1-CD1 4.5Å; I64-L84 HydrophobicContact CD1-CD2 4.04Å; I64-L84 HydrophobicContact CD1-CG 3.63Å; I64-L84 HydrophobicContact CG1-CB 4.26Å; I64-L84 HydrophobicContact CG1-CD1 4.42Å; I64-L84 HydrophobicContact CG1-CD2 3.16Å; I64-L84 HydrophobicContact CG1-CG 3.34Å; L80-L84 WeakPolarHBondContact O-CB 3.3Å; L80-L84 PolarHBondContact O-N 2.79Å; H81-L84 PolarHBondContact O-N 3.16Å; A82-L84 VanDerWaalsContact C-N 3.34Å; A82-L84 PolarHBondContact O-N 2.95Å; L84-N87 PolarHBondContact O-N 2.67Å; L84-V88 WeakPolarHBondContact O-CB 3.49Å; L84-V88 VanDerWaalsContact O-CG2 3.23Å; L84-V88 WeakPolarHBondContact O-CG2 3.12Å; L84-V88 PolarHBondContact O-N 3.42Å |
| 85 | T | 62.5 | Low | 62.1 | Low | 50 Ų | 50 | 68.4 Ų | 68.4 | 31% | 0.307 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.9 | -41.7 | 174.4 | -56.9 | 0 | 0 | 0 | 0 | 110.8 | H81 A82 V88 T89 | H81-T85 VanDerWaalsContact O-CB 3.28Å; H81-T85 WeakPolarHBondContact O-CB 3.28Å; H81-T85 PolarHBondContact O-N 3.33Å; H81-T85 PolarHBondContact O-OG1 3.02Å; A82-T85 PolarHBondContact O-N 3.35Å; T85-V88 WeakPolarHBondContact O-CB 3.37Å; T85-V88 PolarHBondContact O-N 3.36Å; T85-T89 WeakPolarHBondContact O-CG2 3.36Å; T85-T89 PolarHBondContact O-N 3.29Å |
| 86 | E | 65.9 | Low | 62.7 | Low | 125 Ų | 125 | 66.7 Ų | 66.7 | 58% | 0.584 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -63.1 | -44.9 | 174.3 | -174.8 | 177.4 | -177 | 0 | 0 | 111.5 | A82 E83 V88 T89 V90 | A82-E86 PolarHBondContact O-N 3.24Å; E83-E86 PolarHBondContact O-N 2.99Å; E86-V88 VanDerWaalsContact C-N 3.25Å; E86-V88 PolarHBondContact O-N 3.17Å; E86-T89 PolarHBondContact O-N 3.35Å; E86-T89 VanDerWaalsContact O-N 3.12Å; E86-T89 PolarHBondContact O-OG1 3.07Å; E86-V90 WeakPolarHBondContact O-CG2 3.45Å; E86-V90 PolarHBondContact O-N 3.29Å |
| 87 | N | 63.9 | Low | 63.4 | Low | 91 Ų | 91 | 67.5 Ų | 67.5 | 49% | 0.487 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.3 | -37.7 | 174.3 | -72.4 | -28.9 | 0 | 0 | 0 | 112.1 | E83 L84 L91 | E83-N87 VanDerWaalsContact O-CG 3.29Å; E83-N87 PolarHBondContact O-N 2.99Å; E83-N87 PolarHBondContact O-ND2 2.82Å; L84-N87 PolarHBondContact O-N 2.67Å; N87-L91 WeakPolarHBondContact O-CB 3.22Å; N87-L91 PolarHBondContact O-N 2.68Å |
| 88 | V | 64.3 | Low | 63.9 | Low | 4 Ų | 4 | 65.4 Ų | 65.4 | 2% | 0.024 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.3 | -40.4 | 174.3 | 163.8 | 0 | 0 | 0 | 0 | 111.7 | L57 I64 L84 T85 E86 L91 I92 R157 | L57-V88 HydrophobicContact CD1-CB 3.98Å; L57-V88 HydrophobicContact CD1-CG1 3.74Å; L57-V88 HydrophobicContact CD1-CG2 3.61Å; I64-V88 HydrophobicContact CD1-CG2 3.79Å; L84-V88 WeakPolarHBondContact O-CB 3.49Å; L84-V88 VanDerWaalsContact O-CG2 3.23Å; L84-V88 WeakPolarHBondContact O-CG2 3.12Å; L84-V88 PolarHBondContact O-N 3.42Å; T85-V88 WeakPolarHBondContact O-CB 3.37Å; T85-V88 PolarHBondContact O-N 3.36Å; E86-V88 VanDerWaalsContact C-N 3.25Å; E86-V88 PolarHBondContact O-N 3.17Å; V88-L91 PolarHBondContact O-N 3.39Å; V88-I92 HydrophobicContact CG1-CD1 3.72Å; V88-I92 HydrophobicContact CG1-CG1 4.31Å; V88-I92 WeakPolarHBondContact O-CB 3.47Å; V88-I92 VanDerWaalsContact O-CG1 3.3Å; V88-I92 WeakPolarHBondContact O-CG1 3.29Å; V88-I92 PolarHBondContact O-N 3.37Å; V88-R157 HydrophobicContact CG1-CG 4.04Å |
| 89 | T | 67.3 | Low | 64.4 | Low | 34 Ų | 34 | 62.3 Ų | 62.3 | 21% | 0.209 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.6 | -46.9 | 178.3 | 62.4 | 0 | 0 | 0 | 0 | 111.1 | T85 E86 L91 I92 E93 | T85-T89 WeakPolarHBondContact O-CG2 3.36Å; T85-T89 PolarHBondContact O-N 3.29Å; E86-T89 PolarHBondContact O-N 3.35Å; E86-T89 VanDerWaalsContact O-N 3.12Å; E86-T89 PolarHBondContact O-OG1 3.07Å; T89-L91 VanDerWaalsContact C-N 3.28Å; T89-L91 PolarHBondContact O-N 2.83Å; T89-I92 PolarHBondContact O-N 2.83Å; T89-E93 WeakPolarHBondContact O-CB 3.12Å; T89-E93 WeakPolarHBondContact O-CG 3.32Å; T89-E93 PolarHBondContact O-N 2.82Å |
| 90 | V | 67.4 | Low | 65 | Low | 63 Ų | 63 | 56 Ų | 56 | 38% | 0.382 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 177 | 174.6 | 0 | 0 | 0 | 0 | 110.5 | E86 E93 Q94 | E86-V90 WeakPolarHBondContact O-CG2 3.45Å; E86-V90 PolarHBondContact O-N 3.29Å; V90-E93 PolarHBondContact O-N 3.43Å; V90-Q94 WeakPolarHBondContact O-CB 3.4Å; V90-Q94 VanDerWaalsContact O-CG 3.26Å; V90-Q94 WeakPolarHBondContact O-CG 3.35Å; V90-Q94 PolarHBondContact O-N 3.19Å |
| 91 | L | 63 | Low | 65.5 | Low | 23 Ų | 23 | 55.7 Ų | 55.7 | 12% | 0.12 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.6 | -38.2 | 179.8 | -170 | 55.9 | 0 | 0 | 0 | 112.6 | V56 L57 Y60 N87 V88 T89 Q94 C95 | V56-L91 HydrophobicContact CG1-CD2 4.45Å; L57-L91 HydrophobicContact CB-CD2 3.55Å; L57-L91 HydrophobicContact CB-CG 4.19Å; L57-L91 HydrophobicContact CD1-CB 4.47Å; L57-L91 HydrophobicContact CD1-CD2 3.98Å; L57-L91 HydrophobicContact CD1-CG 4.47Å; L57-L91 HydrophobicContact CD2-CG 4.36Å; L57-L91 HydrophobicContact CG-CD2 4.18Å; Y60-L91 HydrophobicContact CD2-CD2 4.39Å; N87-L91 WeakPolarHBondContact O-CB 3.22Å; N87-L91 PolarHBondContact O-N 2.68Å; V88-L91 PolarHBondContact O-N 3.39Å; T89-L91 VanDerWaalsContact C-N 3.28Å; T89-L91 PolarHBondContact O-N 2.83Å; L91-Q94 PolarHBondContact O-N 2.85Å; L91-C95 WeakPolarHBondContact O-CB 3.39Å; L91-C95 PolarHBondContact O-N 3.31Å; L91-C95 PolarHBondContact O-SG 3.31Å |
| 92 | I | 64.3 | Low | 66.1 | Low | 16 Ų | 16 | 55.2 Ų | 55.2 | 8% | 0.082 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.5 | -46 | 172.2 | -70.7 | 170.2 | 0 | 0 | 0 | 109.8 | L57 V88 T89 Q94 C95 T96 K154 R157 | L57-I92 HydrophobicContact CD2-CD1 4.44Å; L57-I92 HydrophobicContact CD2-CG1 3.57Å; V88-I92 HydrophobicContact CG1-CD1 3.72Å; V88-I92 HydrophobicContact CG1-CG1 4.31Å; V88-I92 WeakPolarHBondContact O-CB 3.47Å; V88-I92 VanDerWaalsContact O-CG1 3.3Å; V88-I92 WeakPolarHBondContact O-CG1 3.29Å; V88-I92 PolarHBondContact O-N 3.37Å; T89-I92 PolarHBondContact O-N 2.83Å; I92-Q94 PolarHBondContact O-N 3.42Å; I92-C95 CarbonylContact O-C 3.59Å; I92-C95 PolarHBondContact O-N 3.01Å; I92-C95 VanDerWaalsContact O-N 3.16Å; I92-T96 HydrophobicContact CG2-CG2 4.23Å; I92-T96 WeakPolarHBondContact O-CG2 3.17Å; I92-T96 PolarHBondContact O-N 3.15Å; I92-T96 PolarHBondContact O-OG1 2.83Å; I92-K154 HydrophobicContact CG2-CG 4.16Å; I92-R157 HydrophobicContact CD1-CB 4.15Å; I92-R157 HydrophobicContact CD1-CG 3.84Å |
| 93 | E | 68.5 | Low | 66.5 | Low | 123 Ų | 123 | 57.6 Ų | 57.6 | 58% | 0.575 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -57.9 | -47.5 | 176.3 | -75.9 | 172 | -165.7 | 0 | 0 | 111.2 | T89 V90 C95 T96 L97 | T89-E93 WeakPolarHBondContact O-CB 3.12Å; T89-E93 WeakPolarHBondContact O-CG 3.32Å; T89-E93 PolarHBondContact O-N 2.82Å; V90-E93 PolarHBondContact O-N 3.43Å; E93-C95 VanDerWaalsContact C-N 3.34Å; E93-C95 PolarHBondContact O-N 3.19Å; E93-T96 WeakPolarHBondContact CA-OG1 3.41Å; E93-T96 PolarHBondContact O-N 2.99Å; E93-T96 PolarHBondContact O-OG1 3.34Å; E93-L97 WeakPolarHBondContact O-CB 3.39Å; E93-L97 PolarHBondContact O-N 3.05Å |
| 94 | Q | 69.5 | Low | 66.8 | Low | 101 Ų | 101 | 57.7 Ų | 57.7 | 47% | 0.472 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.1 | -43.8 | 173.9 | -73.1 | 174 | 9.9 | 0 | 0 | 112.3 | V90 L91 I92 L97 L98 | V90-Q94 WeakPolarHBondContact O-CB 3.4Å; V90-Q94 VanDerWaalsContact O-CG 3.26Å; V90-Q94 WeakPolarHBondContact O-CG 3.35Å; V90-Q94 PolarHBondContact O-N 3.19Å; L91-Q94 PolarHBondContact O-N 2.85Å; I92-Q94 PolarHBondContact O-N 3.42Å; Q94-L97 PolarHBondContact O-N 3.19Å; Q94-L98 WeakPolarHBondContact O-CB 3.48Å; Q94-L98 WeakPolarHBondContact O-CG 3.39Å; Q94-L98 PolarHBondContact O-N 3.38Å |
| 95 | C | 61.2 | Low | 66.9 | Low | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.007 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.3 | -39.2 | 177.4 | -67.9 | 0 | 0 | 0 | 0 | 112 | L91 I92 E93 L98 L99 L150 | L91-C95 WeakPolarHBondContact O-CB 3.39Å; L91-C95 PolarHBondContact O-N 3.31Å; L91-C95 PolarHBondContact O-SG 3.31Å; I92-C95 CarbonylContact O-C 3.59Å; I92-C95 PolarHBondContact O-N 3.01Å; I92-C95 VanDerWaalsContact O-N 3.16Å; E93-C95 VanDerWaalsContact C-N 3.34Å; E93-C95 PolarHBondContact O-N 3.19Å; C95-L98 PolarHBondContact O-N 3.12Å; C95-L99 PolarHBondContact O-N 3.01Å; C95-L150 HydrophobicContact CB-CD1 3.72Å; C95-L150 HydrophobicContact CB-CD2 4.36Å |
| 96 | T | 69.7 | Low | 67.1 | Low | 52 Ų | 52 | 55.5 Ų | 55.5 | 32% | 0.319 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.5 | -39 | 175.3 | 58.8 | 0 | 0 | 0 | 0 | 111.9 | I92 E93 L99 A100 L150 | I92-T96 HydrophobicContact CG2-CG2 4.23Å; I92-T96 WeakPolarHBondContact O-CG2 3.17Å; I92-T96 PolarHBondContact O-N 3.15Å; I92-T96 PolarHBondContact O-OG1 2.83Å; E93-T96 WeakPolarHBondContact CA-OG1 3.41Å; E93-T96 PolarHBondContact O-N 2.99Å; E93-T96 PolarHBondContact O-OG1 3.34Å; T96-L99 PolarHBondContact O-N 3.42Å; T96-A100 WeakPolarHBondContact O-CB 3.48Å; T96-A100 PolarHBondContact O-N 2.83Å; T96-L150 HydrophobicContact CG2-CD2 3.74Å |
| 97 | L | 71.1 | Confident | 66.9 | Low | 97 Ų | 97 | 53.8 Ų | 53.8 | 51% | 0.508 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64 | -48.6 | 174.6 | -172.5 | 156.3 | 0 | 0 | 0 | 109.8 | E93 Q94 L99 A100 Q101 | E93-L97 WeakPolarHBondContact O-CB 3.39Å; E93-L97 PolarHBondContact O-N 3.05Å; Q94-L97 PolarHBondContact O-N 3.19Å; L97-L99 VanDerWaalsContact C-N 3.32Å; L97-L99 PolarHBondContact O-N 2.78Å; L97-A100 WeakPolarHBondContact O-CB 3.48Å; L97-A100 PolarHBondContact O-N 2.76Å; L97-Q101 VanDerWaalsContact CD2-CD 3.43Å; L97-Q101 HydrophobicContact CD2-CG 3.71Å; L97-Q101 WeakPolarHBondContact O-CG 3.28Å; L97-Q101 PolarHBondContact O-N 3.35Å |
| 98 | L | 67.8 | Low | 67.2 | Low | 30 Ų | 30 | 51.8 Ų | 51.8 | 16% | 0.157 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.9 | -39.2 | 177.5 | -77.5 | 175 | 0 | 0 | 0 | 112.1 | R46 L50 Q94 C95 L102 | R46-L98 HydrophobicContact CG-CD2 3.98Å; R46-L98 PolarHBondContact NH2-O 3.25Å; L50-L98 HydrophobicContact CB-CD1 4.29Å; L50-L98 HydrophobicContact CD1-CB 3.66Å; Q94-L98 WeakPolarHBondContact O-CB 3.48Å; Q94-L98 WeakPolarHBondContact O-CG 3.39Å; Q94-L98 PolarHBondContact O-N 3.38Å; C95-L98 PolarHBondContact O-N 3.12Å; L98-L102 WeakPolarHBondContact O-CB 3.44Å; L98-L102 VanDerWaalsContact O-CG 3.28Å; L98-L102 WeakPolarHBondContact O-CG 3.19Å; L98-L102 PolarHBondContact O-N 2.86Å |
| 99 | L | 66 | Low | 67.1 | Low | 14 Ų | 14 | 52.7 Ų | 52.7 | 7% | 0.073 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 170.7 | -77.8 | -173.3 | 0 | 0 | 0 | 112 | L50 C95 T96 L97 Q101 L102 K103 L146 L150 | L50-L99 HydrophobicContact CD1-CD2 3.74Å; L50-L99 HydrophobicContact CD1-CG 3.79Å; C95-L99 PolarHBondContact O-N 3.01Å; T96-L99 PolarHBondContact O-N 3.42Å; L97-L99 VanDerWaalsContact C-N 3.32Å; L97-L99 PolarHBondContact O-N 2.78Å; L99-Q101 PolarHBondContact O-N 3.19Å; L99-L102 WeakPolarHBondContact O-CB 3.34Å; L99-L102 PolarHBondContact O-N 2.71Å; L99-L102 VanDerWaalsContact O-N 3.08Å; L99-K103 WeakPolarHBondContact O-CB 3.24Å; L99-K103 PolarHBondContact O-N 2.93Å; L99-L146 HydrophobicContact CD2-CB 3.97Å; L99-L150 HydrophobicContact CD1-CB 4.04Å; L99-L150 HydrophobicContact CD1-CD2 3.26Å; L99-L150 HydrophobicContact CD1-CG 4.26Å; L99-L150 HydrophobicContact CG-CD2 4.1Å |
| 100 | A | 70 | Confident | 67 | Low | 59 Ų | 59 | 56 Ų | 56 | 49% | 0.488 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.1 | -46.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T96 L97 L102 K103 D104 | T96-A100 WeakPolarHBondContact O-CB 3.48Å; T96-A100 PolarHBondContact O-N 2.83Å; L97-A100 WeakPolarHBondContact O-CB 3.48Å; L97-A100 PolarHBondContact O-N 2.76Å; A100-L102 VanDerWaalsContact C-N 3.31Å; A100-L102 PolarHBondContact O-N 3.31Å; A100-K103 WeakPolarHBondContact O-CB 3.47Å; A100-K103 PolarHBondContact O-N 3.13Å; A100-D104 PolarHBondContact O-N 3.16Å |
| 101 | Q | 70.3 | Confident | 66.8 | Low | 87 Ų | 87 | 56.9 Ų | 56.9 | 41% | 0.407 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -78.8 | -10.4 | 177.8 | 21.2 | 149.2 | -93.6 | 0 | 0 | 113.3 | R46 L97 L99 L105 | R46-Q101 VanDerWaalsContact CZ-CB 3.49Å; R46-Q101 VanDerWaalsContact CZ-CD 3.42Å; R46-Q101 VanDerWaalsContact NE-OE1 3.11Å; R46-Q101 VanDerWaalsContact NH1-CB 3.34Å; R46-Q101 PolarHBondContact NH1-O 3.1Å; R46-Q101 VanDerWaalsContact NH1-O 3.1Å; L97-Q101 VanDerWaalsContact CD2-CD 3.43Å; L97-Q101 HydrophobicContact CD2-CG 3.71Å; L97-Q101 WeakPolarHBondContact O-CG 3.28Å; L97-Q101 PolarHBondContact O-N 3.35Å; L99-Q101 PolarHBondContact O-N 3.19Å; Q101-L105 PolarHBondContact O-N 3.05Å |
| 102 | L | 64.8 | Low | 66.6 | Low | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -78.4 | -41.2 | 165.4 | -78.3 | 170.8 | 0 | 0 | 0 | 110.5 | F43 R46 L50 L98 L99 A100 D104 L105 I106 | F43-L102 HydrophobicContact CD2-CD2 3.64Å; F43-L102 HydrophobicContact CE2-CD2 3.67Å; F43-L102 HydrophobicContact CG-CD2 4.33Å; F43-L102 HydrophobicContact CZ-CD2 4.39Å; R46-L102 HydrophobicContact CB-CD2 4.16Å; R46-L102 HydrophobicContact CG-CD2 4.07Å; R46-L102 HydrophobicContact CG-CG 4.36Å; R46-L102 VanDerWaalsContact NH2-N 3.15Å; L50-L102 HydrophobicContact CD1-CD1 4.38Å; L98-L102 WeakPolarHBondContact O-CB 3.44Å; L98-L102 VanDerWaalsContact O-CG 3.28Å; L98-L102 WeakPolarHBondContact O-CG 3.19Å; L98-L102 PolarHBondContact O-N 2.86Å; L99-L102 WeakPolarHBondContact O-CB 3.34Å; L99-L102 PolarHBondContact O-N 2.71Å; L99-L102 VanDerWaalsContact O-N 3.08Å; A100-L102 VanDerWaalsContact C-N 3.31Å; A100-L102 PolarHBondContact O-N 3.31Å; L102-D104 VanDerWaalsContact C-N 3.3Å; L102-D104 PolarHBondContact O-N 3.12Å; L102-L105 WeakPolarHBondContact O-CB 3.26Å; L102-L105 PolarHBondContact O-N 2.98Å; L102-I106 WeakPolarHBondContact O-CG1 3.48Å; L102-I106 PolarHBondContact O-N 3.42Å |
| 103 | K | 70.9 | Confident | 66.5 | Low | 112 Ų | 112 | 61 Ų | 61 | 49% | 0.487 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.7 | -44.8 | 172.1 | -176.3 | -177.3 | 173.6 | -174.9 | 0 | 110.9 | L99 A100 L105 I106 H107 | L99-K103 WeakPolarHBondContact O-CB 3.24Å; L99-K103 PolarHBondContact O-N 2.93Å; A100-K103 WeakPolarHBondContact O-CB 3.47Å; A100-K103 PolarHBondContact O-N 3.13Å; K103-L105 VanDerWaalsContact C-N 3.34Å; K103-L105 PolarHBondContact O-N 2.69Å; K103-I106 PolarHBondContact O-N 3.3Å; K103-H107 WeakPolarHBondContact CE-NE2 3.39Å; K103-H107 PolarHBondContact O-CD2 3.28Å; K103-H107 PolarHBondContact O-N 3.03Å |
| 104 | D | 70.5 | Confident | 66 | Low | 103 Ų | 103 | 60.6 Ų | 60.6 | 55% | 0.551 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.7 | -39.7 | 176.3 | -165.7 | 39.1 | 0 | 0 | 0 | 112.4 | A100 L102 I106 H107 T108 | A100-D104 PolarHBondContact O-N 3.16Å; L102-D104 VanDerWaalsContact C-N 3.3Å; L102-D104 PolarHBondContact O-N 3.12Å; D104-I106 VanDerWaalsContact C-N 3.31Å; D104-I106 PolarHBondContact O-N 3.49Å; D104-H107 PolarHBondContact O-N 2.8Å; D104-T108 WeakPolarHBondContact O-CB 3.44Å; D104-T108 PolarHBondContact O-N 3.29Å; D104-T108 PolarHBondContact O-OG1 3.47Å |
| 105 | L | 66.2 | Low | 65.4 | Low | 19 Ų | 19 | 59.8 Ų | 59.8 | 10% | 0.099 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.5 | -37.1 | 175 | -157.9 | 65.2 | 0 | 0 | 0 | 112.2 | Y39 F43 Q101 L102 K103 T109 | Y39-L105 HydrophobicContact CD1-CD1 3.99Å; Y39-L105 HydrophobicContact CD1-CG 4.45Å; Y39-L105 HydrophobicContact CE1-CD1 3.1Å; Y39-L105 HydrophobicContact CE1-CG 3.85Å; Y39-L105 HydrophobicContact CE2-CD1 4.46Å; Y39-L105 VanDerWaalsContact OH-CD1 3.28Å; Y39-L105 WeakPolarHBondContact OH-CD1 3.39Å; F43-L105 HydrophobicContact CB-CD2 3.68Å; F43-L105 HydrophobicContact CD2-CD2 3.91Å; F43-L105 HydrophobicContact CG-CD2 4.29Å; Q101-L105 PolarHBondContact O-N 3.05Å; L102-L105 WeakPolarHBondContact O-CB 3.26Å; L102-L105 PolarHBondContact O-N 2.98Å; K103-L105 VanDerWaalsContact C-N 3.34Å; K103-L105 PolarHBondContact O-N 2.69Å; L105-T109 WeakPolarHBondContact O-CB 3.37Å; L105-T109 PolarHBondContact O-N 3.1Å; L105-T109 PolarHBondContact O-OG1 3.42Å |
| 106 | I | 66.2 | Low | 65 | Low | 11 Ų | 11 | 62.1 Ų | 62.1 | 6% | 0.056 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.7 | -43 | 175.3 | -67.6 | 166.1 | 0 | 0 | 0 | 111.1 | F43 L102 K103 D104 T109 K110 R139 L140 H143 | F43-I106 HydrophobicContact CE2-CD1 4.03Å; F43-I106 HydrophobicContact CE2-CG1 3.95Å; L102-I106 WeakPolarHBondContact O-CG1 3.48Å; L102-I106 PolarHBondContact O-N 3.42Å; K103-I106 PolarHBondContact O-N 3.3Å; D104-I106 VanDerWaalsContact C-N 3.31Å; D104-I106 PolarHBondContact O-N 3.49Å; I106-T109 WeakPolarHBondContact O-CB 3.4Å; I106-T109 PolarHBondContact O-N 2.78Å; I106-K110 PolarHBondContact O-N 3.14Å; I106-R139 HydrophobicContact CD1-CB 4.49Å; I106-R139 HydrophobicContact CG1-CB 4.25Å; I106-L140 HydrophobicContact CG2-CD2 3.7Å; I106-L140 HydrophobicContact CG2-CG 3.95Å; I106-H143 HydrophobicContact CD1-CB 3.53Å |
| 107 | H | 63.1 | Low | 64.4 | Low | 90 Ų | 90 | 64.9 Ų | 64.9 | 42% | 0.417 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 175 | -77.4 | -65.7 | 0 | 0 | 0 | 111.5 | K103 D104 T109 K110 D111 | K103-H107 WeakPolarHBondContact CE-NE2 3.39Å; K103-H107 PolarHBondContact O-CD2 3.28Å; K103-H107 PolarHBondContact O-N 3.03Å; D104-H107 PolarHBondContact O-N 2.8Å; H107-T109 VanDerWaalsContact C-N 3.29Å; H107-T109 PolarHBondContact O-N 2.99Å; H107-K110 WeakPolarHBondContact O-CB 3.38Å; H107-K110 PolarHBondContact O-N 3.42Å; H107-D111 PolarHBondContact O-N 3.45Å |
| 108 | T | 68.6 | Low | 63.6 | Low | 48 Ų | 48 | 64.4 Ų | 64.4 | 29% | 0.294 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -57.1 | -43.2 | 173.7 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | D104 K110 D111 I112 | D104-T108 WeakPolarHBondContact O-CB 3.44Å; D104-T108 PolarHBondContact O-N 3.29Å; D104-T108 PolarHBondContact O-OG1 3.47Å; T108-K110 VanDerWaalsContact C-N 3.34Å; T108-K110 PolarHBondContact O-N 3.12Å; T108-D111 PolarHBondContact O-N 3.06Å; T108-I112 HydrophobicContact CG2-CD1 4.16Å; T108-I112 WeakPolarHBondContact O-CD1 3.41Å; T108-I112 VanDerWaalsContact O-CG1 3.28Å; T108-I112 WeakPolarHBondContact O-CG1 3.24Å; T108-I112 PolarHBondContact O-N 3.22Å; T108-I112 VanDerWaalsContact O-N 3.12Å |
| 109 | T | 63.5 | Low | 62.9 | Low | 23 Ų | 23 | 68.5 Ų | 68.5 | 14% | 0.141 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.1 | -39.2 | 176.3 | -53 | 0 | 0 | 0 | 0 | 111.9 | L105 I106 H107 S113 I136 R139 | L105-T109 WeakPolarHBondContact O-CB 3.37Å; L105-T109 PolarHBondContact O-N 3.1Å; L105-T109 PolarHBondContact O-OG1 3.42Å; I106-T109 WeakPolarHBondContact O-CB 3.4Å; I106-T109 PolarHBondContact O-N 2.78Å; H107-T109 VanDerWaalsContact C-N 3.29Å; H107-T109 PolarHBondContact O-N 2.99Å; T109-S113 PolarHBondContact O-N 2.99Å; T109-S113 VanDerWaalsContact O-N 3.16Å; T109-I136 HydrophobicContact CG2-CD1 4.3Å; T109-I136 HydrophobicContact CG2-CG1 3.78Å; T109-R139 PolarHBondContact OG1-NH1 3Å |
| 110 | K | 65.5 | Low | 62.2 | Low | 103 Ų | 103 | 70.7 Ų | 70.7 | 45% | 0.448 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -70.9 | -35.8 | 179.3 | -174 | 178.9 | -176.6 | 176.6 | 0 | 112.8 | I106 H107 T108 S113 K114 | I106-K110 PolarHBondContact O-N 3.14Å; H107-K110 WeakPolarHBondContact O-CB 3.38Å; H107-K110 PolarHBondContact O-N 3.42Å; T108-K110 VanDerWaalsContact C-N 3.34Å; T108-K110 PolarHBondContact O-N 3.12Å; K110-S113 PolarHBondContact O-N 2.78Å; K110-S113 PolarHBondContact O-OG 3.25Å; K110-K114 WeakPolarHBondContact O-CG 3.49Å; K110-K114 PolarHBondContact O-N 3.18Å; K110-K114 VanDerWaalsContact O-N 3.17Å |
| 111 | D | 63.1 | Low | 61.3 | Low | 83 Ų | 83 | 73 Ų | 73 | 44% | 0.444 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -71.9 | -38.2 | 177.9 | -68.8 | -30.7 | 0 | 0 | 0 | 111 | H107 T108 S113 K114 V115 | H107-D111 PolarHBondContact O-N 3.45Å; T108-D111 PolarHBondContact O-N 3.06Å; D111-S113 VanDerWaalsContact C-N 3.32Å; D111-S113 PolarHBondContact O-N 2.84Å; D111-K114 PolarHBondContact O-N 2.64Å; D111-K114 IonicContact OD1-NZ 3.67Å; D111-V115 WeakPolarHBondContact O-CG2 3.33Å; D111-V115 PolarHBondContact O-N 2.77Å; D111-V115 VanDerWaalsContact O-N 3.1Å |
| 112 | I | 58.9 | Low | 60.6 | Low | 103 Ų | 103 | 75.4 Ų | 75.4 | 53% | 0.528 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -57.9 | -44.4 | 170.4 | -66 | 164.9 | 0 | 0 | 0 | 110.7 | T108 K114 V115 D116 | T108-I112 HydrophobicContact CG2-CD1 4.16Å; T108-I112 WeakPolarHBondContact O-CD1 3.41Å; T108-I112 VanDerWaalsContact O-CG1 3.28Å; T108-I112 WeakPolarHBondContact O-CG1 3.24Å; T108-I112 PolarHBondContact O-N 3.22Å; T108-I112 VanDerWaalsContact O-N 3.12Å; I112-K114 VanDerWaalsContact C-N 3.35Å; I112-K114 PolarHBondContact O-N 2.88Å; I112-V115 PolarHBondContact O-N 3.25Å; I112-D116 WeakPolarHBondContact O-CB 3.24Å; I112-D116 PolarHBondContact O-N 3.33Å |
| 113 | S | 60.9 | Low | 60 | Low | 21 Ų | 21 | 82.5 Ų | 82.5 | 15% | 0.147 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -66.4 | -33.4 | -179.6 | 73.6 | 0 | 0 | 0 | 0 | 113.5 | T109 K110 D111 D116 Q117 | T109-S113 PolarHBondContact O-N 2.99Å; T109-S113 VanDerWaalsContact O-N 3.16Å; K110-S113 PolarHBondContact O-N 2.78Å; K110-S113 PolarHBondContact O-OG 3.25Å; D111-S113 VanDerWaalsContact C-N 3.32Å; D111-S113 PolarHBondContact O-N 2.84Å; S113-D116 PolarHBondContact O-N 3.37Å; S113-Q117 WeakPolarHBondContact O-CG 3.29Å; S113-Q117 PolarHBondContact O-N 3.26Å |
| 114 | K | 59.5 | Low | 59.2 | Low | 116 Ų | 116 | 84 Ų | 84 | 50% | 0.504 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.2 | -41.9 | 174.6 | -73.1 | 176.8 | -177.8 | 171.6 | 0 | 111.8 | K110 D111 I112 D116 S118 | K110-K114 WeakPolarHBondContact O-CG 3.49Å; K110-K114 PolarHBondContact O-N 3.18Å; K110-K114 VanDerWaalsContact O-N 3.17Å; D111-K114 PolarHBondContact O-N 2.64Å; D111-K114 IonicContact OD1-NZ 3.67Å; I112-K114 VanDerWaalsContact C-N 3.35Å; I112-K114 PolarHBondContact O-N 2.88Å; K114-D116 VanDerWaalsContact C-N 3.34Å; K114-S118 PolarHBondContact O-N 3.24Å |
| 115 | V | 56 | Low | 58.5 | Low | 84 Ų | 84 | 82.1 Ų | 82.1 | 51% | 0.509 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 175.3 | 175.5 | 0 | 0 | 0 | 0 | 110.1 | D111 I112 Q117 S118 I119 | D111-V115 WeakPolarHBondContact O-CG2 3.33Å; D111-V115 PolarHBondContact O-N 2.77Å; D111-V115 VanDerWaalsContact O-N 3.1Å; I112-V115 PolarHBondContact O-N 3.25Å; V115-Q117 PolarHBondContact O-N 3.37Å; V115-S118 PolarHBondContact O-N 3.39Å; V115-S118 VanDerWaalsContact O-N 3.07Å; V115-S118 PolarHBondContact O-OG 3.14Å; V115-I119 HydrophobicContact CG1-CD1 3.93Å; V115-I119 PolarHBondContact O-N 3.36Å |
| 116 | D | 53 | Low | 58.2 | Low | 50 Ų | 50 | 86 Ų | 86 | 27% | 0.267 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.6 | -40 | -179.4 | -147.3 | 25.4 | 0 | 0 | 0 | 112 | I112 S113 K114 S118 I119 T120 K132 | I112-D116 WeakPolarHBondContact O-CB 3.24Å; I112-D116 PolarHBondContact O-N 3.33Å; S113-D116 PolarHBondContact O-N 3.37Å; K114-D116 VanDerWaalsContact C-N 3.34Å; D116-S118 PolarHBondContact O-N 3.03Å; D116-I119 PolarHBondContact O-N 3.4Å; D116-I119 VanDerWaalsContact O-N 3.13Å; D116-T120 WeakPolarHBondContact O-CB 3.33Å; D116-T120 PolarHBondContact O-N 3.28Å; D116-T120 PolarHBondContact O-OG1 2.74Å; D116-K132 IonicContact OD2-NZ 3.07Å; D116-K132 PolarHBondContact OD2-NZ 3.03Å |
| 117 | Q | 55.8 | Low | 58 | Low | 109 Ų | 109 | 91.4 Ų | 91.4 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.1 | -32.2 | 172.7 | -76.7 | 174.6 | 5 | 0 | 0 | 112.9 | S113 V115 | S113-Q117 WeakPolarHBondContact O-CG 3.29Å; S113-Q117 PolarHBondContact O-N 3.26Å; V115-Q117 PolarHBondContact O-N 3.37Å |
| 118 | S | 54.3 | Low | 58 | Low | 88 Ų | 88 | 91.5 Ų | 91.5 | 62% | 0.615 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -75.4 | -24.6 | 176.3 | 65.2 | 0 | 0 | 0 | 0 | 113.5 | K114 V115 D116 | K114-S118 PolarHBondContact O-N 3.24Å; V115-S118 PolarHBondContact O-N 3.39Å; V115-S118 VanDerWaalsContact O-N 3.07Å; V115-S118 PolarHBondContact O-OG 3.14Å; D116-S118 PolarHBondContact O-N 3.03Å |
| 119 | I | 54.1 | Low | 57.7 | Low | 116 Ų | 116 | 91.2 Ų | 91.2 | 60% | 0.595 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -91 | -32.9 | -179.9 | -63 | 171.9 | 0 | 0 | 0 | 111.4 | V115 D116 S121 | V115-I119 HydrophobicContact CG1-CD1 3.93Å; V115-I119 PolarHBondContact O-N 3.36Å; D116-I119 PolarHBondContact O-N 3.4Å; D116-I119 VanDerWaalsContact O-N 3.13Å; I119-S121 VanDerWaalsContact C-N 3.33Å; I119-S121 PolarHBondContact O-N 3.39Å; I119-S121 VanDerWaalsContact O-N 3.11Å |
| 120 | T | 50.4 | Low | 57.9 | Low | 59 Ų | 59 | 94.6 Ų | 94.6 | 36% | 0.362 | 52% | 0.516 | S | S | . | . | trans | -90.8 | 59.6 | -174.8 | 51 | 0 | 0 | 0 | 0 | 112.6 | D116 | D116-T120 WeakPolarHBondContact O-CB 3.33Å; D116-T120 PolarHBondContact O-N 3.28Å; D116-T120 PolarHBondContact O-OG1 2.74Å | ||
| 121 | S | 52.2 | Low | 58.3 | Low | 107 Ų | 107 | 94.6 Ų | 94.6 | 75% | 0.748 | 52% | 0.52 | S | S | * | . | trans | -86.1 | 7.6 | 165 | 59.5 | 0 | 0 | 0 | 0 | 113 | I119 | I119-S121 VanDerWaalsContact C-N 3.33Å; I119-S121 PolarHBondContact O-N 3.39Å; I119-S121 VanDerWaalsContact O-N 3.11Å | ||
| 122 | I | 54.8 | Low | 58.9 | Low | 139 Ų | 139 | 94.4 Ų | 94.4 | 71% | 0.713 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -131.5 | 101.2 | -170.4 | -49.7 | 177.5 | 0 | 0 | 0 | 109.1 | ||
| 123 | H | 53.2 | Low | 59.5 | Low | 149 Ų | 149 | 92.2 Ų | 92.2 | 69% | 0.69 | 51% | 0.505 | S | S | * | . | S | Bend | trans | 82.3 | 119.8 | 157.9 | -138 | -0.3 | 0 | 0 | 0 | 119 | D125 | H123-D125 VanDerWaalsContact C-N 3.31Å; H123-D125 PolarHBondContact O-N 3.12Å |
| 124 | D | 54 | Low | 60.1 | Low | 142 Ų | 142 | 97.2 Ų | 97.2 | 76% | 0.759 | 53% | 0.526 | S | S | * | . | S | Bend | trans | 46.1 | 17 | 153.1 | -62.4 | 5 | 0 | 0 | 0 | 121.8 | S126 | D124-S126 PolarHBondContact O-N 2.86Š|
| 125 | D | 54.6 | Low | 60.7 | Low | 64 Ų | 64 | 94 Ų | 94 | 34% | 0.342 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 10.3 | -177.5 | -85.4 | -23.7 | 0 | 0 | 0 | 116.3 | H123 N127 I128 S129 | H123-D125 VanDerWaalsContact C-N 3.31Å; H123-D125 PolarHBondContact O-N 3.12Å; D125-N127 VanDerWaalsContact C-N 3.26Å; D125-N127 PolarHBondContact O-N 2.77Å; D125-N127 VanDerWaalsContact O-N 3.16Å; D125-I128 PolarHBondContact O-N 2.96Å; D125-I128 VanDerWaalsContact O-N 3.13Å; D125-S129 WeakPolarHBondContact O-CB 3.25Å; D125-S129 PolarHBondContact O-N 3Å |
| 126 | S | 60 | Low | 61.6 | Low | 102 Ų | 102 | 90.9 Ų | 90.9 | 71% | 0.713 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -56.2 | -39.3 | -173.9 | 66.1 | 0 | 0 | 0 | 0 | 113 | D124 N130 | D124-S126 PolarHBondContact O-N 2.86Å; S126-N130 WeakPolarHBondContact O-CB 3.5Å; S126-N130 PolarHBondContact O-N 3.06Å |
| 127 | N | 62.9 | Low | 62.6 | Low | 124 Ų | 124 | 93.8 Ų | 93.8 | 66% | 0.663 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -73.5 | -38.2 | -179.3 | -154.2 | 8.4 | 0 | 0 | 0 | 112.3 | D125 N130 N131 | D125-N127 VanDerWaalsContact C-N 3.26Å; D125-N127 PolarHBondContact O-N 2.77Å; D125-N127 VanDerWaalsContact O-N 3.16Å; N127-N130 PolarHBondContact O-N 3.01Å; N127-N131 PolarHBondContact O-N 2.92Å |
| 128 | I | 62.2 | Low | 63.4 | Low | 91 Ų | 91 | 93.3 Ų | 93.3 | 47% | 0.467 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.3 | -44.4 | 177.3 | -64 | 179.5 | 0 | 0 | 0 | 110.3 | D125 N130 N131 K132 | D125-I128 PolarHBondContact O-N 2.96Å; D125-I128 VanDerWaalsContact O-N 3.13Å; I128-N130 VanDerWaalsContact C-N 3.31Å; I128-N130 PolarHBondContact O-N 3.3Å; I128-N131 PolarHBondContact O-N 3.44Å; I128-K132 HydrophobicContact CG2-CD 4.17Å; I128-K132 WeakPolarHBondContact O-CG 3.21Å; I128-K132 PolarHBondContact O-N 3.35Å |
| 129 | S | 62.1 | Low | 64.5 | Low | 42 Ų | 42 | 89.8 Ų | 89.8 | 29% | 0.294 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 175.3 | -173.6 | 0 | 0 | 0 | 0 | 111.4 | D125 K132 N133 | D125-S129 WeakPolarHBondContact O-CB 3.25Å; D125-S129 PolarHBondContact O-N 3Å; S129-K132 PolarHBondContact O-N 2.77Å; S129-N133 VanDerWaalsContact O-CG 3.23Å; S129-N133 PolarHBondContact O-N 2.94Å; S129-N133 PolarHBondContact O-ND2 3.03Å; S129-N133 VanDerWaalsContact O-ND2 3.09Å |
| 130 | N | 69.3 | Low | 65.4 | Low | 95 Ų | 95 | 88.1 Ų | 88.1 | 51% | 0.508 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 177.3 | -165.8 | 28.3 | 0 | 0 | 0 | 112.5 | S126 N127 I128 K132 N133 Q134 | S126-N130 WeakPolarHBondContact O-CB 3.5Å; S126-N130 PolarHBondContact O-N 3.06Å; N127-N130 PolarHBondContact O-N 3.01Å; I128-N130 VanDerWaalsContact C-N 3.31Å; I128-N130 PolarHBondContact O-N 3.3Å; N130-K132 PolarHBondContact O-N 2.95Å; N130-N133 PolarHBondContact O-N 3.44Å; N130-Q134 PolarHBondContact O-N 3.17Å |
| 131 | N | 73.5 | Confident | 66.6 | Low | 103 Ų | 103 | 88.8 Ų | 88.8 | 55% | 0.551 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.7 | -41.3 | 177.1 | -167.4 | 0.4 | 0 | 0 | 0 | 111.7 | N127 I128 N133 Q134 L135 | N127-N131 PolarHBondContact O-N 2.92Å; I128-N131 PolarHBondContact O-N 3.44Å; N131-N133 PolarHBondContact O-N 3.31Å; N131-Q134 PolarHBondContact O-N 3.01Å; N131-L135 PolarHBondContact O-N 3.13Å |
| 132 | K | 74.5 | Confident | 67.5 | Low | 79 Ų | 79 | 85.2 Ų | 85.2 | 34% | 0.343 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.8 | -45.4 | 173.1 | -73.6 | 173.3 | 178.1 | 172.1 | 0 | 111.8 | D116 I128 S129 N130 L135 I136 | D116-K132 IonicContact OD2-NZ 3.07Å; D116-K132 PolarHBondContact OD2-NZ 3.03Å; I128-K132 HydrophobicContact CG2-CD 4.17Å; I128-K132 WeakPolarHBondContact O-CG 3.21Å; I128-K132 PolarHBondContact O-N 3.35Å; S129-K132 PolarHBondContact O-N 2.77Å; N130-K132 PolarHBondContact O-N 2.95Å; K132-L135 PolarHBondContact O-N 3.2Å; K132-I136 VanDerWaalsContact O-CG1 3.3Å; K132-I136 WeakPolarHBondContact O-CG1 3.39Å; K132-I136 PolarHBondContact O-N 2.6Å |
| 133 | N | 72.2 | Confident | 68.3 | Low | 57 Ų | 57 | 80.1 Ų | 80.1 | 31% | 0.305 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 177.3 | -69.9 | -34 | 0 | 0 | 0 | 112 | S129 N130 N131 L135 I136 L137 | S129-N133 VanDerWaalsContact O-CG 3.23Å; S129-N133 PolarHBondContact O-N 2.94Å; S129-N133 PolarHBondContact O-ND2 3.03Å; S129-N133 VanDerWaalsContact O-ND2 3.09Å; N130-N133 PolarHBondContact O-N 3.44Å; N131-N133 PolarHBondContact O-N 3.31Å; N133-L135 VanDerWaalsContact C-N 3.35Å; N133-L135 PolarHBondContact O-N 3.33Å; N133-I136 PolarHBondContact O-N 3.35Å; N133-L137 WeakPolarHBondContact O-CG 3.43Å; N133-L137 PolarHBondContact O-N 2.93Å |
| 134 | Q | 74 | Confident | 69.4 | Low | 125 Ų | 125 | 79.9 Ų | 79.9 | 58% | 0.584 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -61.7 | -42 | 175.1 | -175 | 178.5 | -5.1 | 0 | 0 | 111.7 | N130 N131 I136 L137 H138 | N130-Q134 PolarHBondContact O-N 3.17Å; N131-Q134 PolarHBondContact O-N 3.01Å; Q134-I136 PolarHBondContact O-N 2.79Å; Q134-L137 PolarHBondContact O-N 3.48Å; Q134-H138 WeakPolarHBondContact O-CB 3.42Å; Q134-H138 PolarHBondContact O-N 3.39Å |
| 135 | L | 72.7 | Confident | 70.4 | Confident | 49 Ų | 49 | 78.3 Ų | 78.3 | 26% | 0.257 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 176 | -175.7 | 64.8 | 0 | 0 | 0 | 111.8 | N131 K132 N133 H138 R139 | N131-L135 PolarHBondContact O-N 3.13Å; K132-L135 PolarHBondContact O-N 3.2Å; N133-L135 VanDerWaalsContact C-N 3.35Å; N133-L135 PolarHBondContact O-N 3.33Å; L135-H138 PolarHBondContact O-N 2.72Å; L135-R139 WeakPolarHBondContact O-CB 3.42Å; L135-R139 VanDerWaalsContact O-CG 3.26Å; L135-R139 WeakPolarHBondContact O-CG 3.08Å; L135-R139 PolarHBondContact O-N 3.36Å |
| 136 | I | 74.1 | Confident | 71.2 | Confident | 19 Ų | 19 | 75.9 Ų | 75.9 | 10% | 0.097 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 175.2 | -67.7 | 164.5 | 0 | 0 | 0 | 110.5 | T109 K132 N133 Q134 R139 L140 | T109-I136 HydrophobicContact CG2-CD1 4.3Å; T109-I136 HydrophobicContact CG2-CG1 3.78Å; K132-I136 VanDerWaalsContact O-CG1 3.3Å; K132-I136 WeakPolarHBondContact O-CG1 3.39Å; K132-I136 PolarHBondContact O-N 2.6Å; N133-I136 PolarHBondContact O-N 3.35Å; Q134-I136 PolarHBondContact O-N 2.79Å; I136-R139 PolarHBondContact O-N 3.43Å; I136-L140 HydrophobicContact CG2-CD1 4.03Å; I136-L140 WeakPolarHBondContact O-CB 3.21Å; I136-L140 WeakPolarHBondContact O-CG 3.47Å; I136-L140 PolarHBondContact O-N 3.38Å |
| 137 | L | 74.7 | Confident | 72.1 | Confident | 110 Ų | 110 | 72.6 Ų | 72.6 | 58% | 0.576 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62.1 | -45.4 | 176.1 | -73.5 | 169.9 | 0 | 0 | 0 | 111.6 | N133 Q134 R139 L140 T141 | N133-L137 WeakPolarHBondContact O-CG 3.43Å; N133-L137 PolarHBondContact O-N 2.93Å; Q134-L137 PolarHBondContact O-N 3.48Å; L137-R139 PolarHBondContact O-N 3.38Å; L137-L140 WeakPolarHBondContact O-CB 3.29Å; L137-L140 PolarHBondContact O-N 2.85Å; L137-T141 WeakPolarHBondContact O-CG2 3.38Å; L137-T141 PolarHBondContact O-N 2.84Å; L137-T141 PolarHBondContact O-OG1 3.13Å |
| 138 | H | 72.6 | Confident | 72.8 | Confident | 99 Ų | 99 | 72.5 Ų | 72.5 | 46% | 0.458 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59 | -45.8 | 176.7 | -179.6 | -115 | 0 | 0 | 0 | 111.6 | Q134 L135 L140 T141 I142 | Q134-H138 WeakPolarHBondContact O-CB 3.42Å; Q134-H138 PolarHBondContact O-N 3.39Å; L135-H138 PolarHBondContact O-N 2.72Å; H138-L140 VanDerWaalsContact C-N 3.34Å; H138-L140 PolarHBondContact O-N 2.84Å; H138-T141 WeakPolarHBondContact CA-OG1 3.49Å; H138-T141 PolarHBondContact O-N 2.63Å; H138-T141 PolarHBondContact O-OG1 2.97Å; H138-I142 WeakPolarHBondContact CE1-CD1 2.89Å; H138-I142 WeakPolarHBondContact O-CG1 3.43Å; H138-I142 PolarHBondContact O-N 2.85Å |
| 139 | R | 76.2 | Confident | 73.1 | Confident | 15 Ų | 15 | 73.5 Ų | 73.5 | 6% | 0.057 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 175.7 | -70.5 | 176.7 | -179.9 | -174.4 | 1.9 | 112.3 | F43 I106 T109 L135 I136 L137 I142 H143 | F43-R139 HydrophobicContact CD1-CG 3.97Å; F43-R139 HydrophobicContact CD2-CG 4.43Å; F43-R139 HydrophobicContact CE1-CB 4.13Å; F43-R139 HydrophobicContact CE1-CG 3.74Å; F43-R139 HydrophobicContact CE2-CB 4.12Å; F43-R139 HydrophobicContact CE2-CG 4.24Å; F43-R139 HydrophobicContact CG-CG 4.34Å; F43-R139 HydrophobicContact CZ-CB 3.79Å; F43-R139 HydrophobicContact CZ-CG 3.89Å; I106-R139 HydrophobicContact CD1-CB 4.49Å; I106-R139 HydrophobicContact CG1-CB 4.25Å; T109-R139 PolarHBondContact OG1-NH1 3Å; L135-R139 WeakPolarHBondContact O-CB 3.42Å; L135-R139 VanDerWaalsContact O-CG 3.26Å; L135-R139 WeakPolarHBondContact O-CG 3.08Å; L135-R139 PolarHBondContact O-N 3.36Å; I136-R139 PolarHBondContact O-N 3.43Å; L137-R139 PolarHBondContact O-N 3.38Å; R139-I142 PolarHBondContact O-N 3.1Å; R139-H143 WeakPolarHBondContact O-CB 3.35Å; R139-H143 PolarHBondContact O-N 2.84Å |
| 140 | L | 74.3 | Confident | 73.8 | Confident | 80 Ų | 80 | 71.5 Ų | 71.5 | 42% | 0.419 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 173.9 | -81.2 | 165.7 | 0 | 0 | 0 | 112 | I106 I136 L137 H138 H143 K144 | I106-L140 HydrophobicContact CG2-CD2 3.7Å; I106-L140 HydrophobicContact CG2-CG 3.95Å; I136-L140 HydrophobicContact CG2-CD1 4.03Å; I136-L140 WeakPolarHBondContact O-CB 3.21Å; I136-L140 WeakPolarHBondContact O-CG 3.47Å; I136-L140 PolarHBondContact O-N 3.38Å; L137-L140 WeakPolarHBondContact O-CB 3.29Å; L137-L140 PolarHBondContact O-N 2.85Å; H138-L140 VanDerWaalsContact C-N 3.34Å; H138-L140 PolarHBondContact O-N 2.84Å; L140-H143 PolarHBondContact O-N 3.47Å; L140-K144 WeakPolarHBondContact O-CB 3.37Å; L140-K144 PolarHBondContact O-N 3.17Å |
| 141 | T | 73.8 | Confident | 74.1 | Confident | 74 Ų | 74 | 70.2 Ų | 70.2 | 45% | 0.454 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 177.3 | 53.4 | 0 | 0 | 0 | 0 | 112 | L137 H138 H143 K144 L145 | L137-T141 WeakPolarHBondContact O-CG2 3.38Å; L137-T141 PolarHBondContact O-N 2.84Å; L137-T141 PolarHBondContact O-OG1 3.13Å; H138-T141 WeakPolarHBondContact CA-OG1 3.49Å; H138-T141 PolarHBondContact O-N 2.63Å; H138-T141 PolarHBondContact O-OG1 2.97Å; T141-H143 PolarHBondContact O-N 2.9Å; T141-K144 PolarHBondContact O-N 3.46Å; T141-L145 WeakPolarHBondContact O-CG 3.19Å; T141-L145 PolarHBondContact O-N 3.35Å |
| 142 | I | 71.7 | Confident | 73.9 | Confident | 31 Ų | 31 | 68.7 Ų | 68.7 | 16% | 0.159 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61 | -47.5 | 175.2 | -71.3 | 170.8 | 0 | 0 | 0 | 110.4 | F43 A47 H138 R139 K144 L145 L146 | F43-I142 HydrophobicContact CE1-CD1 4.39Å; F43-I142 HydrophobicContact CE1-CG2 4.4Å; F43-I142 HydrophobicContact CZ-CG2 4.39Å; A47-I142 HydrophobicContact CB-CG2 4.23Å; H138-I142 WeakPolarHBondContact CE1-CD1 2.89Å; H138-I142 WeakPolarHBondContact O-CG1 3.43Å; H138-I142 PolarHBondContact O-N 2.85Å; R139-I142 PolarHBondContact O-N 3.1Å; I142-K144 VanDerWaalsContact C-N 3.3Å; I142-K144 PolarHBondContact O-N 3.4Å; I142-L145 PolarHBondContact O-N 3.25Å; I142-L146 HydrophobicContact CG2-CD1 3.63Å; I142-L146 HydrophobicContact CG2-CG 4.2Å; I142-L146 WeakPolarHBondContact O-CB 3.22Å; I142-L146 WeakPolarHBondContact O-CG 3.31Å; I142-L146 PolarHBondContact O-N 3.08Å |
| 143 | H | 72.4 | Confident | 73.5 | Confident | 33 Ų | 33 | 65.6 Ų | 65.6 | 15% | 0.153 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.8 | -41.8 | 177.3 | 176 | -78.9 | 0 | 0 | 0 | 111.8 | I106 R139 L140 T141 L146 S147 | I106-H143 HydrophobicContact CD1-CB 3.53Å; R139-H143 WeakPolarHBondContact O-CB 3.35Å; R139-H143 PolarHBondContact O-N 2.84Å; L140-H143 PolarHBondContact O-N 3.47Å; T141-H143 PolarHBondContact O-N 2.9Å; H143-L146 PolarHBondContact O-N 3.43Å; H143-S147 VanDerWaalsContact O-CB 3.25Å; H143-S147 WeakPolarHBondContact O-CB 3.49Å; H143-S147 PolarHBondContact O-N 2.94Å |
| 144 | K | 76 | Confident | 73.7 | Confident | 144 Ų | 144 | 66.3 Ų | 66.3 | 63% | 0.626 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.5 | -47.9 | 177.2 | -173.3 | -178.9 | 177 | -174.6 | 0 | 111.4 | L140 T141 I142 S147 E148 | L140-K144 WeakPolarHBondContact O-CB 3.37Å; L140-K144 PolarHBondContact O-N 3.17Å; T141-K144 PolarHBondContact O-N 3.46Å; I142-K144 VanDerWaalsContact C-N 3.3Å; I142-K144 PolarHBondContact O-N 3.4Å; K144-S147 PolarHBondContact O-N 2.87Å; K144-E148 WeakPolarHBondContact O-CB 3.44Å; K144-E148 PolarHBondContact O-N 2.88Å |
| 145 | L | 74.6 | Confident | 73.7 | Confident | 109 Ų | 109 | 68 Ų | 68 | 57% | 0.571 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.6 | -46.4 | 177.6 | -70 | 170.9 | 0 | 0 | 0 | 111.8 | T141 I142 S147 E148 E149 | T141-L145 WeakPolarHBondContact O-CG 3.19Å; T141-L145 PolarHBondContact O-N 3.35Å; I142-L145 PolarHBondContact O-N 3.25Å; L145-S147 VanDerWaalsContact C-N 3.32Å; L145-S147 PolarHBondContact O-N 2.9Å; L145-E148 PolarHBondContact O-N 3.38Å; L145-E149 WeakPolarHBondContact O-CB 3.5Å; L145-E149 WeakPolarHBondContact O-CG 3.26Å; L145-E149 PolarHBondContact O-N 2.92Å |
| 146 | L | 72.2 | Confident | 73.3 | Confident | 13 Ų | 13 | 69.6 Ų | 69.6 | 7% | 0.068 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.3 | -35 | 178.1 | -70 | 173.9 | 0 | 0 | 0 | 112.4 | A47 L50 H51 L99 I142 H143 L150 | A47-L146 HydrophobicContact CB-CD1 4.18Å; L50-L146 HydrophobicContact CD2-CB 4.01Å; L50-L146 HydrophobicContact CD2-CD1 4.06Å; L50-L146 HydrophobicContact CD2-CD2 3.68Å; L50-L146 HydrophobicContact CD2-CG 4.11Å; H51-L146 HydrophobicContact CB-CD2 4.31Å; L99-L146 HydrophobicContact CD2-CB 3.97Å; I142-L146 HydrophobicContact CG2-CD1 3.63Å; I142-L146 HydrophobicContact CG2-CG 4.2Å; I142-L146 WeakPolarHBondContact O-CB 3.22Å; I142-L146 WeakPolarHBondContact O-CG 3.31Å; I142-L146 PolarHBondContact O-N 3.08Å; H143-L146 PolarHBondContact O-N 3.43Å; L146-L150 WeakPolarHBondContact O-CB 3.22Å; L146-L150 PolarHBondContact O-N 2.77Å |
| 147 | S | 78.8 | Confident | 73.2 | Confident | 33 Ų | 33 | 71.3 Ų | 71.3 | 23% | 0.231 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.7 | -42.9 | 174.4 | -172.7 | 0 | 0 | 0 | 0 | 111.8 | H143 K144 L145 L150 D151 | H143-S147 VanDerWaalsContact O-CB 3.25Å; H143-S147 WeakPolarHBondContact O-CB 3.49Å; H143-S147 PolarHBondContact O-N 2.94Å; K144-S147 PolarHBondContact O-N 2.87Å; L145-S147 VanDerWaalsContact C-N 3.32Å; L145-S147 PolarHBondContact O-N 2.9Å; S147-L150 PolarHBondContact O-N 2.96Å; S147-D151 WeakPolarHBondContact O-CB 3.32Å; S147-D151 PolarHBondContact O-N 3.44Å |
| 148 | E | 76 | Confident | 73 | Confident | 122 Ų | 122 | 69.8 Ų | 69.8 | 57% | 0.57 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.6 | -43.8 | 177.8 | -177.5 | 171.4 | -178.8 | 0 | 0 | 111.4 | K144 L145 D151 S152 | K144-E148 WeakPolarHBondContact O-CB 3.44Å; K144-E148 PolarHBondContact O-N 2.88Å; L145-E148 PolarHBondContact O-N 3.38Å; E148-D151 PolarHBondContact O-N 3.48Å; E148-S152 WeakPolarHBondContact O-CB 3.42Å; E148-S152 PolarHBondContact O-N 3.27Å |
| 149 | E | 69.8 | Low | 72.6 | Confident | 111 Ų | 111 | 66.8 Ų | 66.8 | 52% | 0.519 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 172.6 | -79.1 | -69.6 | 164.8 | 0 | 0 | 112.3 | L54 L145 D151 S152 L153 | L54-E149 HydrophobicContact CD2-CB 3.57Å; L54-E149 HydrophobicContact CD2-CG 4.28Å; L145-E149 WeakPolarHBondContact O-CB 3.5Å; L145-E149 WeakPolarHBondContact O-CG 3.26Å; L145-E149 PolarHBondContact O-N 2.92Å; E149-D151 VanDerWaalsContact C-N 3.31Å; E149-D151 PolarHBondContact O-N 2.68Å; E149-S152 WeakPolarHBondContact O-CB 3.41Å; E149-S152 PolarHBondContact O-N 3.23Å; E149-L153 VanDerWaalsContact O-CB 3.31Å; E149-L153 WeakPolarHBondContact O-CB 3.44Å; E149-L153 PolarHBondContact O-N 3.47Å |
| 150 | L | 75.8 | Confident | 72 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.4 | -39 | 175.8 | -176.2 | 65.9 | 0 | 0 | 0 | 111.5 | L54 C95 T96 L99 L146 S147 L153 K154 | L54-L150 HydrophobicContact CD1-CD1 4.21Å; C95-L150 HydrophobicContact CB-CD1 3.72Å; C95-L150 HydrophobicContact CB-CD2 4.36Å; T96-L150 HydrophobicContact CG2-CD2 3.74Å; L99-L150 HydrophobicContact CD1-CB 4.04Å; L99-L150 HydrophobicContact CD1-CD2 3.26Å; L99-L150 HydrophobicContact CD1-CG 4.26Å; L99-L150 HydrophobicContact CG-CD2 4.1Å; L146-L150 WeakPolarHBondContact O-CB 3.22Å; L146-L150 PolarHBondContact O-N 2.77Å; S147-L150 PolarHBondContact O-N 2.96Å; L150-L153 PolarHBondContact O-N 3Å; L150-K154 VanDerWaalsContact O-CG 3.3Å; L150-K154 WeakPolarHBondContact O-CG 3.44Å; L150-K154 PolarHBondContact O-N 3.49Å |
| 151 | D | 75.9 | Confident | 71.7 | Confident | 68 Ų | 68 | 65.9 Ų | 65.9 | 36% | 0.364 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -71.8 | -36.6 | 178.5 | -72.4 | -22.4 | 0 | 0 | 0 | 112.2 | S147 E148 E149 L153 K154 K155 | S147-D151 WeakPolarHBondContact O-CB 3.32Å; S147-D151 PolarHBondContact O-N 3.44Å; E148-D151 PolarHBondContact O-N 3.48Å; E149-D151 VanDerWaalsContact C-N 3.31Å; E149-D151 PolarHBondContact O-N 2.68Å; D151-L153 VanDerWaalsContact C-N 3.29Å; D151-L153 PolarHBondContact O-N 3Å; D151-K154 PolarHBondContact O-N 3.34Å; D151-K154 IonicContact OD1-NZ 2.66Å; D151-K154 PolarHBondContact OD1-NZ 3.1Å; D151-K155 WeakPolarHBondContact O-CG 2.98Å; D151-K155 PolarHBondContact O-N 3.33Å |
| 152 | S | 69.8 | Low | 71.2 | Confident | 71 Ų | 71 | 69.2 Ų | 69.2 | 50% | 0.497 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.3 | -45.2 | 168.2 | -176.4 | 0 | 0 | 0 | 0 | 110.9 | E148 E149 K155 L156 | E148-S152 WeakPolarHBondContact O-CB 3.42Å; E148-S152 PolarHBondContact O-N 3.27Å; E149-S152 WeakPolarHBondContact O-CB 3.41Å; E149-S152 PolarHBondContact O-N 3.23Å; S152-K155 WeakPolarHBondContact O-CB 3.46Å; S152-K155 PolarHBondContact O-N 2.89Å; S152-L156 PolarHBondContact O-N 3.08Å |
| 153 | L | 65.3 | Low | 70.8 | Confident | 14 Ų | 14 | 68.2 Ų | 68.2 | 7% | 0.073 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.9 | -36.9 | -179.5 | -166.4 | 57.2 | 0 | 0 | 0 | 113.2 | L54 L57 L61 E149 L150 D151 L156 R157 | L54-L153 HydrophobicContact CD1-CB 4.45Å; L54-L153 HydrophobicContact CD1-CD2 3.24Å; L54-L153 HydrophobicContact CG-CD2 4.07Å; L57-L153 HydrophobicContact CB-CD2 3.91Å; L57-L153 HydrophobicContact CD2-CD2 3.23Å; L57-L153 HydrophobicContact CD2-CG 3.84Å; L57-L153 HydrophobicContact CG-CD1 4.35Å; L57-L153 HydrophobicContact CG-CD2 3.49Å; L57-L153 VanDerWaalsContact CG-CD2 3.49Å; L57-L153 HydrophobicContact CG-CG 4.05Å; L61-L153 HydrophobicContact CD2-CD1 3.47Å; L61-L153 VanDerWaalsContact CD2-CD1 3.47Å; E149-L153 VanDerWaalsContact O-CB 3.31Å; E149-L153 WeakPolarHBondContact O-CB 3.44Å; E149-L153 PolarHBondContact O-N 3.47Å; L150-L153 PolarHBondContact O-N 3Å; D151-L153 VanDerWaalsContact C-N 3.29Å; D151-L153 PolarHBondContact O-N 3Å; L153-L156 PolarHBondContact O-N 3Å; L153-R157 WeakPolarHBondContact O-CB 3.1Å; L153-R157 PolarHBondContact O-N 3.46Å |
| 154 | K | 77.1 | Confident | 70.2 | Confident | 72 Ų | 72 | 68.5 Ų | 68.5 | 31% | 0.313 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 170.3 | -75 | 171.9 | -170 | 157.2 | 0 | 111.3 | I92 L150 D151 R157 E158 | I92-K154 HydrophobicContact CG2-CG 4.16Å; L150-K154 VanDerWaalsContact O-CG 3.3Å; L150-K154 WeakPolarHBondContact O-CG 3.44Å; L150-K154 PolarHBondContact O-N 3.49Å; D151-K154 PolarHBondContact O-N 3.34Å; D151-K154 IonicContact OD1-NZ 2.66Å; D151-K154 PolarHBondContact OD1-NZ 3.1Å; K154-R157 PolarHBondContact O-N 2.81Å; K154-E158 WeakPolarHBondContact O-CB 3.36Å; K154-E158 PolarHBondContact O-N 3.29Å |
| 155 | K | 74.6 | Confident | 69.7 | Low | 160 Ų | 160 | 66.7 Ų | 66.7 | 70% | 0.696 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61.8 | -45.1 | 177.1 | -76 | 177.1 | -179.4 | -179.6 | 0 | 111.7 | D151 S152 R157 E158 S159 | D151-K155 WeakPolarHBondContact O-CG 2.98Å; D151-K155 PolarHBondContact O-N 3.33Å; S152-K155 WeakPolarHBondContact O-CB 3.46Å; S152-K155 PolarHBondContact O-N 2.89Å; K155-R157 VanDerWaalsContact C-N 3.33Å; K155-R157 PolarHBondContact O-N 2.96Å; K155-E158 WeakPolarHBondContact O-CB 3.26Å; K155-E158 PolarHBondContact O-N 3.17Å; K155-S159 PolarHBondContact O-N 2.86Å |
| 156 | L | 64.1 | Low | 69 | Low | 83 Ų | 83 | 67.2 Ų | 67.2 | 44% | 0.435 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.3 | -38 | 177.4 | -173.1 | 60.1 | 0 | 0 | 0 | 111.9 | L61 S152 L153 S159 E160 | L61-L156 HydrophobicContact CD2-CB 3.96Å; L61-L156 HydrophobicContact CD2-CD2 3.4Å; L61-L156 VanDerWaalsContact CD2-CD2 3.4Å; L61-L156 HydrophobicContact CD2-CG 3.52Å; L61-L156 HydrophobicContact CG-CD2 4.33Å; L61-L156 HydrophobicContact CG-CG 4.4Å; S152-L156 PolarHBondContact O-N 3.08Å; L153-L156 PolarHBondContact O-N 3Å; L156-S159 PolarHBondContact O-N 3.38Å; L156-S159 PolarHBondContact O-OG 3.44Å; L156-E160 WeakPolarHBondContact O-CG 3.28Å; L156-E160 PolarHBondContact O-N 2.9Å |
| 157 | R | 71.1 | Confident | 68.4 | Low | 54 Ų | 54 | 67.2 Ų | 67.2 | 20% | 0.204 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 172.1 | 168.8 | -84.1 | -153.8 | -66.3 | 11.3 | 112.1 | V88 I92 L153 K154 K155 S159 E160 I161 | V88-R157 HydrophobicContact CG1-CG 4.04Å; I92-R157 HydrophobicContact CD1-CB 4.15Å; I92-R157 HydrophobicContact CD1-CG 3.84Å; L153-R157 WeakPolarHBondContact O-CB 3.1Å; L153-R157 PolarHBondContact O-N 3.46Å; K154-R157 PolarHBondContact O-N 2.81Å; K155-R157 VanDerWaalsContact C-N 3.33Å; K155-R157 PolarHBondContact O-N 2.96Å; R157-S159 VanDerWaalsContact C-N 3.35Å; R157-E160 PolarHBondContact O-N 3.28Å; R157-I161 VanDerWaalsContact NH1-CG1 3.29Å; R157-I161 WeakPolarHBondContact O-CG1 3.44Å; R157-I161 PolarHBondContact O-N 3.49Å |
| 158 | E | 71 | Confident | 67.5 | Low | 79 Ų | 79 | 69 Ų | 69 | 37% | 0.369 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 177.8 | 179.5 | 63.2 | -157.7 | 0 | 0 | 111.2 | K154 K155 E160 I161 R162 | K154-E158 WeakPolarHBondContact O-CB 3.36Å; K154-E158 PolarHBondContact O-N 3.29Å; K155-E158 WeakPolarHBondContact O-CB 3.26Å; K155-E158 PolarHBondContact O-N 3.17Å; E158-E160 VanDerWaalsContact C-N 3.32Å; E158-E160 PolarHBondContact O-N 3.22Å; E158-I161 PolarHBondContact O-N 3.28Å; E158-R162 WeakPolarHBondContact O-CG 3.47Å; E158-R162 PolarHBondContact O-N 3.15Å; E158-R162 VanDerWaalsContact O-N 3.08Å; E158-R162 IonicContact OE1-CZ 3.68Å; E158-R162 IonicContact OE1-NE 3.44Å; E158-R162 PolarHBondContact OE1-NE 2.99Å; E158-R162 IonicContact OE1-NH2 2.64Å; E158-R162 PolarHBondContact OE1-NH2 3.44Å; E158-R162 VanDerWaalsContact OE1-NH2 3.1Å |
| 159 | S | 63.7 | Low | 66.9 | Low | 35 Ų | 35 | 68 Ų | 68 | 25% | 0.245 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 174.1 | 73.9 | 0 | 0 | 0 | 0 | 111.5 | K155 L156 R157 R162 R163 | K155-S159 PolarHBondContact O-N 2.86Å; L156-S159 PolarHBondContact O-N 3.38Å; L156-S159 PolarHBondContact O-OG 3.44Å; R157-S159 VanDerWaalsContact C-N 3.35Å; S159-R162 PolarHBondContact O-N 3.02Å; S159-R163 WeakPolarHBondContact O-CB 3.43Å; S159-R163 PolarHBondContact O-N 3.45Å |
| 160 | E | 64.1 | Low | 66.1 | Low | 19 Ų | 19 | 66.4 Ų | 66.4 | 9% | 0.089 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.4 | -41.4 | 175.9 | -76.3 | -171.3 | -176.7 | 0 | 0 | 113.9 | L61 I64 L156 R157 E158 R163 Q164 | L61-E160 VanDerWaalsContact CD1-CD 3.4Å; L61-E160 WeakPolarHBondContact CD1-OE2 3.29Å; L61-E160 WeakPolarHBondContact CG-OE1 3.45Å; I64-E160 VanDerWaalsContact CG2-OE2 3.26Å; I64-E160 WeakPolarHBondContact CG2-OE2 3.38Å; L156-E160 WeakPolarHBondContact O-CG 3.28Å; L156-E160 PolarHBondContact O-N 2.9Å; R157-E160 PolarHBondContact O-N 3.28Å; E158-E160 VanDerWaalsContact C-N 3.32Å; E158-E160 PolarHBondContact O-N 3.22Å; E160-R163 PolarHBondContact O-N 2.87Å; E160-Q164 PolarHBondContact O-N 3.5Å |
| 161 | I | 67.8 | Low | 65.2 | Low | 58 Ų | 58 | 67.8 Ų | 67.8 | 30% | 0.297 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.4 | -49.4 | 173.3 | -64.3 | 170.3 | 0 | 0 | 0 | 109.8 | R157 E158 R163 Q164 Q165 | R157-I161 VanDerWaalsContact NH1-CG1 3.29Å; R157-I161 WeakPolarHBondContact O-CG1 3.44Å; R157-I161 PolarHBondContact O-N 3.49Å; E158-I161 PolarHBondContact O-N 3.28Å; I161-R163 VanDerWaalsContact C-N 3.26Å; I161-R163 PolarHBondContact O-N 3.44Å; I161-Q164 CarbonylContact O-C 3.59Å; I161-Q164 PolarHBondContact O-N 2.92Å; I161-Q165 PolarHBondContact O-N 3.29Å |
| 162 | R | 64.1 | Low | 64.3 | Low | 144 Ų | 144 | 66 Ų | 66 | 54% | 0.543 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.3 | -37.2 | -178.4 | -72.4 | 178.6 | -170.4 | -168.9 | 1.3 | 112 | E158 S159 R166 | E158-R162 WeakPolarHBondContact O-CG 3.47Å; E158-R162 PolarHBondContact O-N 3.15Å; E158-R162 VanDerWaalsContact O-N 3.08Å; E158-R162 IonicContact OE1-CZ 3.68Å; E158-R162 IonicContact OE1-NE 3.44Å; E158-R162 PolarHBondContact OE1-NE 2.99Å; E158-R162 IonicContact OE1-NH2 2.64Å; E158-R162 PolarHBondContact OE1-NH2 3.44Å; E158-R162 VanDerWaalsContact OE1-NH2 3.1Å; S159-R162 PolarHBondContact O-N 3.02Å; R162-R166 WeakPolarHBondContact O-CB 3.35Å; R162-R166 WeakPolarHBondContact O-CG 3.35Å; R162-R166 PolarHBondContact O-N 2.88Å; R162-R166 VanDerWaalsContact O-N 3.12Å; R162-R166 PolarHBondContact O-NE 2.93Å |
| 163 | R | 62.6 | Low | 63.7 | Low | 10 Ų | 10 | 67.8 Ų | 67.8 | 4% | 0.038 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 172.5 | -178.5 | 172.2 | 70.9 | 70.1 | 12 | 111 | T68 S159 E160 I161 R166 L167 L283 | T68-R163 PolarHBondContact OG1-NH2 2.87Å; S159-R163 WeakPolarHBondContact O-CB 3.43Å; S159-R163 PolarHBondContact O-N 3.45Å; E160-R163 PolarHBondContact O-N 2.87Å; I161-R163 VanDerWaalsContact C-N 3.26Å; I161-R163 PolarHBondContact O-N 3.44Å; R163-R166 PolarHBondContact O-N 2.67Å; R163-L167 HydrophobicContact CG-CD1 4.23Å; R163-L167 WeakPolarHBondContact O-CG 3.41Å; R163-L167 PolarHBondContact O-N 3.47Å; R163-L283 HydrophobicContact CB-CD2 4.17Å; R163-L283 HydrophobicContact CG-CD1 4.36Å; R163-L283 HydrophobicContact CG-CD2 3.47Å; R163-L283 VanDerWaalsContact CG-CD2 3.47Å |
| 164 | Q | 59 | Low | 63.2 | Low | 39 Ų | 39 | 68.6 Ų | 68.6 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.7 | -40.5 | -179.9 | -172.2 | 59.4 | 27.8 | 0 | 0 | 112.6 | T68 E160 I161 R166 L167 V168 | T68-Q164 VanDerWaalsContact CG2-OE1 3.25Å; E160-Q164 PolarHBondContact O-N 3.5Å; I161-Q164 CarbonylContact O-C 3.59Å; I161-Q164 PolarHBondContact O-N 2.92Å; Q164-R166 VanDerWaalsContact C-N 3.31Å; Q164-R166 PolarHBondContact O-N 3.17Å; Q164-L167 CarbonylContact O-C 3.58Å; Q164-L167 PolarHBondContact O-N 3.07Å; Q164-L167 VanDerWaalsContact O-N 3.14Å; Q164-V168 HydrophobicContact CG-CG2 4.19Å; Q164-V168 WeakPolarHBondContact O-CB 3.31Å; Q164-V168 WeakPolarHBondContact O-CG2 3.43Å; Q164-V168 PolarHBondContact O-N 3.21Å |
| 165 | Q | 66.3 | Low | 62.1 | Low | 106 Ų | 106 | 67.2 Ų | 67.2 | 50% | 0.495 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.8 | -45.9 | 175.4 | -178.4 | 176.2 | -11.7 | 0 | 0 | 110.2 | I161 L167 V168 E169 | I161-Q165 PolarHBondContact O-N 3.29Å; Q165-L167 VanDerWaalsContact C-N 3.34Å; Q165-L167 PolarHBondContact O-N 3.48Å; Q165-V168 PolarHBondContact O-N 3.48Å; Q165-E169 HydrophobicContact CG-CG 4.25Å; Q165-E169 VanDerWaalsContact CG-OE1 3.24Å; Q165-E169 WeakPolarHBondContact CG-OE1 3.44Å; Q165-E169 PolarHBondContact NE2-OE1 2.88Å; Q165-E169 WeakPolarHBondContact O-CB 3.45Å; Q165-E169 VanDerWaalsContact O-CG 3.29Å; Q165-E169 WeakPolarHBondContact O-CG 3.28Å; Q165-E169 PolarHBondContact O-N 3.47Å |
| 166 | R | 60.9 | Low | 61.1 | Low | 119 Ų | 119 | 63.9 Ų | 63.9 | 45% | 0.449 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59 | -43 | 173.4 | -75.9 | -175 | -75.6 | 170.9 | -1.1 | 112.2 | R162 R163 Q164 F170 L283 | R162-R166 WeakPolarHBondContact O-CB 3.35Å; R162-R166 WeakPolarHBondContact O-CG 3.35Å; R162-R166 PolarHBondContact O-N 2.88Å; R162-R166 VanDerWaalsContact O-N 3.12Å; R162-R166 PolarHBondContact O-NE 2.93Å; R163-R166 PolarHBondContact O-N 2.67Å; Q164-R166 VanDerWaalsContact C-N 3.31Å; Q164-R166 PolarHBondContact O-N 3.17Å; R166-F170 WeakPolarHBondContact O-CB 3.41Å; R166-F170 PolarHBondContact O-N 3.34Å; R166-L283 HydrophobicContact CB-CD1 4.31Å |
| 167 | L | 58.3 | Low | 60.5 | Low | 13 Ų | 13 | 61.5 Ų | 61.5 | 7% | 0.068 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 176.4 | -72 | 168.2 | 0 | 0 | 0 | 112.8 | T68 L72 R163 Q164 Q165 S171 M280 | T68-L167 HydrophobicContact CG2-CD1 4.31Å; L72-L167 HydrophobicContact CD1-CB 4.42Å; L72-L167 HydrophobicContact CD1-CD2 4.06Å; R163-L167 HydrophobicContact CG-CD1 4.23Å; R163-L167 WeakPolarHBondContact O-CG 3.41Å; R163-L167 PolarHBondContact O-N 3.47Å; Q164-L167 CarbonylContact O-C 3.58Å; Q164-L167 PolarHBondContact O-N 3.07Å; Q164-L167 VanDerWaalsContact O-N 3.14Å; Q165-L167 VanDerWaalsContact C-N 3.34Å; Q165-L167 PolarHBondContact O-N 3.48Å; L167-S171 VanDerWaalsContact O-CB 3.24Å; L167-S171 WeakPolarHBondContact O-CB 3.43Å; L167-S171 PolarHBondContact O-N 2.95Å; L167-S171 PolarHBondContact O-OG 2.96Å; L167-M280 HydrophobicContact CD1-SD 3.94Å; L167-M280 HydrophobicContact CD2-SD 4.2Å |
| 168 | V | 60.7 | Low | 59.6 | Low | 70 Ų | 70 | 61 Ų | 61 | 42% | 0.424 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -69.6 | -50.8 | -179.9 | 171.2 | 0 | 0 | 0 | 0 | 110.4 | Q164 Q165 F170 S171 G172 | Q164-V168 HydrophobicContact CG-CG2 4.19Å; Q164-V168 WeakPolarHBondContact O-CB 3.31Å; Q164-V168 WeakPolarHBondContact O-CG2 3.43Å; Q164-V168 PolarHBondContact O-N 3.21Å; Q165-V168 PolarHBondContact O-N 3.48Å; V168-F170 PolarHBondContact O-N 2.95Å; V168-S171 PolarHBondContact O-N 3.42Å; V168-S171 PolarHBondContact O-OG 3.12Å; V168-G172 PolarHBondContact O-N 3.02Å |
| 169 | E | 63.6 | Low | 58.6 | Low | 101 Ų | 101 | 66.1 Ų | 66.1 | 47% | 0.472 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -54.9 | -42.9 | 175.3 | -72.6 | 174.8 | -175.9 | 0 | 0 | 110.4 | Q165 G172 N173 | Q165-E169 HydrophobicContact CG-CG 4.25Å; Q165-E169 VanDerWaalsContact CG-OE1 3.24Å; Q165-E169 WeakPolarHBondContact CG-OE1 3.44Å; Q165-E169 PolarHBondContact NE2-OE1 2.88Å; Q165-E169 WeakPolarHBondContact O-CB 3.45Å; Q165-E169 VanDerWaalsContact O-CG 3.29Å; Q165-E169 WeakPolarHBondContact O-CG 3.28Å; Q165-E169 PolarHBondContact O-N 3.47Å; E169-G172 PolarHBondContact O-N 2.79Å; E169-N173 WeakPolarHBondContact O-CB 3.23Å; E169-N173 PolarHBondContact O-N 3.42Å; E169-N173 PolarHBondContact O-ND2 2.88Å; E169-N173 PolarHBondContact O-OD1 3.26Å |
| 170 | F | 53.1 | Low | 57.8 | Low | 78 Ų | 78 | 67.7 Ų | 67.7 | 34% | 0.342 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -73.6 | -43.6 | -179.1 | -154 | -103.2 | 0 | 0 | 0 | 113 | R166 V168 G172 N173 L174 L279 | R166-F170 WeakPolarHBondContact O-CB 3.41Å; R166-F170 PolarHBondContact O-N 3.34Å; V168-F170 PolarHBondContact O-N 2.95Å; F170-G172 PolarHBondContact O-N 3.3Å; F170-N173 PolarHBondContact O-N 3.27Å; F170-L174 HydrophobicContact CD1-CD1 3.36Å; F170-L174 HydrophobicContact CD1-CG 4.08Å; F170-L174 HydrophobicContact CE1-CD1 3.58Å; F170-L174 HydrophobicContact CE1-CD2 4.43Å; F170-L174 HydrophobicContact CE1-CG 4.04Å; F170-L174 HydrophobicContact CG-CD1 4.37Å; F170-L174 WeakPolarHBondContact O-CB 3.49Å; F170-L174 WeakPolarHBondContact O-CD1 3.37Å; F170-L174 WeakPolarHBondContact O-CG 3.41Å; F170-L174 PolarHBondContact O-N 2.93Å; F170-L279 HydrophobicContact CD1-CD1 3.9Å; F170-L279 HydrophobicContact CD2-CD1 4.45Å; F170-L279 HydrophobicContact CE1-CD1 3.54Å; F170-L279 HydrophobicContact CE2-CD1 4.14Å; F170-L279 HydrophobicContact CG-CD1 4.35Å; F170-L279 HydrophobicContact CZ-CD1 3.68Å |
| 171 | S | 56.5 | Low | 56.9 | Low | 31 Ų | 31 | 70.5 Ų | 70.5 | 22% | 0.217 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.9 | -33.5 | 173.1 | 72.7 | 0 | 0 | 0 | 0 | 112 | L167 V168 A175 | L167-S171 VanDerWaalsContact O-CB 3.24Å; L167-S171 WeakPolarHBondContact O-CB 3.43Å; L167-S171 PolarHBondContact O-N 2.95Å; L167-S171 PolarHBondContact O-OG 2.96Å; V168-S171 PolarHBondContact O-N 3.42Å; V168-S171 PolarHBondContact O-OG 3.12Å; S171-A175 WeakPolarHBondContact O-CB 3.46Å; S171-A175 PolarHBondContact O-N 3.27Å |
| 172 | G | 57.3 | Low | 55.9 | Low | 30 Ų | 30 | 69.5 Ų | 69.5 | 31% | 0.309 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.1 | -45.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V168 E169 F170 A175 T176 | V168-G172 PolarHBondContact O-N 3.02Å; E169-G172 PolarHBondContact O-N 2.79Å; F170-G172 PolarHBondContact O-N 3.3Å; G172-A175 PolarHBondContact O-N 3.47Å; G172-T176 VanDerWaalsContact O-CB 3.28Å; G172-T176 WeakPolarHBondContact O-CB 3.46Å; G172-T176 PolarHBondContact O-N 2.91Å; G172-T176 PolarHBondContact O-OG1 3.02Å |
| 173 | N | 57 | Low | 54.8 | Low | 109 Ų | 109 | 66.7 Ų | 66.7 | 58% | 0.583 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.5 | -42.4 | 175.1 | -68.4 | -18.3 | 0 | 0 | 0 | 111.6 | E169 F170 T176 G177 | E169-N173 WeakPolarHBondContact O-CB 3.23Å; E169-N173 PolarHBondContact O-N 3.42Å; E169-N173 PolarHBondContact O-ND2 2.88Å; E169-N173 PolarHBondContact O-OD1 3.26Å; F170-N173 PolarHBondContact O-N 3.27Å; N173-T176 PolarHBondContact O-N 3.3Å; N173-G177 PolarHBondContact O-N 3.49Å |
| 174 | L | 54.2 | Low | 54 | Low | 31 Ų | 31 | 71.6 Ų | 71.6 | 16% | 0.162 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.1 | -48.6 | 174.6 | -76.8 | 156.2 | 0 | 0 | 0 | 111.6 | F170 T176 G177 V178 N272 S276 | F170-L174 HydrophobicContact CD1-CD1 3.36Å; F170-L174 HydrophobicContact CD1-CG 4.08Å; F170-L174 HydrophobicContact CE1-CD1 3.58Å; F170-L174 HydrophobicContact CE1-CD2 4.43Å; F170-L174 HydrophobicContact CE1-CG 4.04Å; F170-L174 HydrophobicContact CG-CD1 4.37Å; F170-L174 WeakPolarHBondContact O-CB 3.49Å; F170-L174 WeakPolarHBondContact O-CD1 3.37Å; F170-L174 WeakPolarHBondContact O-CG 3.41Å; F170-L174 PolarHBondContact O-N 2.93Å; L174-T176 VanDerWaalsContact C-N 3.25Å; L174-T176 PolarHBondContact O-N 3.09Å; L174-G177 PolarHBondContact O-N 2.71Å; L174-V178 WeakPolarHBondContact O-CG2 3.18Å; L174-V178 PolarHBondContact O-N 2.93Å; L174-N272 HydrophobicContact CD2-CB 4.09Å; L174-S276 VanDerWaalsContact CD1-OG 3.26Å; L174-S276 WeakPolarHBondContact CD1-OG 3.3Å |
| 175 | A | 55.2 | Low | 53.2 | Low | 42 Ų | 42 | 72 Ų | 72 | 35% | 0.347 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.3 | -36.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S171 G172 R179 | S171-A175 WeakPolarHBondContact O-CB 3.46Å; S171-A175 PolarHBondContact O-N 3.27Å; G172-A175 PolarHBondContact O-N 3.47Å; A175-R179 WeakPolarHBondContact O-CB 3.3Å; A175-R179 WeakPolarHBondContact O-CD 3.23Å; A175-R179 WeakPolarHBondContact O-CG 3.41Å; A175-R179 PolarHBondContact O-N 3.41Å |
| 176 | T | 53 | Low | 52.2 | Low | 91 Ų | 91 | 68.1 Ų | 68.1 | 56% | 0.558 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -68 | -41.3 | 175 | -55.8 | 0 | 0 | 0 | 0 | 111 | G172 N173 L174 R179 S180 | G172-T176 VanDerWaalsContact O-CB 3.28Å; G172-T176 WeakPolarHBondContact O-CB 3.46Å; G172-T176 PolarHBondContact O-N 2.91Å; G172-T176 PolarHBondContact O-OG1 3.02Å; N173-T176 PolarHBondContact O-N 3.3Å; L174-T176 VanDerWaalsContact C-N 3.25Å; L174-T176 PolarHBondContact O-N 3.09Å; T176-R179 PolarHBondContact O-N 3.26Å; T176-S180 WeakPolarHBondContact O-CB 3.44Å; T176-S180 PolarHBondContact O-N 2.96Å; T176-S180 PolarHBondContact O-OG 3.42Å |
| 177 | G | 52 | Low | 51.7 | Low | 33 Ų | 33 | 67.9 Ų | 67.9 | 34% | 0.34 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | N173 L174 S180 V181 | N173-G177 PolarHBondContact O-N 3.49Å; L174-G177 PolarHBondContact O-N 2.71Å; G177-S180 WeakPolarHBondContact CA-OG 3.25Å; G177-S180 PolarHBondContact O-N 3.4Å; G177-S180 PolarHBondContact O-OG 2.86Å; G177-V181 WeakPolarHBondContact O-CG2 3.35Å; G177-V181 PolarHBondContact O-N 3.42Å; G177-V181 VanDerWaalsContact O-N 3.14Å |
| 178 | V | 50.6 | Low | 51.3 | Low | 43 Ų | 43 | 68.8 Ų | 68.8 | 26% | 0.261 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -70.6 | -38.7 | 176.5 | 176.8 | 0 | 0 | 0 | 0 | 111 | L174 V181 A182 N272 | L174-V178 WeakPolarHBondContact O-CG2 3.18Å; L174-V178 PolarHBondContact O-N 2.93Å; V178-V181 PolarHBondContact O-N 3.31Å; V178-A182 WeakPolarHBondContact O-CB 3.4Å; V178-A182 PolarHBondContact O-N 2.92Å; V178-N272 VanDerWaalsContact CG2-ND2 3.3Å; V178-N272 WeakPolarHBondContact CG2-ND2 3.45Å |
| 179 | R | 49.8 | Very low | 50.7 | Low | 187 Ų | 187 | 71.3 Ų | 71.3 | 71% | 0.706 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -68.9 | -35.7 | 175.3 | -74.3 | 172 | -167.8 | -95.3 | 2.6 | 112.2 | A175 T176 V181 A182 A183 | A175-R179 WeakPolarHBondContact O-CB 3.3Å; A175-R179 WeakPolarHBondContact O-CD 3.23Å; A175-R179 WeakPolarHBondContact O-CG 3.41Å; A175-R179 PolarHBondContact O-N 3.41Å; T176-R179 PolarHBondContact O-N 3.26Å; R179-V181 VanDerWaalsContact C-N 3.32Å; R179-A182 PolarHBondContact O-N 3.32Å; R179-A183 WeakPolarHBondContact O-CB 3.34Å; R179-A183 PolarHBondContact O-N 2.96Å |
| 180 | S | 47.1 | Very low | 49.9 | Very low | 68 Ų | 68 | 69.5 Ų | 69.5 | 48% | 0.476 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.9 | -37.5 | 175.8 | 64.9 | 0 | 0 | 0 | 0 | 110.9 | T176 G177 S184 | T176-S180 WeakPolarHBondContact O-CB 3.44Å; T176-S180 PolarHBondContact O-N 2.96Å; T176-S180 PolarHBondContact O-OG 3.42Å; G177-S180 WeakPolarHBondContact CA-OG 3.25Å; G177-S180 PolarHBondContact O-N 3.4Å; G177-S180 PolarHBondContact O-OG 2.86Å; S180-S184 VanDerWaalsContact O-CB 3.26Å; S180-S184 WeakPolarHBondContact O-CB 3.37Å; S180-S184 PolarHBondContact O-N 3.2Å |
| 181 | V | 46.3 | Very low | 49.6 | Very low | 78 Ų | 78 | 72.7 Ų | 72.7 | 47% | 0.473 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 171.1 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | G177 V178 R179 I265 | G177-V181 WeakPolarHBondContact O-CG2 3.35Å; G177-V181 PolarHBondContact O-N 3.42Å; G177-V181 VanDerWaalsContact O-N 3.14Å; V178-V181 PolarHBondContact O-N 3.31Å; R179-V181 VanDerWaalsContact C-N 3.32Å; V181-I265 HydrophobicContact CG1-CG1 4.39Å |
| 182 | A | 45.7 | Very low | 49.2 | Very low | 37 Ų | 37 | 76.2 Ų | 76.2 | 31% | 0.306 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69 | -36.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V178 R179 T186 | V178-A182 WeakPolarHBondContact O-CB 3.4Å; V178-A182 PolarHBondContact O-N 2.92Å; R179-A182 PolarHBondContact O-N 3.32Å; A182-T186 PolarHBondContact O-N 3.08Å; A182-T186 VanDerWaalsContact O-N 3.16Å |
| 183 | A | 41.9 | Very low | 48.4 | Very low | 85 Ų | 85 | 83.1 Ų | 83.1 | 70% | 0.702 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -75.1 | -28.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | R179 G185 | R179-A183 WeakPolarHBondContact O-CB 3.34Å; R179-A183 PolarHBondContact O-N 2.96Å; A183-G185 PolarHBondContact O-N 3.4Å; A183-G185 VanDerWaalsContact O-N 3.07Å |
| 184 | S | 45.1 | Very low | 47.7 | Very low | 112 Ų | 112 | 87.7 Ų | 87.7 | 78% | 0.783 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | 3.4 | 177.3 | -166.8 | 0 | 0 | 0 | 0 | 114.1 | S180 | S180-S184 VanDerWaalsContact O-CB 3.26Å; S180-S184 WeakPolarHBondContact O-CB 3.37Å; S180-S184 PolarHBondContact O-N 3.2Å |
| 185 | G | 41.7 | Very low | 47.3 | Very low | 47 Ų | 47 | 91.9 Ų | 91.9 | 49% | 0.485 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 139 | 80 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | A183 | A183-G185 PolarHBondContact O-N 3.4Å; A183-G185 VanDerWaalsContact O-N 3.07Å |
| 186 | T | 47 | Very low | 46.6 | Very low | 26 Ų | 26 | 96.6 Ų | 96.6 | 16% | 0.16 | 55% | 0.548 | C | S | . | . | trans | 171.5 | 104.1 | 136.6 | 29.8 | 0 | 0 | 0 | 0 | 108.8 | A182 V188 L258 | A182-T186 PolarHBondContact O-N 3.08Å; A182-T186 VanDerWaalsContact O-N 3.16Å; T186-V188 WeakPolarHBondContact O-CG2 3.42Å; T186-V188 PolarHBondContact O-N 3.44Å; T186-L258 HydrophobicContact CG2-CD2 3.13Å | ||
| 187 | N | 48.9 | Very low | 45.9 | Very low | 113 Ų | 113 | 100.6 Ų | 100.6 | 60% | 0.604 | 56% | 0.557 | S | S | * | * | trans | -71.2 | 66.8 | 164.3 | 1.5 | -28.5 | 0 | 0 | 0 | 106.7 | T189 A190 Y191 | N187-T189 PolarHBondContact O-N 3.37Å; N187-T189 VanDerWaalsContact O-N 3.07Å; N187-A190 HydrophobicContact CB-CB 4.45Å; N187-A190 WeakPolarHBondContact O-CB 3.26Å; N187-A190 PolarHBondContact O-N 3.26Å; N187-Y191 WeakPolarHBondContact O-CD2 3.18Å | ||
| 188 | V | 49.9 | Very low | 45.4 | Very low | 33 Ų | 33 | 109.1 Ų | 109.1 | 20% | 0.2 | 58% | 0.581 | C | S | . | * | H | α-helix | trans | -55.3 | -30.1 | -175.2 | -179.8 | 0 | 0 | 0 | 0 | 111 | T186 A190 Y191 L192 A262 | T186-V188 WeakPolarHBondContact O-CG2 3.42Å; T186-V188 PolarHBondContact O-N 3.44Å; V188-A190 VanDerWaalsContact C-N 3.3Å; V188-A190 PolarHBondContact O-N 2.85Å; V188-Y191 PolarHBondContact O-N 2.93Å; V188-L192 HydrophobicContact CG1-CD1 3.72Å; V188-L192 HydrophobicContact CG1-CG 4.01Å; V188-L192 WeakPolarHBondContact O-CG 3.45Å; V188-L192 PolarHBondContact O-N 3.14Å; V188-A262 HydrophobicContact CG1-CB 3.89Å; V188-A262 HydrophobicContact CG2-CB 4.38Å |
| 189 | T | 47.8 | Very low | 44.7 | Very low | 123 Ų | 123 | 113.6 Ų | 113.6 | 76% | 0.755 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.1 | -27.1 | 176.8 | 44.3 | 0 | 0 | 0 | 0 | 113.9 | N187 | N187-T189 PolarHBondContact O-N 3.37Å; N187-T189 VanDerWaalsContact O-N 3.07Å |
| 190 | A | 48 | Very low | 44 | Very low | 62 Ų | 62 | 112.2 Ų | 112.2 | 51% | 0.512 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -71.7 | -35.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | N187 V188 | N187-A190 HydrophobicContact CB-CB 4.45Å; N187-A190 WeakPolarHBondContact O-CB 3.26Å; N187-A190 PolarHBondContact O-N 3.26Å; V188-A190 VanDerWaalsContact C-N 3.3Å; V188-A190 PolarHBondContact O-N 2.85Å |
| 191 | Y | 45.9 | Very low | 43.7 | Very low | 145 Ų | 145 | 112.3 Ų | 112.3 | 57% | 0.569 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -85.7 | -26.6 | -178.4 | -63.3 | -81.3 | 0 | 0 | 0 | 113.8 | N187 V188 K193 | N187-Y191 WeakPolarHBondContact O-CD2 3.18Å; V188-Y191 PolarHBondContact O-N 2.93Å; Y191-K193 PolarHBondContact O-N 3.16Å |
| 192 | L | 48.3 | Very low | 43.2 | Very low | 106 Ų | 106 | 116.4 Ų | 116.4 | 56% | 0.555 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -75.9 | -7.1 | 172.8 | -73.9 | 174.4 | 0 | 0 | 0 | 113.5 | V188 R194 | V188-L192 HydrophobicContact CG1-CD1 3.72Å; V188-L192 HydrophobicContact CG1-CG 4.01Å; V188-L192 WeakPolarHBondContact O-CG 3.45Å; V188-L192 PolarHBondContact O-N 3.14Å; L192-R194 PolarHBondContact O-N 2.94Å |
| 193 | K | 41.6 | Very low | 43.4 | Very low | 175 Ų | 175 | 120.5 Ų | 120.5 | 76% | 0.761 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -68.1 | 82.8 | 165.7 | -168.7 | 175.9 | -177.5 | -172.9 | 0 | 107.5 | Y191 P195 | Y191-K193 PolarHBondContact O-N 3.16Å; K193-P195 VanDerWaalsContact O-N 3.08Å |
| 194 | R | 40.7 | Very low | 43.2 | Very low | 205 Ų | 205 | 126.4 Ų | 126.4 | 77% | 0.774 | 66% | 0.661 | S | S | * | * | trans | -35.2 | 115.6 | 174.6 | -168.3 | 176.1 | -169.1 | -146.8 | 3.4 | 108 | L192 N196 | L192-R194 PolarHBondContact O-N 2.94Å; R194-N196 PolarHBondContact O-N 3.35Å | ||
| 195 | P | 46.5 | Very low | 43.1 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 77% | 0.773 | 67% | 0.667 | S | S | * | * | trans | -65.7 | 96.2 | 173.3 | 25.1 | -29.7 | 0 | 0 | 0 | 105.5 | K193 K197 | K193-P195 VanDerWaalsContact O-N 3.08Å; P195-K197 VanDerWaalsContact C-N 3.3Å; P195-K197 PolarHBondContact O-N 3.08Å | ||
| 196 | N | 41.5 | Very low | 42.8 | Very low | 141 Ų | 141 | 138.4 Ų | 138.4 | 75% | 0.754 | 69% | 0.687 | S | S | * | * | trans | -67.8 | 103.6 | 171.3 | -145.7 | 29 | 0 | 0 | 0 | 104.7 | R194 | R194-N196 PolarHBondContact O-N 3.35Š| ||
| 197 | K | 37.4 | Very low | 42.1 | Very low | 175 Ų | 175 | 149.2 Ų | 149.2 | 76% | 0.761 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -42.8 | 135.6 | 176.7 | -133.8 | 178.5 | 178.5 | 178.8 | 0 | 110.3 | P195 | P195-K197 VanDerWaalsContact C-N 3.3Å; P195-K197 PolarHBondContact O-N 3.08Å |
| 198 | Y | 41.3 | Very low | 41.3 | Very low | 212 Ų | 212 | 155.3 Ų | 155.3 | 83% | 0.831 | 74% | 0.739 | S | S | * | * | trans | 68.7 | 87.8 | 170.1 | -69.7 | -94.2 | 0 | 0 | 0 | 117.1 | ||||
| 199 | D | 35.7 | Very low | 40.4 | Very low | 137 Ų | 137 | 156.9 Ų | 156.9 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | -134.2 | 98.2 | 140.9 | -165.6 | -13.2 | 0 | 0 | 0 | 108.4 | S201 | D199-S201 VanDerWaalsContact C-N 3.29Å; D199-S201 VanDerWaalsContact CG-OG 3.3Å; D199-S201 PolarHBondContact O-N 2.85Å; D199-S201 VanDerWaalsContact O-N 3.13Å; D199-S201 PolarHBondContact OD1-OG 2.93Å | ||
| 200 | N | 36.1 | Very low | 39.8 | Very low | 157 Ų | 157 | 157.5 Ų | 157.5 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | trans | -76.6 | 82.8 | 170.6 | -170.4 | 3.7 | 0 | 0 | 0 | 107.2 | ||||
| 201 | S | 40.4 | Very low | 39.3 | Very low | 70 Ų | 70 | 160.8 Ų | 160.8 | 49% | 0.49 | 77% | 0.77 | S | S | . | * | trans | -150.8 | 59.4 | 171.1 | 57.3 | 0 | 0 | 0 | 0 | 112.5 | D199 T203 | D199-S201 VanDerWaalsContact C-N 3.29Å; D199-S201 VanDerWaalsContact CG-OG 3.3Å; D199-S201 PolarHBondContact O-N 2.85Å; D199-S201 VanDerWaalsContact O-N 3.13Å; D199-S201 PolarHBondContact OD1-OG 2.93Å; S201-T203 PolarHBondContact O-N 2.79Å | ||
| 202 | D | 36.6 | Very low | 38.9 | Very low | 165 Ų | 165 | 159.7 Ų | 159.7 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | trans | -65.9 | 75.9 | 156.8 | -84.9 | -39.3 | 0 | 0 | 0 | 110.4 | ||||
| 203 | T | 48.2 | Very low | 38.4 | Very low | 122 Ų | 122 | 162.9 Ų | 162.9 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -158 | 60.6 | 162.1 | 47.4 | 0 | 0 | 0 | 0 | 112.5 | S201 | S201-T203 PolarHBondContact O-N 2.79Š| ||
| 204 | K | 38.2 | Very low | 37.9 | Very low | 209 Ų | 209 | 160.6 Ų | 160.6 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | trans | -135.5 | 57.4 | 160.1 | -68.8 | -171.9 | -176.8 | 167.9 | 0 | 112.3 | R206 | K204-R206 VanDerWaalsContact C-N 3.25Å; K204-R206 PolarHBondContact O-N 3.25Å | ||
| 205 | L | 42.3 | Very low | 37.8 | Very low | 176 Ų | 176 | 158.5 Ų | 158.5 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -64.9 | 92.5 | 153.5 | -92.2 | 125 | 0 | 0 | 0 | 109.1 | R207 | L205-R207 PolarHBondContact O-N 2.91Š| ||
| 206 | R | 35.8 | Very low | 37.4 | Very low | 236 Ų | 236 | 161.7 Ų | 161.7 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | trans | 30.7 | 88.7 | 139 | -150.5 | 170.3 | 164 | 163.3 | -6.1 | 116.1 | K204 R208 | K204-R206 VanDerWaalsContact C-N 3.25Å; K204-R206 PolarHBondContact O-N 3.25Å; R206-R208 PolarHBondContact O-N 3.32Å; R206-R208 VanDerWaalsContact O-N 3.15Å | ||
| 207 | R | 32.4 | Very low | 37.2 | Very low | 252 Ų | 252 | 160.5 Ų | 160.5 | 95% | 0.951 | 79% | 0.792 | S | S | * | * | trans | -51.7 | 105.8 | 163.9 | -160.1 | -178.5 | -167.5 | -169.3 | 3.9 | 111 | L205 | L205-R207 PolarHBondContact O-N 2.91Š| ||
| 208 | R | 33.2 | Very low | 37.2 | Very low | 241 Ų | 241 | 159.8 Ų | 159.8 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | -127.6 | 104.7 | 156.1 | -169.9 | 170.7 | 178.9 | 165.5 | -1.2 | 106.6 | R206 | R206-R208 PolarHBondContact O-N 3.32Å; R206-R208 VanDerWaalsContact O-N 3.15Å | ||
| 209 | G | 30.7 | Very low | 37.1 | Very low | 67 Ų | 67 | 156.2 Ų | 156.2 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | trans | -65.7 | 153.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 210 | N | 35 | Very low | 37.3 | Very low | 136 Ų | 136 | 156.1 Ų | 156.1 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | 177.1 | 130.9 | 97 | -167.1 | 36.4 | 0 | 0 | 0 | 109.6 | |||||
| 211 | N | 38.4 | Very low | 37.6 | Very low | 131 Ų | 131 | 156 Ų | 156 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | trans | 63.4 | 108.3 | 148.7 | -74.4 | -7 | 0 | 0 | 0 | 121.6 | ||||
| 212 | N | 36.3 | Very low | 37.4 | Very low | 122 Ų | 122 | 159.3 Ų | 159.3 | 65% | 0.652 | 81% | 0.806 | S | S | * | * | 81.5 | 79.9 | 109.5 | -147.7 | 39.5 | 0 | 0 | 0 | 116.3 | N214 | N212-N214 PolarHBondContact OD1-ND2 3.47Š| |||
| 213 | D | 38.4 | Very low | 37.7 | Very low | 173 Ų | 173 | 162.5 Ų | 162.5 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | trans | -131.9 | 102.4 | 142.6 | -106.5 | -33.7 | 0 | 0 | 0 | 109.3 | ||||
| 214 | N | 31.4 | Very low | 37.4 | Very low | 127 Ų | 127 | 163.4 Ų | 163.4 | 68% | 0.679 | 80% | 0.803 | S | S | * | * | trans | -80.4 | 110.2 | 172.5 | -65.5 | -58.2 | 0 | 0 | 0 | 108 | N212 | N212-N214 PolarHBondContact OD1-ND2 3.47Š| ||
| 215 | N | 38.6 | Very low | 37.5 | Very low | 160 Ų | 160 | 161.2 Ų | 161.2 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -174.6 | 142.9 | 143.6 | -104.4 | -26.2 | 0 | 0 | 0 | 112.9 | ||||
| 216 | K | 38.3 | Very low | 37.5 | Very low | 186 Ų | 186 | 156.5 Ų | 156.5 | 81% | 0.809 | 78% | 0.777 | S | S | * | * | trans | 74.6 | 85.6 | 167 | -99.5 | 154.4 | 169.1 | 174.2 | 0 | 116.2 | ||||
| 217 | T | 37.2 | Very low | 37.9 | Very low | 117 Ų | 117 | 154 Ų | 154 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | 69.9 | 99.5 | 97.2 | 59.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 218 | N | 36.5 | Very low | 38.5 | Very low | 160 Ų | 160 | 149.3 Ų | 149.3 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | 6.7 | 118.2 | 128.7 | -49.7 | -20.1 | 0 | 0 | 0 | 114.1 | |||||
| 219 | D | 38.5 | Very low | 39.1 | Very low | 137 Ų | 137 | 144.2 Ų | 144.2 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | 169.2 | 121.5 | 93.4 | -157.5 | 1 | 0 | 0 | 0 | 108.9 | L221 | D219-L221 PolarHBondContact O-N 2.89Å; D219-L221 VanDerWaalsContact O-N 3.1Å | |||
| 220 | V | 40.9 | Very low | 40.2 | Very low | 134 Ų | 134 | 147 Ų | 147 | 81% | 0.812 | 74% | 0.738 | S | S | * | * | trans | 2.9 | 89.6 | 155.2 | -171.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 221 | L | 41.8 | Very low | 40.7 | Very low | 155 Ų | 155 | 146.8 Ų | 146.8 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | trans | -126.8 | 83.7 | 161.2 | -159.1 | 77.3 | 0 | 0 | 0 | 109.4 | D219 Y223 | D219-L221 PolarHBondContact O-N 2.89Å; D219-L221 VanDerWaalsContact O-N 3.1Å; L221-Y223 PolarHBondContact O-N 3.23Å | ||
| 222 | N | 37.5 | Very low | 41.6 | Very low | 139 Ų | 139 | 144.1 Ų | 144.1 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | 36.1 | 61.1 | 127.4 | -163.3 | 6.5 | 0 | 0 | 0 | 115.2 | H224 | N222-H224 PolarHBondContact O-N 2.95Å; N222-H224 VanDerWaalsContact O-N 3.1Å | |||
| 223 | Y | 42 | Very low | 42.9 | Very low | 232 Ų | 232 | 142.5 Ų | 142.5 | 91% | 0.91 | 71% | 0.714 | S | S | * | * | trans | -81.6 | 87.3 | 157.3 | -121.9 | -91.7 | 0 | 0 | 0 | 106.4 | L221 E225 | L221-Y223 PolarHBondContact O-N 3.23Å; Y223-E225 PolarHBondContact O-N 3.41Å | ||
| 224 | H | 42.5 | Very low | 44.5 | Very low | 142 Ų | 142 | 142 Ų | 142 | 66% | 0.657 | 71% | 0.706 | S | S | * | * | trans | 26.4 | 94 | 140.7 | -119.5 | -64.3 | 0 | 0 | 0 | 112.2 | N222 S226 | N222-H224 PolarHBondContact O-N 2.95Å; N222-H224 VanDerWaalsContact O-N 3.1Å; H224-S226 PolarHBondContact O-N 2.84Å | ||
| 225 | E | 40.1 | Very low | 46.6 | Very low | 162 Ų | 162 | 141.6 Ų | 141.6 | 76% | 0.757 | 70% | 0.704 | S | S | * | * | trans | -53.4 | 76.9 | 136.2 | -168.1 | 168 | 171.4 | 0 | 0 | 106.1 | Y223 R227 | Y223-E225 PolarHBondContact O-N 3.41Å; E225-R227 HydrophobicContact CG-CG 4.39Å; E225-R227 PolarHBondContact O-N 3.27Å | ||
| 226 | S | 42.4 | Very low | 48.6 | Very low | 77 Ų | 77 | 138.3 Ų | 138.3 | 54% | 0.538 | 68% | 0.683 | S | S | . | * | trans | -63.3 | 76.5 | 150 | 56.3 | 0 | 0 | 0 | 0 | 104.1 | H224 H228 | H224-S226 PolarHBondContact O-N 2.84Å; S226-H228 PolarHBondContact O-N 2.86Å | ||
| 227 | R | 43.4 | Very low | 50.5 | Low | 185 Ų | 185 | 134.4 Ų | 134.4 | 70% | 0.698 | 67% | 0.671 | S | S | * | * | -38.1 | 79.1 | 124.3 | -93.8 | 175.7 | 162.4 | 158.3 | -5.7 | 106.2 | E225 E229 | E225-R227 HydrophobicContact CG-CG 4.39Å; E225-R227 PolarHBondContact O-N 3.27Å; R227-E229 HydrophobicContact CB-CG 4.43Å; R227-E229 PolarHBondContact O-N 3.31Å | |||
| 228 | H | 44.8 | Very low | 52.5 | Low | 153 Ų | 153 | 136.8 Ų | 136.8 | 71% | 0.708 | 67% | 0.666 | S | S | * | * | trans | -57.5 | 84.5 | 136.9 | -85.9 | -66.4 | 0 | 0 | 0 | 103.4 | S226 E230 | S226-H228 PolarHBondContact O-N 2.86Å; H228-E230 HydrophobicContact CB-CG 4.4Å; H228-E230 PolarHBondContact O-N 3.06Å | ||
| 229 | E | 46.4 | Very low | 54.6 | Low | 134 Ų | 134 | 133 Ų | 133 | 63% | 0.626 | 65% | 0.649 | S | S | * | * | trans | -55.5 | 69.8 | 136.9 | -70 | 174.8 | 174.8 | 0 | 0 | 105.1 | R227 N231 | R227-E229 HydrophobicContact CB-CG 4.43Å; R227-E229 PolarHBondContact O-N 3.31Å; E229-N231 PolarHBondContact O-N 3.37Å; E229-N231 PolarHBondContact O-ND2 2.87Å; E229-N231 VanDerWaalsContact O-ND2 3.07Å | ||
| 230 | E | 53.4 | Low | 56.7 | Low | 126 Ų | 126 | 129.8 Ų | 129.8 | 59% | 0.589 | 63% | 0.632 | S | S | * | * | trans | -56.1 | 92.6 | 146.3 | -88.2 | 179 | 169.6 | 0 | 0 | 102.5 | H228 F232 | H228-E230 HydrophobicContact CB-CG 4.4Å; H228-E230 PolarHBondContact O-N 3.06Å; E230-F232 HydrophobicContact CB-CD2 3.97Å; E230-F232 HydrophobicContact CB-CE2 3.6Å; E230-F232 HydrophobicContact CB-CZ 4.02Å; E230-F232 WeakPolarHBondContact O-CD2 3.48Å; E230-F232 PolarHBondContact O-N 3.18Å; E230-F232 WeakPolarHBondContact OE2-CZ 3.43Å | ||
| 231 | N | 47 | Very low | 58.7 | Low | 130 Ų | 130 | 130.1 Ų | 130.1 | 70% | 0.695 | 63% | 0.625 | S | S | * | * | trans | -64.9 | 74.7 | 165.6 | -76.7 | -84 | 0 | 0 | 0 | 104.3 | E229 T233 | E229-N231 PolarHBondContact O-N 3.37Å; E229-N231 PolarHBondContact O-ND2 2.87Å; E229-N231 VanDerWaalsContact O-ND2 3.07Å; N231-T233 PolarHBondContact O-N 3.4Å | ||
| 232 | F | 56.8 | Low | 60.7 | Low | 76 Ų | 76 | 126.5 Ų | 126.5 | 33% | 0.333 | 61% | 0.605 | S | S | . | * | trans | -47.8 | 117.7 | 165.6 | -75.1 | -78.1 | 0 | 0 | 0 | 104.7 | E230 E234 E236 L237 L240 | E230-F232 HydrophobicContact CB-CD2 3.97Å; E230-F232 HydrophobicContact CB-CE2 3.6Å; E230-F232 HydrophobicContact CB-CZ 4.02Å; E230-F232 WeakPolarHBondContact O-CD2 3.48Å; E230-F232 PolarHBondContact O-N 3.18Å; E230-F232 WeakPolarHBondContact OE2-CZ 3.43Å; F232-E234 PolarHBondContact O-N 3.47Å; F232-E236 HydrophobicContact CB-CB 4.35Å; F232-E236 HydrophobicContact CD1-CB 4.16Å; F232-E236 HydrophobicContact CD1-CG 3.67Å; F232-E236 WeakPolarHBondContact CD1-OE1 3.33Å; F232-E236 WeakPolarHBondContact CD1-OE2 3.3Å; F232-E236 HydrophobicContact CE1-CG 4.32Å; F232-E236 WeakPolarHBondContact CE1-OE1 3.3Å; F232-L237 HydrophobicContact CB-CB 4.22Å; F232-L240 HydrophobicContact CD1-CD1 3.69Å; F232-L240 HydrophobicContact CE1-CD1 3.6Å; F232-L240 HydrophobicContact CG-CD1 4.43Å; F232-L240 HydrophobicContact CZ-CD1 4.23Å | ||
| 233 | T | 64.1 | Low | 62.8 | Low | 88 Ų | 88 | 125.9 Ų | 125.9 | 54% | 0.54 | 60% | 0.598 | S | S | . | * | trans | -54.5 | 145.5 | 174.4 | -61.3 | 0 | 0 | 0 | 0 | 106.6 | N231 N235 E236 L237 | N231-T233 PolarHBondContact O-N 3.4Å; T233-N235 HydrophobicContact CG2-CB 4.25Å; T233-N235 CarbonylContact O-C 3.58Å; T233-N235 PolarHBondContact O-N 3.01Å; T233-E236 WeakPolarHBondContact O-CA 3.49Å; T233-E236 WeakPolarHBondContact O-CB 3.31Å; T233-E236 PolarHBondContact O-N 3.3Å; T233-L237 PolarHBondContact O-N 3.32Å | ||
| 234 | E | 71.1 | Confident | 64.8 | Low | 163 Ų | 163 | 120 Ų | 120 | 76% | 0.762 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -47.5 | -33.4 | -179.4 | -175.4 | 177.6 | 173.2 | 0 | 0 | 112.3 | F232 R238 | F232-E234 PolarHBondContact O-N 3.47Å; E234-R238 VanDerWaalsContact O-CB 3.27Å; E234-R238 WeakPolarHBondContact O-CB 3.45Å; E234-R238 PolarHBondContact O-N 3.02Å |
| 235 | N | 76.3 | Confident | 66.7 | Low | 117 Ų | 117 | 118.9 Ų | 118.9 | 63% | 0.626 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.3 | -44.5 | 172 | -63.4 | -33.6 | 0 | 0 | 0 | 114.2 | T233 R238 T239 | T233-N235 HydrophobicContact CG2-CB 4.25Å; T233-N235 CarbonylContact O-C 3.58Å; T233-N235 PolarHBondContact O-N 3.01Å; N235-R238 PolarHBondContact O-N 2.88Å; N235-T239 WeakPolarHBondContact O-CG2 3.49Å; N235-T239 PolarHBondContact O-N 3.22Å; N235-T239 PolarHBondContact O-OG1 2.83Å |
| 236 | E | 79.1 | Confident | 68.8 | Low | 91 Ų | 91 | 116 Ų | 116 | 43% | 0.425 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.9 | -42 | -179.2 | -161.9 | -178.9 | 177.1 | 0 | 0 | 111.3 | F232 T233 R238 T239 L240 | F232-E236 HydrophobicContact CB-CB 4.35Å; F232-E236 HydrophobicContact CD1-CB 4.16Å; F232-E236 HydrophobicContact CD1-CG 3.67Å; F232-E236 WeakPolarHBondContact CD1-OE1 3.33Å; F232-E236 WeakPolarHBondContact CD1-OE2 3.3Å; F232-E236 HydrophobicContact CE1-CG 4.32Å; F232-E236 WeakPolarHBondContact CE1-OE1 3.3Å; T233-E236 WeakPolarHBondContact O-CA 3.49Å; T233-E236 WeakPolarHBondContact O-CB 3.31Å; T233-E236 PolarHBondContact O-N 3.3Å; E236-R238 VanDerWaalsContact C-N 3.32Å; E236-R238 PolarHBondContact O-N 3.36Å; E236-T239 VanDerWaalsContact C-OG1 3.32Å; E236-T239 WeakPolarHBondContact CA-OG1 3.34Å; E236-T239 PolarHBondContact O-N 2.98Å; E236-T239 PolarHBondContact O-OG1 2.82Å; E236-L240 VanDerWaalsContact O-CG 3.31Å; E236-L240 WeakPolarHBondContact O-CG 3.47Å; E236-L240 PolarHBondContact O-N 2.79Å |
| 237 | L | 80 | Confident | 70.6 | Confident | 104 Ų | 104 | 117.7 Ų | 117.7 | 55% | 0.545 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60 | -44.4 | 172.5 | -178.5 | 64.8 | 0 | 0 | 0 | 110.9 | F232 T233 L240 E241 | F232-L237 HydrophobicContact CB-CB 4.22Å; T233-L237 PolarHBondContact O-N 3.32Å; L237-L240 PolarHBondContact O-N 3.39Å; L237-E241 WeakPolarHBondContact O-CB 3.46Å; L237-E241 PolarHBondContact O-N 3.45Å |
| 238 | R | 78.8 | Confident | 72.4 | Confident | 167 Ų | 167 | 116.5 Ų | 116.5 | 63% | 0.63 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.2 | -40.4 | 176 | -173 | -176.2 | -177.9 | 117.3 | 2.8 | 112 | E234 N235 E236 E241 I242 | E234-R238 VanDerWaalsContact O-CB 3.27Å; E234-R238 WeakPolarHBondContact O-CB 3.45Å; E234-R238 PolarHBondContact O-N 3.02Å; N235-R238 PolarHBondContact O-N 2.88Å; E236-R238 VanDerWaalsContact C-N 3.32Å; E236-R238 PolarHBondContact O-N 3.36Å; R238-E241 PolarHBondContact O-N 2.93Å; R238-I242 HydrophobicContact CG-CD1 4.07Å; R238-I242 WeakPolarHBondContact O-CD1 3.28Å; R238-I242 VanDerWaalsContact O-CG1 3.24Å; R238-I242 WeakPolarHBondContact O-CG1 3.28Å; R238-I242 PolarHBondContact O-N 3.36Å |
| 239 | T | 80.3 | Confident | 74.2 | Confident | 80 Ų | 80 | 114.5 Ų | 114.5 | 49% | 0.491 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.9 | -40.7 | 176.1 | 46.5 | 0 | 0 | 0 | 0 | 112.1 | N235 E236 I242 E243 | N235-T239 WeakPolarHBondContact O-CG2 3.49Å; N235-T239 PolarHBondContact O-N 3.22Å; N235-T239 PolarHBondContact O-OG1 2.83Å; E236-T239 VanDerWaalsContact C-OG1 3.32Å; E236-T239 WeakPolarHBondContact CA-OG1 3.34Å; E236-T239 PolarHBondContact O-N 2.98Å; E236-T239 PolarHBondContact O-OG1 2.82Å; T239-I242 PolarHBondContact O-N 2.88Å; T239-E243 WeakPolarHBondContact O-CB 3.19Å; T239-E243 PolarHBondContact O-N 2.93Å |
| 240 | L | 83.3 | Confident | 75.7 | Confident | 71 Ų | 71 | 113.5 Ų | 113.5 | 37% | 0.372 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.8 | -38.6 | 176.2 | -71 | 171.8 | 0 | 0 | 0 | 111.8 | F232 E236 L237 E243 N244 | F232-L240 HydrophobicContact CD1-CD1 3.69Å; F232-L240 HydrophobicContact CE1-CD1 3.6Å; F232-L240 HydrophobicContact CG-CD1 4.43Å; F232-L240 HydrophobicContact CZ-CD1 4.23Å; E236-L240 VanDerWaalsContact O-CG 3.31Å; E236-L240 WeakPolarHBondContact O-CG 3.47Å; E236-L240 PolarHBondContact O-N 2.79Å; L237-L240 PolarHBondContact O-N 3.39Å; L240-E243 PolarHBondContact O-N 3.28Å; L240-N244 VanDerWaalsContact O-CB 3.23Å; L240-N244 WeakPolarHBondContact O-CB 3.35Å; L240-N244 PolarHBondContact O-N 2.86Å |
| 241 | E | 82.8 | Confident | 76.9 | Confident | 141 Ų | 141 | 113 Ų | 113 | 66% | 0.659 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.9 | -43.9 | 175 | -172 | 176.9 | -165.7 | 0 | 0 | 111.5 | L237 R238 N244 Q245 | L237-E241 WeakPolarHBondContact O-CB 3.46Å; L237-E241 PolarHBondContact O-N 3.45Å; R238-E241 PolarHBondContact O-N 2.93Å; E241-N244 PolarHBondContact O-N 3.41Å; E241-Q245 WeakPolarHBondContact O-CB 3.43Å; E241-Q245 PolarHBondContact O-N 3.07Å |
| 242 | I | 83.8 | Confident | 78.4 | Confident | 78 Ų | 78 | 109 Ų | 109 | 40% | 0.4 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.6 | -45.2 | 175.3 | -68.3 | 165.3 | 0 | 0 | 0 | 110.9 | R238 T239 N244 Q245 I246 | R238-I242 HydrophobicContact CG-CD1 4.07Å; R238-I242 WeakPolarHBondContact O-CD1 3.28Å; R238-I242 VanDerWaalsContact O-CG1 3.24Å; R238-I242 WeakPolarHBondContact O-CG1 3.28Å; R238-I242 PolarHBondContact O-N 3.36Å; T239-I242 PolarHBondContact O-N 2.88Å; I242-N244 PolarHBondContact O-N 3.29Å; I242-Q245 PolarHBondContact O-N 2.95Å; I242-I246 HydrophobicContact CG2-CD1 3.77Å; I242-I246 HydrophobicContact CG2-CG1 4.42Å; I242-I246 VanDerWaalsContact O-CG1 3.31Å; I242-I246 WeakPolarHBondContact O-CG1 3.32Å; I242-I246 PolarHBondContact O-N 2.79Å |
| 243 | E | 81.1 | Confident | 79.4 | Confident | 126 Ų | 126 | 110.9 Ų | 110.9 | 59% | 0.589 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.8 | -44.1 | 178.1 | -175.1 | 178.4 | 173.2 | 0 | 0 | 111.4 | T239 L240 Q245 I246 L247 | T239-E243 WeakPolarHBondContact O-CB 3.19Å; T239-E243 PolarHBondContact O-N 2.93Å; L240-E243 PolarHBondContact O-N 3.28Å; E243-Q245 VanDerWaalsContact C-N 3.32Å; E243-Q245 PolarHBondContact O-N 3.3Å; E243-I246 PolarHBondContact O-N 2.89Å; E243-L247 VanDerWaalsContact O-CB 3.32Å; E243-L247 WeakPolarHBondContact O-CB 3.26Å; E243-L247 PolarHBondContact O-N 3.4Å |
| 244 | N | 84.4 | Confident | 80.1 | Confident | 109 Ų | 109 | 110.7 Ų | 110.7 | 58% | 0.583 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.7 | -41.1 | 176.1 | -163.9 | -31.1 | 0 | 0 | 0 | 111.3 | L240 E241 I242 L247 Y248 | L240-N244 VanDerWaalsContact O-CB 3.23Å; L240-N244 WeakPolarHBondContact O-CB 3.35Å; L240-N244 PolarHBondContact O-N 2.86Å; E241-N244 PolarHBondContact O-N 3.41Å; I242-N244 PolarHBondContact O-N 3.29Å; N244-L247 PolarHBondContact O-N 3.16Å; N244-Y248 VanDerWaalsContact O-CB 3.28Å; N244-Y248 WeakPolarHBondContact O-CB 3.11Å; N244-Y248 PolarHBondContact O-N 2.84Å |
| 245 | Q | 81.6 | Confident | 80.2 | Confident | 118 Ų | 118 | 106.7 Ų | 106.7 | 55% | 0.551 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.6 | -44.7 | 175.4 | -172.9 | 178.4 | 18.4 | 0 | 0 | 112.4 | E241 I242 E243 Y248 Q249 | E241-Q245 WeakPolarHBondContact O-CB 3.43Å; E241-Q245 PolarHBondContact O-N 3.07Å; I242-Q245 PolarHBondContact O-N 2.95Å; E243-Q245 VanDerWaalsContact C-N 3.32Å; E243-Q245 PolarHBondContact O-N 3.3Å; Q245-Y248 PolarHBondContact O-N 3.44Å; Q245-Q249 WeakPolarHBondContact O-CB 3.44Å; Q245-Q249 WeakPolarHBondContact O-CG 3.44Å; Q245-Q249 PolarHBondContact O-N 3.38Å |
| 246 | I | 84 | Confident | 80.4 | Confident | 101 Ų | 101 | 105.1 Ų | 105.1 | 52% | 0.518 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 177.6 | -69 | 167.1 | 0 | 0 | 0 | 110.1 | I242 E243 Y248 Q249 H250 | I242-I246 HydrophobicContact CG2-CD1 3.77Å; I242-I246 HydrophobicContact CG2-CG1 4.42Å; I242-I246 VanDerWaalsContact O-CG1 3.31Å; I242-I246 WeakPolarHBondContact O-CG1 3.32Å; I242-I246 PolarHBondContact O-N 2.79Å; E243-I246 PolarHBondContact O-N 2.89Å; I246-Y248 VanDerWaalsContact C-N 3.33Å; I246-Y248 PolarHBondContact O-N 2.86Å; I246-Q249 PolarHBondContact O-N 2.7Å; I246-H250 WeakPolarHBondContact O-CB 3.48Å; I246-H250 PolarHBondContact O-N 3.12Å |
| 247 | L | 80.2 | Confident | 80.3 | Confident | 113 Ų | 113 | 105.5 Ų | 105.5 | 59% | 0.592 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.2 | -41.3 | 178.9 | -173.1 | 62 | 0 | 0 | 0 | 111.4 | E243 N244 H250 F251 | E243-L247 VanDerWaalsContact O-CB 3.32Å; E243-L247 WeakPolarHBondContact O-CB 3.26Å; E243-L247 PolarHBondContact O-N 3.4Å; N244-L247 PolarHBondContact O-N 3.16Å; L247-H250 PolarHBondContact O-N 2.89Å; L247-F251 WeakPolarHBondContact O-CB 3.43Å; L247-F251 PolarHBondContact O-N 3.39Å |
| 248 | Y | 82.3 | Confident | 79.9 | Confident | 160 Ų | 160 | 102.4 Ų | 102.4 | 63% | 0.627 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.1 | -41.3 | 175.2 | -173 | -93.4 | 0 | 0 | 0 | 112.3 | N244 Q245 I246 F251 T252 | N244-Y248 VanDerWaalsContact O-CB 3.28Å; N244-Y248 WeakPolarHBondContact O-CB 3.11Å; N244-Y248 PolarHBondContact O-N 2.84Å; Q245-Y248 PolarHBondContact O-N 3.44Å; I246-Y248 VanDerWaalsContact C-N 3.33Å; I246-Y248 PolarHBondContact O-N 2.86Å; Y248-F251 PolarHBondContact O-N 2.88Å; Y248-T252 WeakPolarHBondContact O-CB 3.33Å; Y248-T252 PolarHBondContact O-N 3.42Å; Y248-T252 PolarHBondContact O-OG1 2.89Å |
| 249 | Q | 80.9 | Confident | 79.6 | Confident | 112 Ų | 112 | 98.6 Ų | 98.6 | 52% | 0.523 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.7 | -46.2 | 174.5 | -77.6 | 178.9 | -9.2 | 0 | 0 | 111.4 | Q245 I246 F251 T252 Q253 | Q245-Q249 WeakPolarHBondContact O-CB 3.44Å; Q245-Q249 WeakPolarHBondContact O-CG 3.44Å; Q245-Q249 PolarHBondContact O-N 3.38Å; I246-Q249 PolarHBondContact O-N 2.7Å; Q249-F251 PolarHBondContact O-N 3.35Å; Q249-T252 PolarHBondContact O-N 3.21Å; Q249-Q253 PolarHBondContact O-N 2.79Å |
| 250 | H | 78.3 | Confident | 79.3 | Confident | 112 Ų | 112 | 101 Ų | 101 | 52% | 0.519 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59 | -47.4 | 176.6 | -175.2 | -83.9 | 0 | 0 | 0 | 111.4 | I246 L247 T252 Q253 E254 | I246-H250 WeakPolarHBondContact O-CB 3.48Å; I246-H250 PolarHBondContact O-N 3.12Å; L247-H250 PolarHBondContact O-N 2.89Å; H250-T252 VanDerWaalsContact C-N 3.3Å; H250-T252 PolarHBondContact O-N 3.46Å; H250-Q253 PolarHBondContact O-N 3.3Å; H250-E254 WeakPolarHBondContact O-CB 3.26Å; H250-E254 PolarHBondContact O-N 3.48Å |
| 251 | F | 78.9 | Confident | 78.6 | Confident | 117 Ų | 117 | 100.6 Ų | 100.6 | 51% | 0.513 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.9 | -37.5 | 177 | -174.7 | -104.4 | 0 | 0 | 0 | 112.5 | L247 Y248 Q249 K255 | L247-F251 WeakPolarHBondContact O-CB 3.43Å; L247-F251 PolarHBondContact O-N 3.39Å; Y248-F251 PolarHBondContact O-N 2.88Å; Q249-F251 PolarHBondContact O-N 3.35Å; F251-K255 VanDerWaalsContact O-CB 3.28Å; F251-K255 WeakPolarHBondContact O-CB 3.49Å; F251-K255 PolarHBondContact O-N 2.79Å |
| 252 | T | 77.7 | Confident | 77.8 | Confident | 44 Ų | 44 | 95.1 Ų | 95.1 | 27% | 0.27 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.5 | -43 | 176.9 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | Y248 Q249 H250 K255 D256 | Y248-T252 WeakPolarHBondContact O-CB 3.33Å; Y248-T252 PolarHBondContact O-N 3.42Å; Y248-T252 PolarHBondContact O-OG1 2.89Å; Q249-T252 PolarHBondContact O-N 3.21Å; H250-T252 VanDerWaalsContact C-N 3.3Å; H250-T252 PolarHBondContact O-N 3.46Å; T252-K255 WeakPolarHBondContact O-CB 3.44Å; T252-K255 PolarHBondContact O-N 3.27Å; T252-D256 VanDerWaalsContact O-CG 3.31Å; T252-D256 PolarHBondContact O-N 3.4Å |
| 253 | Q | 78.5 | Confident | 77.3 | Confident | 117 Ų | 117 | 98.6 Ų | 98.6 | 55% | 0.547 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 175.5 | -178.6 | -178.4 | -18.2 | 0 | 0 | 111.1 | Q249 H250 K255 D256 E257 | Q249-Q253 PolarHBondContact O-N 2.79Å; H250-Q253 PolarHBondContact O-N 3.3Å; Q253-K255 VanDerWaalsContact C-N 3.3Å; Q253-K255 PolarHBondContact O-N 3.13Å; Q253-D256 PolarHBondContact O-N 3.43Å; Q253-E257 PolarHBondContact NE2-OE1 3.48Å; Q253-E257 WeakPolarHBondContact O-CG 3.38Å; Q253-E257 PolarHBondContact O-N 3.03Å |
| 254 | E | 78.1 | Confident | 76.9 | Confident | 83 Ų | 83 | 97.9 Ų | 97.9 | 39% | 0.388 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.7 | -43.7 | 177.1 | -171.9 | -177.1 | 172.8 | 0 | 0 | 110.7 | H250 D256 E257 L258 | H250-E254 WeakPolarHBondContact O-CB 3.26Å; H250-E254 PolarHBondContact O-N 3.48Å; E254-D256 VanDerWaalsContact C-N 3.29Å; E254-D256 PolarHBondContact O-N 3.46Å; E254-E257 PolarHBondContact O-N 2.86Å; E254-L258 WeakPolarHBondContact O-CB 3.33Å; E254-L258 WeakPolarHBondContact O-CG 3.47Å; E254-L258 PolarHBondContact O-N 2.93Å |
| 255 | K | 74.9 | Confident | 76 | Confident | 79 Ų | 79 | 94.4 Ų | 94.4 | 34% | 0.343 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.9 | -40.4 | 174.8 | -170.3 | -160.7 | 66.1 | 62.2 | 0 | 112 | F251 T252 Q253 L258 H259 | F251-K255 VanDerWaalsContact O-CB 3.28Å; F251-K255 WeakPolarHBondContact O-CB 3.49Å; F251-K255 PolarHBondContact O-N 2.79Å; T252-K255 WeakPolarHBondContact O-CB 3.44Å; T252-K255 PolarHBondContact O-N 3.27Å; Q253-K255 VanDerWaalsContact C-N 3.3Å; Q253-K255 PolarHBondContact O-N 3.13Å; K255-L258 WeakPolarHBondContact O-CB 3.42Å; K255-L258 PolarHBondContact O-N 2.79Å; K255-H259 PolarHBondContact NZ-CD2 3.2Å; K255-H259 PolarHBondContact NZ-NE2 3.35Å; K255-H259 VanDerWaalsContact NZ-NE2 3.16Å; K255-H259 PolarHBondContact O-CD2 3.01Å; K255-H259 PolarHBondContact O-N 2.88Å |
| 256 | D | 78.8 | Confident | 75.4 | Confident | 84 Ų | 84 | 92.8 Ų | 92.8 | 45% | 0.449 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -72.4 | -38.3 | -178.9 | -71.8 | -13 | 0 | 0 | 0 | 112.1 | T252 Q253 E254 L258 H259 Q260 | T252-D256 VanDerWaalsContact O-CG 3.31Å; T252-D256 PolarHBondContact O-N 3.4Å; Q253-D256 PolarHBondContact O-N 3.43Å; E254-D256 VanDerWaalsContact C-N 3.29Å; E254-D256 PolarHBondContact O-N 3.46Å; D256-L258 VanDerWaalsContact C-N 3.33Å; D256-H259 PolarHBondContact O-N 3.48Å; D256-Q260 PolarHBondContact O-N 3.31Å |
| 257 | E | 76.8 | Confident | 74.5 | Confident | 99 Ų | 99 | 92.1 Ų | 92.1 | 46% | 0.463 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.5 | -44.5 | 169 | -70.4 | 178.2 | -165.2 | 0 | 0 | 110.9 | Q253 E254 H259 Q260 V261 | Q253-E257 PolarHBondContact NE2-OE1 3.48Å; Q253-E257 WeakPolarHBondContact O-CG 3.38Å; Q253-E257 PolarHBondContact O-N 3.03Å; E254-E257 PolarHBondContact O-N 2.86Å; E257-H259 PolarHBondContact O-N 3.41Å; E257-Q260 WeakPolarHBondContact O-CB 3.26Å; E257-Q260 PolarHBondContact O-N 3.05Å; E257-Q260 VanDerWaalsContact O-N 3.11Å; E257-V261 WeakPolarHBondContact O-CG2 3.47Å; E257-V261 PolarHBondContact O-N 2.9Å |
| 258 | L | 72.6 | Confident | 73.9 | Confident | 40 Ų | 40 | 90.2 Ų | 90.2 | 21% | 0.209 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 175.4 | -71.8 | 179.3 | 0 | 0 | 0 | 113 | T186 E254 K255 D256 Q260 V261 A262 | T186-L258 HydrophobicContact CG2-CD2 3.13Å; E254-L258 WeakPolarHBondContact O-CB 3.33Å; E254-L258 WeakPolarHBondContact O-CG 3.47Å; E254-L258 PolarHBondContact O-N 2.93Å; K255-L258 WeakPolarHBondContact O-CB 3.42Å; K255-L258 PolarHBondContact O-N 2.79Å; D256-L258 VanDerWaalsContact C-N 3.33Å; L258-Q260 VanDerWaalsContact C-N 3.31Å; L258-V261 PolarHBondContact O-N 3.43Å; L258-A262 WeakPolarHBondContact O-CB 3.29Å; L258-A262 PolarHBondContact O-N 2.94Å |
| 259 | H | 73.1 | Confident | 73 | Confident | 87 Ų | 87 | 84.3 Ų | 84.3 | 40% | 0.403 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.5 | -37.5 | 173.3 | -79.2 | -66 | 0 | 0 | 0 | 112.1 | K255 D256 E257 A262 K263 | K255-H259 PolarHBondContact NZ-CD2 3.2Å; K255-H259 PolarHBondContact NZ-NE2 3.35Å; K255-H259 VanDerWaalsContact NZ-NE2 3.16Å; K255-H259 PolarHBondContact O-CD2 3.01Å; K255-H259 PolarHBondContact O-N 2.88Å; D256-H259 PolarHBondContact O-N 3.48Å; E257-H259 PolarHBondContact O-N 3.41Å; H259-A262 PolarHBondContact O-N 2.9Å; H259-K263 WeakPolarHBondContact O-CB 3.3Å; H259-K263 PolarHBondContact O-N 3.32Å |
| 260 | Q | 72.7 | Confident | 72.3 | Confident | 129 Ų | 129 | 85.1 Ų | 85.1 | 60% | 0.603 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -63.9 | -45.6 | 175.6 | -169 | -177.2 | 55.4 | 0 | 0 | 110.7 | D256 E257 L258 K263 K264 | D256-Q260 PolarHBondContact O-N 3.31Å; E257-Q260 WeakPolarHBondContact O-CB 3.26Å; E257-Q260 PolarHBondContact O-N 3.05Å; E257-Q260 VanDerWaalsContact O-N 3.11Å; L258-Q260 VanDerWaalsContact C-N 3.31Å; Q260-K263 WeakPolarHBondContact O-CB 3.48Å; Q260-K263 PolarHBondContact O-N 2.85Å; Q260-K264 WeakPolarHBondContact O-CG 3.42Å; Q260-K264 PolarHBondContact O-N 2.96Å |
| 261 | V | 69.2 | Low | 71.9 | Confident | 63 Ų | 63 | 84.8 Ų | 84.8 | 38% | 0.382 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 175.1 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | E257 L258 K263 K264 I265 | E257-V261 WeakPolarHBondContact O-CG2 3.47Å; E257-V261 PolarHBondContact O-N 2.9Å; L258-V261 PolarHBondContact O-N 3.43Å; V261-K263 VanDerWaalsContact C-N 3.3Å; V261-K263 PolarHBondContact O-N 3.23Å; V261-K264 CarbonylContact O-C 3.5Å; V261-K264 WeakPolarHBondContact O-CB 3.42Å; V261-K264 PolarHBondContact O-N 2.76Å; V261-K264 VanDerWaalsContact O-N 3.1Å; V261-I265 HydrophobicContact CG1-CD1 3.85Å; V261-I265 HydrophobicContact CG1-CG1 4.41Å; V261-I265 WeakPolarHBondContact O-CG1 3.49Å; V261-I265 PolarHBondContact O-N 3.29Å |
| 262 | A | 66.4 | Low | 71.3 | Confident | 26 Ų | 26 | 80.9 Ų | 80.9 | 22% | 0.215 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59.9 | -39.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V188 L258 H259 I265 S266 | V188-A262 HydrophobicContact CG1-CB 3.89Å; V188-A262 HydrophobicContact CG2-CB 4.38Å; L258-A262 WeakPolarHBondContact O-CB 3.29Å; L258-A262 PolarHBondContact O-N 2.94Å; H259-A262 PolarHBondContact O-N 2.9Å; A262-I265 PolarHBondContact O-N 2.97Å; A262-S266 WeakPolarHBondContact O-CB 3.38Å; A262-S266 PolarHBondContact O-N 2.89Å |
| 263 | K | 72.3 | Confident | 70.7 | Confident | 152 Ų | 152 | 82.9 Ų | 82.9 | 66% | 0.661 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -63.4 | -43.3 | 173.9 | -175.5 | 178.9 | -179.8 | 179.7 | 0 | 111.2 | H259 Q260 V261 S266 E267 | H259-K263 WeakPolarHBondContact O-CB 3.3Å; H259-K263 PolarHBondContact O-N 3.32Å; Q260-K263 WeakPolarHBondContact O-CB 3.48Å; Q260-K263 PolarHBondContact O-N 2.85Å; V261-K263 VanDerWaalsContact C-N 3.3Å; V261-K263 PolarHBondContact O-N 3.23Å; K263-S266 WeakPolarHBondContact O-CB 3.32Å; K263-S266 PolarHBondContact O-N 3.34Å; K263-E267 WeakPolarHBondContact O-CB 3.34Å; K263-E267 PolarHBondContact O-N 3.05Å |
| 264 | K | 73.9 | Confident | 70.2 | Confident | 110 Ų | 110 | 79.3 Ų | 79.3 | 48% | 0.478 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 175.4 | -68.6 | -58 | 179.7 | -172.9 | 0 | 112.5 | Q260 V261 S266 E267 I268 | Q260-K264 WeakPolarHBondContact O-CG 3.42Å; Q260-K264 PolarHBondContact O-N 2.96Å; V261-K264 CarbonylContact O-C 3.5Å; V261-K264 WeakPolarHBondContact O-CB 3.42Å; V261-K264 PolarHBondContact O-N 2.76Å; V261-K264 VanDerWaalsContact O-N 3.1Å; K264-S266 VanDerWaalsContact C-N 3.35Å; K264-E267 WeakPolarHBondContact CD-OE2 3.25Å; K264-E267 IonicContact NZ-OE2 3.79Å; K264-E267 PolarHBondContact NZ-OE2 3.41Å; K264-E267 WeakPolarHBondContact O-CB 3.42Å; K264-E267 PolarHBondContact O-N 2.94Å; K264-I268 WeakPolarHBondContact O-CD1 3.41Å; K264-I268 VanDerWaalsContact O-CG1 3.23Å; K264-I268 WeakPolarHBondContact O-CG1 3.39Å; K264-I268 PolarHBondContact O-N 2.89Å |
| 265 | I | 65.8 | Low | 69.8 | Low | 36 Ų | 36 | 79.6 Ų | 79.6 | 19% | 0.185 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 173.7 | -67.6 | 166.5 | 0 | 0 | 0 | 110.8 | V181 V261 A262 E267 I268 G269 | V181-I265 HydrophobicContact CG1-CG1 4.39Å; V261-I265 HydrophobicContact CG1-CD1 3.85Å; V261-I265 HydrophobicContact CG1-CG1 4.41Å; V261-I265 WeakPolarHBondContact O-CG1 3.49Å; V261-I265 PolarHBondContact O-N 3.29Å; A262-I265 PolarHBondContact O-N 2.97Å; I265-E267 VanDerWaalsContact C-N 3.34Å; I265-I268 PolarHBondContact O-N 2.98Å; I265-G269 PolarHBondContact O-N 2.87Å |
| 266 | S | 68.1 | Low | 69.4 | Low | 85 Ų | 85 | 76.2 Ų | 76.2 | 59% | 0.594 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64.1 | -38.6 | 174.6 | -173.3 | 0 | 0 | 0 | 0 | 112.3 | A262 K263 K264 G269 H270 | A262-S266 WeakPolarHBondContact O-CB 3.38Å; A262-S266 PolarHBondContact O-N 2.89Å; K263-S266 WeakPolarHBondContact O-CB 3.32Å; K263-S266 PolarHBondContact O-N 3.34Å; K264-S266 VanDerWaalsContact C-N 3.35Å; S266-G269 PolarHBondContact O-N 3.38Å; S266-H270 PolarHBondContact O-N 3.26Å |
| 267 | E | 65.4 | Low | 69 | Low | 86 Ų | 86 | 78.4 Ų | 78.4 | 40% | 0.402 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 176.4 | -172.1 | 176.7 | -173.8 | 0 | 0 | 110.9 | K263 K264 I265 G269 H270 L271 | K263-E267 WeakPolarHBondContact O-CB 3.34Å; K263-E267 PolarHBondContact O-N 3.05Å; K264-E267 WeakPolarHBondContact CD-OE2 3.25Å; K264-E267 IonicContact NZ-OE2 3.79Å; K264-E267 PolarHBondContact NZ-OE2 3.41Å; K264-E267 WeakPolarHBondContact O-CB 3.42Å; K264-E267 PolarHBondContact O-N 2.94Å; I265-E267 VanDerWaalsContact C-N 3.34Å; E267-G269 VanDerWaalsContact C-N 3.32Å; E267-G269 PolarHBondContact O-N 3.38Å; E267-H270 PolarHBondContact O-N 3.11Å; E267-L271 HydrophobicContact CG-CD1 4.49Å; E267-L271 PolarHBondContact O-N 2.92Å |
| 268 | I | 66.7 | Low | 68.8 | Low | 74 Ų | 74 | 78.6 Ų | 78.6 | 38% | 0.379 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 170.8 | -67.9 | 162.4 | 0 | 0 | 0 | 110.5 | K264 I265 H270 L271 N272 | K264-I268 WeakPolarHBondContact O-CD1 3.41Å; K264-I268 VanDerWaalsContact O-CG1 3.23Å; K264-I268 WeakPolarHBondContact O-CG1 3.39Å; K264-I268 PolarHBondContact O-N 2.89Å; I265-I268 PolarHBondContact O-N 2.98Å; I268-H270 VanDerWaalsContact C-N 3.31Å; I268-H270 PolarHBondContact O-N 3.47Å; I268-L271 PolarHBondContact O-N 3.48Å; I268-N272 VanDerWaalsContact O-CB 3.28Å; I268-N272 WeakPolarHBondContact O-CB 3.43Å; I268-N272 PolarHBondContact O-N 2.92Å; I268-N272 PolarHBondContact O-ND2 3.35Å |
| 269 | G | 64.4 | Low | 68.5 | Low | 35 Ų | 35 | 79 Ų | 79 | 36% | 0.361 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.1 | -41.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | I265 S266 E267 Q273 | I265-G269 PolarHBondContact O-N 2.87Å; S266-G269 PolarHBondContact O-N 3.38Å; E267-G269 VanDerWaalsContact C-N 3.32Å; E267-G269 PolarHBondContact O-N 3.38Å; G269-Q273 PolarHBondContact O-N 3.36Å; G269-Q273 VanDerWaalsContact O-N 3.13Å |
| 270 | H | 65.5 | Low | 68.3 | Low | 130 Ų | 130 | 76.3 Ų | 76.3 | 60% | 0.602 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -67 | -49.7 | 175.3 | -179.1 | 60.1 | 0 | 0 | 0 | 112.2 | S266 E267 I268 N272 Q273 T274 | S266-H270 PolarHBondContact O-N 3.26Å; E267-H270 PolarHBondContact O-N 3.11Å; I268-H270 VanDerWaalsContact C-N 3.31Å; I268-H270 PolarHBondContact O-N 3.47Å; H270-N272 PolarHBondContact O-N 2.98Å; H270-Q273 WeakPolarHBondContact O-CB 3.44Å; H270-Q273 PolarHBondContact O-N 3.47Å; H270-T274 PolarHBondContact O-N 3.33Å; H270-T274 PolarHBondContact O-OG1 2.98Å |
| 271 | L | 69.8 | Low | 68.4 | Low | 105 Ų | 105 | 75.5 Ų | 75.5 | 55% | 0.55 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -56.8 | -38.2 | 175.4 | -89.7 | 157 | 0 | 0 | 0 | 112.2 | E267 I268 T274 L275 | E267-L271 HydrophobicContact CG-CD1 4.49Å; E267-L271 PolarHBondContact O-N 2.92Å; I268-L271 PolarHBondContact O-N 3.48Å; L271-T274 PolarHBondContact O-N 3.39Å; L271-L275 VanDerWaalsContact O-CB 3.29Å; L271-L275 WeakPolarHBondContact O-CB 3.49Å; L271-L275 PolarHBondContact O-N 3.42Å |
| 272 | N | 66.1 | Low | 68.4 | Low | 34 Ų | 34 | 78.3 Ų | 78.3 | 18% | 0.182 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -66.6 | -39.4 | 176.3 | -77.5 | -17.1 | 0 | 0 | 0 | 112.3 | L174 V178 I268 H270 T274 S276 | L174-N272 HydrophobicContact CD2-CB 4.09Å; V178-N272 VanDerWaalsContact CG2-ND2 3.3Å; V178-N272 WeakPolarHBondContact CG2-ND2 3.45Å; I268-N272 VanDerWaalsContact O-CB 3.28Å; I268-N272 WeakPolarHBondContact O-CB 3.43Å; I268-N272 PolarHBondContact O-N 2.92Å; I268-N272 PolarHBondContact O-ND2 3.35Å; H270-N272 PolarHBondContact O-N 2.98Å; N272-T274 VanDerWaalsContact C-N 3.34Å; N272-S276 VanDerWaalsContact O-CB 3.32Å; N272-S276 WeakPolarHBondContact O-CB 3.15Å; N272-S276 PolarHBondContact O-N 3.39Å; N272-S276 PolarHBondContact O-OG 3.33Å |
| 273 | Q | 65.7 | Low | 68.8 | Low | 87 Ų | 87 | 77.6 Ų | 77.6 | 41% | 0.407 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.9 | -47.1 | 173.6 | -175.3 | 66.4 | 21.8 | 0 | 0 | 110.3 | L72 G269 H270 S276 E277 | L72-Q273 PolarHBondContact O-NE2 3.35Å; G269-Q273 PolarHBondContact O-N 3.36Å; G269-Q273 VanDerWaalsContact O-N 3.13Å; H270-Q273 WeakPolarHBondContact O-CB 3.44Å; H270-Q273 PolarHBondContact O-N 3.47Å; Q273-S276 PolarHBondContact O-N 2.96Å; Q273-E277 PolarHBondContact O-N 3.38Å |
| 274 | T | 68.9 | Low | 68.9 | Low | 41 Ų | 41 | 74.4 Ų | 74.4 | 25% | 0.252 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 178.4 | -57.7 | 0 | 0 | 0 | 0 | 112.5 | H270 L271 N272 S276 E277 H278 | H270-T274 PolarHBondContact O-N 3.33Å; H270-T274 PolarHBondContact O-OG1 2.98Å; L271-T274 PolarHBondContact O-N 3.39Å; N272-T274 VanDerWaalsContact C-N 3.34Å; T274-S276 PolarHBondContact O-N 3.49Å; T274-E277 WeakPolarHBondContact O-CB 3.31Å; T274-E277 PolarHBondContact O-N 3.02Å; T274-H278 PolarHBondContact O-CD2 2.88Å; T274-H278 PolarHBondContact O-N 3.5Å |
| 275 | L | 69.5 | Low | 68.9 | Low | 90 Ų | 90 | 72 Ų | 72 | 47% | 0.471 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.3 | -41.4 | 176.1 | 174.6 | 61.5 | 0 | 0 | 0 | 111 | L271 H278 L279 | L271-L275 VanDerWaalsContact O-CB 3.29Å; L271-L275 WeakPolarHBondContact O-CB 3.49Å; L271-L275 PolarHBondContact O-N 3.42Å; L275-H278 PolarHBondContact O-N 2.86Å; L275-L279 WeakPolarHBondContact O-CB 3.41Å; L275-L279 PolarHBondContact O-N 2.9Å |
| 276 | S | 65.8 | Low | 69.5 | Low | 8 Ų | 8 | 73.6 Ų | 73.6 | 6% | 0.056 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -74.6 | -30.7 | -178.1 | -50.8 | 0 | 0 | 0 | 0 | 112.9 | L174 N272 Q273 T274 M280 | L174-S276 VanDerWaalsContact CD1-OG 3.26Å; L174-S276 WeakPolarHBondContact CD1-OG 3.3Å; N272-S276 VanDerWaalsContact O-CB 3.32Å; N272-S276 WeakPolarHBondContact O-CB 3.15Å; N272-S276 PolarHBondContact O-N 3.39Å; N272-S276 PolarHBondContact O-OG 3.33Å; Q273-S276 PolarHBondContact O-N 2.96Å; T274-S276 PolarHBondContact O-N 3.49Å; S276-M280 WeakPolarHBondContact O-CB 3.34Å; S276-M280 PolarHBondContact O-N 2.92Å |
| 277 | E | 70.3 | Confident | 70 | Confident | 129 Ų | 129 | 72.7 Ų | 72.7 | 60% | 0.603 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.2 | -50.5 | 168.3 | -179.5 | 172 | -164.2 | 0 | 0 | 110.8 | Q273 T274 L279 M280 E281 | Q273-E277 PolarHBondContact O-N 3.38Å; T274-E277 WeakPolarHBondContact O-CB 3.31Å; T274-E277 PolarHBondContact O-N 3.02Å; E277-L279 VanDerWaalsContact C-N 3.31Å; E277-L279 PolarHBondContact O-N 3.02Å; E277-M280 WeakPolarHBondContact O-CB 3.49Å; E277-M280 PolarHBondContact O-N 3.49Å; E277-E281 PolarHBondContact O-N 3.24Å |
| 278 | H | 72.1 | Confident | 70.8 | Confident | 103 Ų | 103 | 74.4 Ų | 74.4 | 48% | 0.477 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.3 | -33.5 | 176.1 | -72.1 | -56.3 | 0 | 0 | 0 | 113.3 | T274 L275 E281 Q282 | T274-H278 PolarHBondContact O-CD2 2.88Å; T274-H278 PolarHBondContact O-N 3.5Å; L275-H278 PolarHBondContact O-N 2.86Å; H278-E281 IonicContact ND1-OE2 3.54Å; H278-E281 WeakPolarHBondContact O-CB 3.48Å; H278-E281 PolarHBondContact O-N 3.18Å; H278-Q282 WeakPolarHBondContact O-CB 3.18Å; H278-Q282 PolarHBondContact O-N 2.85Å |
| 279 | L | 67 | Low | 71.4 | Confident | 48 Ų | 48 | 76.3 Ų | 76.3 | 25% | 0.251 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -70.2 | -38.8 | 175.7 | -164.9 | 161.9 | 0 | 0 | 0 | 111 | F170 L275 E277 E281 Q282 L283 | F170-L279 HydrophobicContact CD1-CD1 3.9Å; F170-L279 HydrophobicContact CD2-CD1 4.45Å; F170-L279 HydrophobicContact CE1-CD1 3.54Å; F170-L279 HydrophobicContact CE2-CD1 4.14Å; F170-L279 HydrophobicContact CG-CD1 4.35Å; F170-L279 HydrophobicContact CZ-CD1 3.68Å; L275-L279 WeakPolarHBondContact O-CB 3.41Å; L275-L279 PolarHBondContact O-N 2.9Å; E277-L279 VanDerWaalsContact C-N 3.31Å; E277-L279 PolarHBondContact O-N 3.02Å; L279-E281 VanDerWaalsContact C-N 3.31Å; L279-E281 PolarHBondContact O-N 2.82Å; L279-Q282 CarbonylContact O-C 3.56Å; L279-Q282 WeakPolarHBondContact O-CB 3.35Å; L279-Q282 PolarHBondContact O-N 3.42Å; L279-Q282 VanDerWaalsContact O-N 3.16Å; L279-L283 WeakPolarHBondContact O-CB 3.26Å; L279-L283 PolarHBondContact O-N 3.27Å |
| 280 | M | 68.8 | Low | 72.2 | Confident | 32 Ų | 32 | 77 Ų | 77 | 16% | 0.158 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.6 | -44 | 173 | 177 | 62.5 | -167.5 | 0 | 0 | 111 | L167 S276 E277 L283 E284 | L167-M280 HydrophobicContact CD1-SD 3.94Å; L167-M280 HydrophobicContact CD2-SD 4.2Å; S276-M280 WeakPolarHBondContact O-CB 3.34Å; S276-M280 PolarHBondContact O-N 2.92Å; E277-M280 WeakPolarHBondContact O-CB 3.49Å; E277-M280 PolarHBondContact O-N 3.49Å; M280-L283 PolarHBondContact O-N 2.75Å; M280-E284 PolarHBondContact O-N 3.32Å; M280-E284 VanDerWaalsContact O-N 3.12Å |
| 281 | E | 74.1 | Confident | 73.1 | Confident | 112 Ų | 112 | 75.5 Ų | 75.5 | 52% | 0.523 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.7 | -47 | 171.3 | -175 | -178.1 | -172.3 | 0 | 0 | 111.2 | E277 H278 L279 L283 E284 T285 | E277-E281 PolarHBondContact O-N 3.24Å; H278-E281 IonicContact ND1-OE2 3.54Å; H278-E281 WeakPolarHBondContact O-CB 3.48Å; H278-E281 PolarHBondContact O-N 3.18Å; L279-E281 VanDerWaalsContact C-N 3.31Å; L279-E281 PolarHBondContact O-N 2.82Å; E281-L283 VanDerWaalsContact C-N 3.27Å; E281-L283 PolarHBondContact O-N 2.97Å; E281-E284 WeakPolarHBondContact O-CB 3.45Å; E281-E284 PolarHBondContact O-N 3.44Å; E281-E284 VanDerWaalsContact O-N 3.13Å; E281-T285 WeakPolarHBondContact O-CG2 3.4Å; E281-T285 PolarHBondContact O-N 3.08Å |
| 282 | Q | 70.8 | Confident | 73.7 | Confident | 122 Ų | 122 | 74.1 Ų | 74.1 | 57% | 0.57 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -60.5 | -36.2 | 177.6 | -172.2 | 178.5 | -0.9 | 0 | 0 | 112.1 | H278 L279 T285 T286 | H278-Q282 WeakPolarHBondContact O-CB 3.18Å; H278-Q282 PolarHBondContact O-N 2.85Å; L279-Q282 CarbonylContact O-C 3.56Å; L279-Q282 WeakPolarHBondContact O-CB 3.35Å; L279-Q282 PolarHBondContact O-N 3.42Å; L279-Q282 VanDerWaalsContact O-N 3.16Å; Q282-T285 WeakPolarHBondContact CA-OG1 3.43Å; Q282-T285 PolarHBondContact O-N 3.1Å; Q282-T285 PolarHBondContact O-OG1 3.44Å; Q282-T286 WeakPolarHBondContact O-CB 3.46Å; Q282-T286 PolarHBondContact O-N 2.73Å; Q282-T286 PolarHBondContact O-OG1 3.47Å |
| 283 | L | 73.2 | Confident | 74.7 | Confident | 10 Ų | 10 | 75.9 Ų | 75.9 | 5% | 0.052 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -67.4 | -39.9 | 176.9 | -175.1 | 146.1 | 0 | 0 | 0 | 111.5 | R163 R166 L279 M280 E281 T286 E287 | R163-L283 HydrophobicContact CB-CD2 4.17Å; R163-L283 HydrophobicContact CG-CD1 4.36Å; R163-L283 HydrophobicContact CG-CD2 3.47Å; R163-L283 VanDerWaalsContact CG-CD2 3.47Å; R166-L283 HydrophobicContact CB-CD1 4.31Å; L279-L283 WeakPolarHBondContact O-CB 3.26Å; L279-L283 PolarHBondContact O-N 3.27Å; M280-L283 PolarHBondContact O-N 2.75Å; E281-L283 VanDerWaalsContact C-N 3.27Å; E281-L283 PolarHBondContact O-N 2.97Å; L283-T286 PolarHBondContact O-N 3.3Å; L283-E287 PolarHBondContact O-N 2.99Å |
| 284 | E | 74.7 | Confident | 75.9 | Confident | 85 Ų | 85 | 75.8 Ų | 75.8 | 40% | 0.397 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61 | -45.1 | 171.1 | -174.9 | -171.8 | 159.2 | 0 | 0 | 111 | M280 E281 T286 E287 K288 | M280-E284 PolarHBondContact O-N 3.32Å; M280-E284 VanDerWaalsContact O-N 3.12Å; E281-E284 WeakPolarHBondContact O-CB 3.45Å; E281-E284 PolarHBondContact O-N 3.44Å; E281-E284 VanDerWaalsContact O-N 3.13Å; E284-T286 VanDerWaalsContact C-N 3.29Å; E284-T286 PolarHBondContact O-N 3.31Å; E284-E287 PolarHBondContact O-N 2.99Å; E284-K288 WeakPolarHBondContact O-CG 3.47Å; E284-K288 PolarHBondContact O-N 2.89Å; E284-K288 VanDerWaalsContact OE1-CE 3.25Å; E284-K288 WeakPolarHBondContact OE1-CE 3.28Å; E284-K288 IonicContact OE1-NZ 2.87Å; E284-K288 PolarHBondContact OE1-NZ 2.83Å |
| 285 | T | 75.3 | Confident | 76.8 | Confident | 60 Ų | 60 | 76.9 Ų | 76.9 | 37% | 0.368 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.5 | -36.4 | 176 | 67.1 | 0 | 0 | 0 | 0 | 112.3 | E281 Q282 K288 I289 | E281-T285 WeakPolarHBondContact O-CG2 3.4Å; E281-T285 PolarHBondContact O-N 3.08Å; Q282-T285 WeakPolarHBondContact CA-OG1 3.43Å; Q282-T285 PolarHBondContact O-N 3.1Å; Q282-T285 PolarHBondContact O-OG1 3.44Å; T285-K288 PolarHBondContact O-N 3.26Å; T285-I289 WeakPolarHBondContact O-CB 3.06Å; T285-I289 WeakPolarHBondContact O-CD1 3.41Å; T285-I289 WeakPolarHBondContact O-CG1 3.46Å; T285-I289 PolarHBondContact O-N 2.82Å |
| 286 | T | 78.3 | Confident | 77.8 | Confident | 69 Ų | 69 | 74.6 Ų | 74.6 | 42% | 0.423 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -68.5 | -39.8 | 179.4 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | Q282 L283 E284 I289 A290 | Q282-T286 WeakPolarHBondContact O-CB 3.46Å; Q282-T286 PolarHBondContact O-N 2.73Å; Q282-T286 PolarHBondContact O-OG1 3.47Å; L283-T286 PolarHBondContact O-N 3.3Å; E284-T286 VanDerWaalsContact C-N 3.29Å; E284-T286 PolarHBondContact O-N 3.31Å; T286-I289 PolarHBondContact O-N 2.69Å; T286-A290 WeakPolarHBondContact O-CB 3.49Å; T286-A290 PolarHBondContact O-N 2.84Å |
| 287 | E | 78.1 | Confident | 79 | Confident | 67 Ų | 67 | 77.8 Ų | 77.8 | 31% | 0.313 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63 | -45.9 | 173.9 | -173.7 | 169.1 | -162.7 | 0 | 0 | 110.9 | L283 E284 I289 A290 D291 | L283-E287 PolarHBondContact O-N 2.99Å; E284-E287 PolarHBondContact O-N 2.99Å; E287-I289 VanDerWaalsContact C-N 3.31Å; E287-I289 PolarHBondContact O-N 3.3Å; E287-A290 WeakPolarHBondContact O-CB 3.32Å; E287-A290 PolarHBondContact O-N 3.44Å; E287-A290 VanDerWaalsContact O-N 3.12Å; E287-D291 PolarHBondContact O-N 2.95Å |
| 288 | K | 81.2 | Confident | 80.1 | Confident | 122 Ų | 122 | 75.2 Ų | 75.2 | 53% | 0.53 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59.2 | -40.3 | 173.6 | -71.1 | 175.2 | -175 | 168.1 | 0 | 112.6 | E284 T285 S292 | E284-K288 WeakPolarHBondContact O-CG 3.47Å; E284-K288 PolarHBondContact O-N 2.89Å; E284-K288 VanDerWaalsContact OE1-CE 3.25Å; E284-K288 WeakPolarHBondContact OE1-CE 3.28Å; E284-K288 IonicContact OE1-NZ 2.87Å; E284-K288 PolarHBondContact OE1-NZ 2.83Å; T285-K288 PolarHBondContact O-N 3.26Å; K288-S292 VanDerWaalsContact O-CB 3.22Å; K288-S292 WeakPolarHBondContact O-CB 3.45Å; K288-S292 PolarHBondContact O-N 3.06Å |
| 289 | I | 80.3 | Confident | 81 | Confident | 114 Ų | 114 | 77.6 Ų | 77.6 | 59% | 0.585 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -66.4 | -41.3 | 175.9 | -69.7 | 162.7 | 0 | 0 | 0 | 110.5 | T285 T286 E287 S292 S293 | T285-I289 WeakPolarHBondContact O-CB 3.06Å; T285-I289 WeakPolarHBondContact O-CD1 3.41Å; T285-I289 WeakPolarHBondContact O-CG1 3.46Å; T285-I289 PolarHBondContact O-N 2.82Å; T286-I289 PolarHBondContact O-N 2.69Å; E287-I289 VanDerWaalsContact C-N 3.31Å; E287-I289 PolarHBondContact O-N 3.3Å; I289-S292 PolarHBondContact O-N 3.23Å; I289-S293 VanDerWaalsContact O-CB 3.29Å; I289-S293 WeakPolarHBondContact O-CB 3.4Å; I289-S293 PolarHBondContact O-N 3.19Å |
| 290 | A | 80.4 | Confident | 82.3 | Confident | 49 Ų | 49 | 80.4 Ų | 80.4 | 41% | 0.405 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.4 | -46.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | T286 E287 S293 V294 | T286-A290 WeakPolarHBondContact O-CB 3.49Å; T286-A290 PolarHBondContact O-N 2.84Å; E287-A290 WeakPolarHBondContact O-CB 3.32Å; E287-A290 PolarHBondContact O-N 3.44Å; E287-A290 VanDerWaalsContact O-N 3.12Å; A290-S293 WeakPolarHBondContact O-CB 3.22Å; A290-S293 PolarHBondContact O-N 3.29Å; A290-V294 WeakPolarHBondContact O-CG2 3.49Å; A290-V294 PolarHBondContact O-N 3.28Å |
| 291 | D | 84.3 | Confident | 83.5 | Confident | 98 Ų | 98 | 85.3 Ų | 85.3 | 52% | 0.524 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 175.7 | -74.7 | -14 | 0 | 0 | 0 | 111.8 | E287 S293 V294 T295 | E287-D291 PolarHBondContact O-N 2.95Å; D291-S293 VanDerWaalsContact C-N 3.29Å; D291-S293 PolarHBondContact O-N 3.39Å; D291-V294 PolarHBondContact O-N 3.43Å; D291-T295 VanDerWaalsContact O-CB 3.31Å; D291-T295 WeakPolarHBondContact O-CB 3.41Å; D291-T295 PolarHBondContact O-N 3.19Å; D291-T295 PolarHBondContact O-OG1 3.19Å |
| 292 | S | 83.9 | Confident | 84.4 | Confident | 77 Ų | 77 | 84.3 Ų | 84.3 | 54% | 0.538 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.8 | -37 | 174.3 | -175.4 | 0 | 0 | 0 | 0 | 111.6 | K288 I289 T295 A296 | K288-S292 VanDerWaalsContact O-CB 3.22Å; K288-S292 WeakPolarHBondContact O-CB 3.45Å; K288-S292 PolarHBondContact O-N 3.06Å; I289-S292 PolarHBondContact O-N 3.23Å; S292-T295 PolarHBondContact O-N 3.28Å; S292-A296 WeakPolarHBondContact O-CB 3.42Å; S292-A296 PolarHBondContact O-N 2.63Å |
| 293 | S | 86.3 | Confident | 85.4 | Confident | 70 Ų | 70 | 80.1 Ų | 80.1 | 49% | 0.49 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67 | -46.5 | 176.9 | -176 | 0 | 0 | 0 | 0 | 110.5 | I289 A290 D291 T295 A296 T297 | I289-S293 VanDerWaalsContact O-CB 3.29Å; I289-S293 WeakPolarHBondContact O-CB 3.4Å; I289-S293 PolarHBondContact O-N 3.19Å; A290-S293 WeakPolarHBondContact O-CB 3.22Å; A290-S293 PolarHBondContact O-N 3.29Å; D291-S293 VanDerWaalsContact C-N 3.29Å; D291-S293 PolarHBondContact O-N 3.39Å; S293-T295 VanDerWaalsContact C-N 3.32Å; S293-T295 PolarHBondContact O-N 2.93Å; S293-A296 PolarHBondContact O-N 3.23Å; S293-T297 VanDerWaalsContact O-CG2 3.32Å; S293-T297 WeakPolarHBondContact O-CG2 3.47Å; S293-T297 PolarHBondContact O-N 2.93Å; S293-T297 PolarHBondContact O-OG1 3.29Å |
| 294 | V | 89.7 | Confident | 86.4 | Confident | 86 Ų | 86 | 84.4 Ų | 84.4 | 52% | 0.521 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60 | -46 | 175.1 | 172.5 | 0 | 0 | 0 | 0 | 110.1 | A290 D291 A296 T297 E298 | A290-V294 WeakPolarHBondContact O-CG2 3.49Å; A290-V294 PolarHBondContact O-N 3.28Å; D291-V294 PolarHBondContact O-N 3.43Å; V294-A296 PolarHBondContact O-N 2.98Å; V294-T297 WeakPolarHBondContact CA-OG1 3.44Å; V294-T297 PolarHBondContact O-N 3.21Å; V294-T297 VanDerWaalsContact O-N 3.17Å; V294-T297 PolarHBondContact O-OG1 3.32Å; V294-E298 PolarHBondContact O-N 2.86Å |
| 295 | T | 89.2 | Confident | 87.3 | Confident | 63 Ų | 63 | 84.2 Ų | 84.2 | 39% | 0.387 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 177.5 | -54.5 | 0 | 0 | 0 | 0 | 111.5 | D291 S292 S293 T297 E298 Y299 | D291-T295 VanDerWaalsContact O-CB 3.31Å; D291-T295 WeakPolarHBondContact O-CB 3.41Å; D291-T295 PolarHBondContact O-N 3.19Å; D291-T295 PolarHBondContact O-OG1 3.19Å; S292-T295 PolarHBondContact O-N 3.28Å; S293-T295 VanDerWaalsContact C-N 3.32Å; S293-T295 PolarHBondContact O-N 2.93Å; T295-T297 PolarHBondContact O-N 2.94Å; T295-E298 PolarHBondContact O-N 3.41Å; T295-Y299 HydrophobicContact CG2-CD2 3.93Å; T295-Y299 HydrophobicContact CG2-CE2 3.42Å; T295-Y299 VanDerWaalsContact CG2-CE2 3.42Å; T295-Y299 VanDerWaalsContact O-CD2 3.31Å; T295-Y299 WeakPolarHBondContact O-CD2 3.21Å; T295-Y299 PolarHBondContact O-N 2.87Å |
| 296 | A | 89.5 | Confident | 88 | Confident | 42 Ų | 42 | 87.3 Ų | 87.3 | 35% | 0.347 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S292 S293 V294 E298 Y299 I300 | S292-A296 WeakPolarHBondContact O-CB 3.42Å; S292-A296 PolarHBondContact O-N 2.63Å; S293-A296 PolarHBondContact O-N 3.23Å; V294-A296 PolarHBondContact O-N 2.98Å; A296-E298 VanDerWaalsContact C-N 3.32Å; A296-E298 PolarHBondContact O-N 3.49Å; A296-Y299 PolarHBondContact O-N 3.47Å; A296-I300 VanDerWaalsContact O-CG1 3.28Å; A296-I300 WeakPolarHBondContact O-CG1 3.43Å; A296-I300 PolarHBondContact O-N 3.33Å |
| 297 | T | 92.1 | Very high | 88.6 | Confident | 75 Ų | 75 | 88.9 Ų | 88.9 | 46% | 0.46 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.8 | -37.8 | 174 | 60.7 | 0 | 0 | 0 | 0 | 112.3 | S293 V294 T295 I300 R301 | S293-T297 VanDerWaalsContact O-CG2 3.32Å; S293-T297 WeakPolarHBondContact O-CG2 3.47Å; S293-T297 PolarHBondContact O-N 2.93Å; S293-T297 PolarHBondContact O-OG1 3.29Å; V294-T297 WeakPolarHBondContact CA-OG1 3.44Å; V294-T297 PolarHBondContact O-N 3.21Å; V294-T297 VanDerWaalsContact O-N 3.17Å; V294-T297 PolarHBondContact O-OG1 3.32Å; T295-T297 PolarHBondContact O-N 2.94Å; T297-I300 PolarHBondContact O-N 3.43Å; T297-R301 WeakPolarHBondContact O-CB 3.33Å; T297-R301 PolarHBondContact O-N 3.4Å |
| 298 | E | 92.9 | Very high | 89.1 | Confident | 75 Ų | 75 | 92.6 Ų | 92.6 | 35% | 0.35 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.6 | -40.7 | 173.7 | -77.2 | -58.3 | 134.7 | 0 | 0 | 112.1 | V294 T295 A296 R301 Q302 | V294-E298 PolarHBondContact O-N 2.86Å; T295-E298 PolarHBondContact O-N 3.41Å; A296-E298 VanDerWaalsContact C-N 3.32Å; A296-E298 PolarHBondContact O-N 3.49Å; E298-R301 PolarHBondContact O-N 2.79Å; E298-R301 IonicContact OE1-NE 3.31Å; E298-R301 IonicContact OE2-CZ 3.1Å; E298-R301 VanDerWaalsContact OE2-CZ 3.31Å; E298-R301 IonicContact OE2-NE 2.89Å; E298-R301 PolarHBondContact OE2-NE 3.41Å; E298-R301 IonicContact OE2-NH2 2.93Å; E298-R301 PolarHBondContact OE2-NH2 3.28Å; E298-Q302 WeakPolarHBondContact O-CB 3.46Å; E298-Q302 VanDerWaalsContact O-CG 3.26Å; E298-Q302 WeakPolarHBondContact O-CG 3.42Å; E298-Q302 PolarHBondContact O-N 2.92Å |
| 299 | Y | 92 | Very high | 89.4 | Confident | 154 Ų | 154 | 92 Ų | 92 | 60% | 0.604 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.6 | -39.6 | 173.7 | -73.1 | -44.4 | 0 | 0 | 0 | 112.4 | T295 A296 Q302 G303 | T295-Y299 HydrophobicContact CG2-CD2 3.93Å; T295-Y299 HydrophobicContact CG2-CE2 3.42Å; T295-Y299 VanDerWaalsContact CG2-CE2 3.42Å; T295-Y299 VanDerWaalsContact O-CD2 3.31Å; T295-Y299 WeakPolarHBondContact O-CD2 3.21Å; T295-Y299 PolarHBondContact O-N 2.87Å; A296-Y299 PolarHBondContact O-N 3.47Å; Y299-Q302 PolarHBondContact O-N 3.16Å; Y299-G303 PolarHBondContact O-N 2.89Å |
| 300 | I | 93.8 | Very high | 89.5 | Confident | 107 Ų | 107 | 89.1 Ų | 89.1 | 55% | 0.549 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 174.2 | -68.9 | 165.6 | 0 | 0 | 0 | 110.2 | A296 T297 Q302 G303 N304 | A296-I300 VanDerWaalsContact O-CG1 3.28Å; A296-I300 WeakPolarHBondContact O-CG1 3.43Å; A296-I300 PolarHBondContact O-N 3.33Å; T297-I300 PolarHBondContact O-N 3.43Å; I300-Q302 PolarHBondContact O-N 2.91Å; I300-G303 PolarHBondContact O-N 2.84Å; I300-N304 WeakPolarHBondContact O-CB 3.28Å; I300-N304 VanDerWaalsContact O-CG 3.26Å; I300-N304 PolarHBondContact O-N 3.16Å; I300-N304 PolarHBondContact O-ND2 2.94Å |
| 301 | R | 92.8 | Very high | 89.7 | Confident | 135 Ų | 135 | 92 Ų | 92 | 51% | 0.509 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 177.4 | -171.5 | -171.1 | 66.5 | 73.6 | 1.5 | 111.7 | T297 E298 N304 E305 | T297-R301 WeakPolarHBondContact O-CB 3.33Å; T297-R301 PolarHBondContact O-N 3.4Å; E298-R301 PolarHBondContact O-N 2.79Å; E298-R301 IonicContact OE1-NE 3.31Å; E298-R301 IonicContact OE2-CZ 3.1Å; E298-R301 VanDerWaalsContact OE2-CZ 3.31Å; E298-R301 IonicContact OE2-NE 2.89Å; E298-R301 PolarHBondContact OE2-NE 3.41Å; E298-R301 IonicContact OE2-NH2 2.93Å; E298-R301 PolarHBondContact OE2-NH2 3.28Å; R301-N304 PolarHBondContact O-N 2.93Å; R301-E305 PolarHBondContact O-N 3.29Å; R301-E305 VanDerWaalsContact O-N 3.08Å |
| 302 | Q | 93.1 | Very high | 89.5 | Confident | 90 Ų | 90 | 91.6 Ų | 91.6 | 42% | 0.421 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 176 | -72.4 | 172.7 | 47.4 | 0 | 0 | 111.5 | E298 Y299 I300 N304 E305 L306 | E298-Q302 WeakPolarHBondContact O-CB 3.46Å; E298-Q302 VanDerWaalsContact O-CG 3.26Å; E298-Q302 WeakPolarHBondContact O-CG 3.42Å; E298-Q302 PolarHBondContact O-N 2.92Å; Y299-Q302 PolarHBondContact O-N 3.16Å; I300-Q302 PolarHBondContact O-N 2.91Å; Q302-N304 VanDerWaalsContact C-N 3.31Å; Q302-N304 PolarHBondContact O-N 3.47Å; Q302-E305 PolarHBondContact O-N 3.47Å; Q302-L306 WeakPolarHBondContact O-CG 3.35Å; Q302-L306 PolarHBondContact O-N 3.44Å |
| 303 | G | 92.5 | Very high | 89.3 | Confident | 35 Ų | 35 | 90 Ų | 90 | 36% | 0.361 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59 | -40.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y299 I300 L306 L307 | Y299-G303 PolarHBondContact O-N 2.89Å; I300-G303 PolarHBondContact O-N 2.84Å; G303-L306 PolarHBondContact O-N 3.15Å; G303-L307 WeakPolarHBondContact O-CB 3.42Å; G303-L307 PolarHBondContact O-N 3.5Å |
| 304 | N | 94.5 | Very high | 89.1 | Confident | 99 Ų | 99 | 93.2 Ų | 93.2 | 53% | 0.529 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.3 | -39.3 | 175.7 | -74.1 | -19.7 | 0 | 0 | 0 | 112.6 | I300 R301 Q302 L307 R308 | I300-N304 WeakPolarHBondContact O-CB 3.28Å; I300-N304 VanDerWaalsContact O-CG 3.26Å; I300-N304 PolarHBondContact O-N 3.16Å; I300-N304 PolarHBondContact O-ND2 2.94Å; R301-N304 PolarHBondContact O-N 2.93Å; Q302-N304 VanDerWaalsContact C-N 3.31Å; Q302-N304 PolarHBondContact O-N 3.47Å; N304-L307 PolarHBondContact O-N 3.01Å; N304-R308 WeakPolarHBondContact O-CB 3.43Å; N304-R308 PolarHBondContact O-N 3.32Å |
| 305 | E | 93.1 | Very high | 88.4 | Confident | 82 Ų | 82 | 91.9 Ų | 91.9 | 38% | 0.383 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.6 | -44.5 | 175.8 | -167.7 | 62.2 | -135.9 | 0 | 0 | 111.2 | R301 Q302 L307 R308 E309 | R301-E305 PolarHBondContact O-N 3.29Å; R301-E305 VanDerWaalsContact O-N 3.08Å; Q302-E305 PolarHBondContact O-N 3.47Å; E305-L307 VanDerWaalsContact C-N 3.3Å; E305-L307 PolarHBondContact O-N 2.91Å; E305-R308 PolarHBondContact O-N 3.39Å; E305-R308 VanDerWaalsContact O-N 3.16Å; E305-R308 IonicContact OE1-CZ 3.91Å; E305-R308 IonicContact OE1-NE 2.7Å; E305-R308 PolarHBondContact OE1-NE 3.49Å; E305-R308 IonicContact OE1-NH2 3.7Å; E305-R308 PolarHBondContact OE1-NH2 3.37Å; E305-R308 IonicContact OE2-CZ 2.88Å; E305-R308 IonicContact OE2-NE 2.89Å; E305-R308 IonicContact OE2-NH2 3.29Å; E305-R308 PolarHBondContact OE2-NH2 2.85Å; E305-E309 WeakPolarHBondContact O-CB 3.44Å; E305-E309 PolarHBondContact O-N 3.26Å |
| 306 | L | 89.5 | Confident | 88 | Confident | 125 Ų | 125 | 92.8 Ų | 92.8 | 65% | 0.654 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.7 | -38.7 | 175.4 | -69 | 173.8 | 0 | 0 | 0 | 111.9 | Q302 G303 E309 A310 | Q302-L306 WeakPolarHBondContact O-CG 3.35Å; Q302-L306 PolarHBondContact O-N 3.44Å; G303-L306 PolarHBondContact O-N 3.15Å; L306-E309 PolarHBondContact O-N 3.28Å; L306-A310 VanDerWaalsContact O-CB 3.28Å; L306-A310 WeakPolarHBondContact O-CB 3.39Å; L306-A310 PolarHBondContact O-N 3.06Å |
| 307 | L | 90.8 | Very high | 87.7 | Confident | 102 Ų | 102 | 95 Ų | 95 | 53% | 0.534 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 174.6 | -177.2 | 62.8 | 0 | 0 | 0 | 111.1 | G303 N304 E305 A310 I311 | G303-L307 WeakPolarHBondContact O-CB 3.42Å; G303-L307 PolarHBondContact O-N 3.5Å; N304-L307 PolarHBondContact O-N 3.01Å; E305-L307 VanDerWaalsContact C-N 3.3Å; E305-L307 PolarHBondContact O-N 2.91Å; L307-A310 PolarHBondContact O-N 3.31Å; L307-I311 HydrophobicContact CD1-CD1 4.37Å; L307-I311 HydrophobicContact CG-CD1 4.06Å; L307-I311 VanDerWaalsContact O-CG1 3.25Å; L307-I311 WeakPolarHBondContact O-CG1 3.37Å; L307-I311 PolarHBondContact O-N 2.93Å |
| 308 | R | 89 | Confident | 87.4 | Confident | 144 Ų | 144 | 97.2 Ų | 97.2 | 54% | 0.543 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 176.6 | -171.9 | 166.7 | 72.3 | 158.2 | 0.1 | 111.6 | N304 E305 I311 N312 | N304-R308 WeakPolarHBondContact O-CB 3.43Å; N304-R308 PolarHBondContact O-N 3.32Å; E305-R308 PolarHBondContact O-N 3.39Å; E305-R308 VanDerWaalsContact O-N 3.16Å; E305-R308 IonicContact OE1-CZ 3.91Å; E305-R308 IonicContact OE1-NE 2.7Å; E305-R308 PolarHBondContact OE1-NE 3.49Å; E305-R308 IonicContact OE1-NH2 3.7Å; E305-R308 PolarHBondContact OE1-NH2 3.37Å; E305-R308 IonicContact OE2-CZ 2.88Å; E305-R308 IonicContact OE2-NE 2.89Å; E305-R308 IonicContact OE2-NH2 3.29Å; E305-R308 PolarHBondContact OE2-NH2 2.85Å; R308-I311 PolarHBondContact O-N 2.72Å; R308-N312 PolarHBondContact O-N 3.35Å; R308-N312 PolarHBondContact O-ND2 3.23Å |
| 309 | E | 87.8 | Confident | 87.2 | Confident | 111 Ų | 111 | 100.1 Ų | 100.1 | 52% | 0.519 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 174.8 | -168.7 | 58.5 | -141.5 | 0 | 0 | 111.5 | E305 L306 I311 N312 S313 | E305-E309 WeakPolarHBondContact O-CB 3.44Å; E305-E309 PolarHBondContact O-N 3.26Å; L306-E309 PolarHBondContact O-N 3.28Å; E309-I311 PolarHBondContact O-N 2.97Å; E309-N312 PolarHBondContact O-N 3.28Å; E309-S313 WeakPolarHBondContact O-CB 3.48Å; E309-S313 PolarHBondContact O-N 2.92Å; E309-S313 PolarHBondContact O-OG 2.94Å |
| 310 | A | 83.3 | Confident | 87 | Confident | 53 Ų | 53 | 100 Ų | 100 | 44% | 0.438 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.1 | -39 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L306 L307 S313 K314 | L306-A310 VanDerWaalsContact O-CB 3.28Å; L306-A310 WeakPolarHBondContact O-CB 3.39Å; L306-A310 PolarHBondContact O-N 3.06Å; L307-A310 PolarHBondContact O-N 3.31Å; A310-S313 VanDerWaalsContact CA-OG 3.28Å; A310-S313 WeakPolarHBondContact CA-OG 3.47Å; A310-S313 PolarHBondContact O-OG 3.44Å; A310-K314 WeakPolarHBondContact O-CB 3.48Å; A310-K314 PolarHBondContact O-N 3.24Å |
| 311 | I | 83.8 | Confident | 86.8 | Confident | 109 Ų | 109 | 101.1 Ų | 101.1 | 56% | 0.559 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.5 | -46.1 | 175.9 | -69.2 | 164.1 | 0 | 0 | 0 | 110.7 | L307 R308 E309 K314 | L307-I311 HydrophobicContact CD1-CD1 4.37Å; L307-I311 HydrophobicContact CG-CD1 4.06Å; L307-I311 VanDerWaalsContact O-CG1 3.25Å; L307-I311 WeakPolarHBondContact O-CG1 3.37Å; L307-I311 PolarHBondContact O-N 2.93Å; R308-I311 PolarHBondContact O-N 2.72Å; E309-I311 PolarHBondContact O-N 2.97Å; I311-K314 PolarHBondContact O-N 3.12Å |
| 312 | N | 80.8 | Confident | 86.7 | Confident | 89 Ų | 89 | 99.4 Ų | 99.4 | 48% | 0.476 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.2 | -42.9 | 178.8 | -70.2 | -22.4 | 0 | 0 | 0 | 112 | R308 E309 K314 A315 T316 | R308-N312 PolarHBondContact O-N 3.35Å; R308-N312 PolarHBondContact O-ND2 3.23Å; E309-N312 PolarHBondContact O-N 3.28Å; N312-K314 VanDerWaalsContact C-N 3.3Å; N312-K314 PolarHBondContact O-N 3.41Å; N312-A315 PolarHBondContact O-N 2.91Å; N312-T316 PolarHBondContact O-N 3.37Å; N312-T316 PolarHBondContact O-OG1 2.96Å |
| 313 | S | 79.4 | Confident | 86.7 | Confident | 45 Ų | 45 | 99.6 Ų | 99.6 | 32% | 0.315 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.2 | -32.1 | 177.7 | 61.4 | 0 | 0 | 0 | 0 | 112.3 | E309 A310 A315 T316 V317 | E309-S313 WeakPolarHBondContact O-CB 3.48Å; E309-S313 PolarHBondContact O-N 2.92Å; E309-S313 PolarHBondContact O-OG 2.94Å; A310-S313 VanDerWaalsContact CA-OG 3.28Å; A310-S313 WeakPolarHBondContact CA-OG 3.47Å; A310-S313 PolarHBondContact O-OG 3.44Å; S313-A315 VanDerWaalsContact C-N 3.29Å; S313-A315 PolarHBondContact O-N 2.91Å; S313-T316 CarbonylContact O-C 3.55Å; S313-T316 WeakPolarHBondContact O-CB 3.46Å; S313-T316 PolarHBondContact O-N 3.4Å; S313-T316 VanDerWaalsContact O-N 3.13Å; S313-V317 WeakPolarHBondContact O-CB 3.26Å; S313-V317 VanDerWaalsContact O-CG2 3.29Å; S313-V317 WeakPolarHBondContact O-CG2 3.44Å; S313-V317 PolarHBondContact O-N 3.23Å |
| 314 | K | 81.2 | Confident | 86.8 | Confident | 137 Ų | 137 | 102.2 Ų | 102.2 | 60% | 0.596 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -57 | -42.1 | 173.3 | -175.4 | 178.7 | 177.5 | -179.4 | 0 | 111.9 | A310 I311 N312 V317 Q318 | A310-K314 WeakPolarHBondContact O-CB 3.48Å; A310-K314 PolarHBondContact O-N 3.24Å; I311-K314 PolarHBondContact O-N 3.12Å; N312-K314 VanDerWaalsContact C-N 3.3Å; N312-K314 PolarHBondContact O-N 3.41Å; K314-V317 PolarHBondContact O-N 2.88Å; K314-Q318 VanDerWaalsContact O-CG 3.3Å; K314-Q318 WeakPolarHBondContact O-CG 3.3Å; K314-Q318 PolarHBondContact O-N 2.9Å |
| 315 | A | 75.7 | Confident | 86.8 | Confident | 58 Ų | 58 | 102.8 Ų | 102.8 | 48% | 0.479 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.5 | -43 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | N312 S313 V317 Q318 F319 | N312-A315 PolarHBondContact O-N 2.91Å; S313-A315 VanDerWaalsContact C-N 3.29Å; S313-A315 PolarHBondContact O-N 2.91Å; A315-V317 PolarHBondContact O-N 3.48Å; A315-Q318 PolarHBondContact O-N 2.89Å; A315-F319 PolarHBondContact O-N 2.95Å |
| 316 | T | 81.4 | Confident | 86.8 | Confident | 81 Ų | 81 | 103.5 Ų | 103.5 | 50% | 0.497 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 176.3 | -54.3 | 0 | 0 | 0 | 0 | 112.2 | N312 S313 F319 W320 | N312-T316 PolarHBondContact O-N 3.37Å; N312-T316 PolarHBondContact O-OG1 2.96Å; S313-T316 CarbonylContact O-C 3.55Å; S313-T316 WeakPolarHBondContact O-CB 3.46Å; S313-T316 PolarHBondContact O-N 3.4Å; S313-T316 VanDerWaalsContact O-N 3.13Å; T316-F319 PolarHBondContact O-N 3.28Å; T316-W320 WeakPolarHBondContact O-CB 3.5Å; T316-W320 PolarHBondContact O-N 3.21Å |
| 317 | V | 82.5 | Confident | 87.1 | Confident | 89 Ų | 89 | 101.3 Ų | 101.3 | 54% | 0.539 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 176.9 | 171.1 | 0 | 0 | 0 | 0 | 111 | S313 K314 A315 W320 M321 | S313-V317 WeakPolarHBondContact O-CB 3.26Å; S313-V317 VanDerWaalsContact O-CG2 3.29Å; S313-V317 WeakPolarHBondContact O-CG2 3.44Å; S313-V317 PolarHBondContact O-N 3.23Å; K314-V317 PolarHBondContact O-N 2.88Å; A315-V317 PolarHBondContact O-N 3.48Å; V317-W320 PolarHBondContact O-N 3.47Å; V317-M321 HydrophobicContact CG1-CG 4.44Å; V317-M321 VanDerWaalsContact O-CG 3.31Å; V317-M321 WeakPolarHBondContact O-CG 3.28Å; V317-M321 PolarHBondContact O-N 3.39Å |
| 318 | Q | 85 | Confident | 87.2 | Confident | 122 Ų | 122 | 101.2 Ų | 101.2 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.3 | -45.5 | 175.6 | -75.5 | 176 | -24.2 | 0 | 0 | 112 | K314 A315 M321 L322 | K314-Q318 VanDerWaalsContact O-CG 3.3Å; K314-Q318 WeakPolarHBondContact O-CG 3.3Å; K314-Q318 PolarHBondContact O-N 2.9Å; A315-Q318 PolarHBondContact O-N 2.89Å; Q318-M321 PolarHBondContact O-N 3.45Å; Q318-L322 PolarHBondContact O-N 3.09Å; Q318-L322 VanDerWaalsContact O-N 3.11Å |
| 319 | F | 88.4 | Confident | 87.4 | Confident | 136 Ų | 136 | 98.4 Ų | 98.4 | 60% | 0.596 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.6 | -44.6 | 175.9 | -178.3 | -94.4 | 0 | 0 | 0 | 111.8 | A315 T316 M321 L322 F323 | A315-F319 PolarHBondContact O-N 2.95Å; T316-F319 PolarHBondContact O-N 3.28Å; F319-M321 PolarHBondContact O-N 3.17Å; F319-L322 PolarHBondContact O-N 2.95Å; F319-F323 WeakPolarHBondContact O-CB 3.47Å; F319-F323 PolarHBondContact O-N 3.41Å |
| 320 | W | 88.6 | Confident | 87.7 | Confident | 151 Ų | 151 | 98.9 Ų | 98.9 | 57% | 0.572 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.5 | -42.2 | 177.1 | -96.9 | 95.8 | 0 | 0 | 0 | 113 | T316 V317 L322 F323 I324 | T316-W320 WeakPolarHBondContact O-CB 3.5Å; T316-W320 PolarHBondContact O-N 3.21Å; V317-W320 PolarHBondContact O-N 3.47Å; W320-L322 VanDerWaalsContact C-N 3.33Å; W320-L322 PolarHBondContact O-N 3.17Å; W320-F323 HydrophobicContact CE3-CD1 4.49Å; W320-F323 HydrophobicContact CZ3-CD1 4.45Å; W320-F323 PolarHBondContact O-N 3.45Å; W320-I324 HydrophobicContact CE3-CD1 4.18Å; W320-I324 HydrophobicContact CE3-CG1 4.33Å; W320-I324 WeakPolarHBondContact O-CB 3.48Å; W320-I324 VanDerWaalsContact O-CG1 3.3Å; W320-I324 WeakPolarHBondContact O-CG1 3.49Å; W320-I324 PolarHBondContact O-N 2.98Å |
| 321 | M | 89.1 | Confident | 88.2 | Confident | 131 Ų | 131 | 99.5 Ų | 99.5 | 65% | 0.645 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.8 | -43.3 | 175.4 | -75 | -70.1 | -73.5 | 0 | 0 | 111.6 | V317 Q318 F319 I324 L325 | V317-M321 HydrophobicContact CG1-CG 4.44Å; V317-M321 VanDerWaalsContact O-CG 3.31Å; V317-M321 WeakPolarHBondContact O-CG 3.28Å; V317-M321 PolarHBondContact O-N 3.39Å; Q318-M321 PolarHBondContact O-N 3.45Å; F319-M321 PolarHBondContact O-N 3.17Å; M321-I324 PolarHBondContact O-N 2.88Å; M321-L325 WeakPolarHBondContact O-CB 3.39Å; M321-L325 PolarHBondContact O-N 3.27Å |
| 322 | L | 91.7 | Very high | 88.4 | Confident | 99 Ų | 99 | 99.3 Ų | 99.3 | 52% | 0.518 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.2 | -39.4 | 178 | -170.6 | 138.3 | 0 | 0 | 0 | 111.9 | Q318 F319 W320 L325 I326 | Q318-L322 PolarHBondContact O-N 3.09Å; Q318-L322 VanDerWaalsContact O-N 3.11Å; F319-L322 PolarHBondContact O-N 2.95Å; W320-L322 VanDerWaalsContact C-N 3.33Å; W320-L322 PolarHBondContact O-N 3.17Å; L322-L325 WeakPolarHBondContact O-CB 3.33Å; L322-L325 PolarHBondContact O-N 3.4Å; L322-I326 HydrophobicContact CD2-CD1 3.72Å; L322-I326 PolarHBondContact O-N 3.41Å |
| 323 | F | 93.6 | Very high | 88.7 | Confident | 93 Ų | 93 | 100.5 Ų | 100.5 | 41% | 0.408 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 175.6 | -176.5 | -109.4 | 0 | 0 | 0 | 112.1 | F319 W320 L325 I326 I327 | F319-F323 WeakPolarHBondContact O-CB 3.47Å; F319-F323 PolarHBondContact O-N 3.41Å; W320-F323 HydrophobicContact CE3-CD1 4.49Å; W320-F323 HydrophobicContact CZ3-CD1 4.45Å; W320-F323 PolarHBondContact O-N 3.45Å; F323-L325 VanDerWaalsContact C-N 3.31Å; F323-L325 PolarHBondContact O-N 3.16Å; F323-I326 PolarHBondContact O-N 3.1Å; F323-I327 HydrophobicContact CD1-CD1 3.66Å; F323-I327 HydrophobicContact CE1-CD1 3.21Å; F323-I327 HydrophobicContact CE1-CG1 4.38Å; F323-I327 HydrophobicContact CE2-CD1 4.18Å; F323-I327 HydrophobicContact CG-CD1 4.32Å; F323-I327 HydrophobicContact CZ-CD1 3.51Å; F323-I327 HydrophobicContact CZ-CG1 4.38Å; F323-I327 WeakPolarHBondContact O-CG1 3.28Å; F323-I327 PolarHBondContact O-N 3.28Å |
| 324 | I | 93.6 | Very high | 89.2 | Confident | 90 Ų | 90 | 103.1 Ų | 103.1 | 46% | 0.462 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 174.6 | -70.9 | 165.8 | 0 | 0 | 0 | 110.7 | W320 M321 I326 I327 L328 | W320-I324 HydrophobicContact CE3-CD1 4.18Å; W320-I324 HydrophobicContact CE3-CG1 4.33Å; W320-I324 WeakPolarHBondContact O-CB 3.48Å; W320-I324 VanDerWaalsContact O-CG1 3.3Å; W320-I324 WeakPolarHBondContact O-CG1 3.49Å; W320-I324 PolarHBondContact O-N 2.98Å; M321-I324 PolarHBondContact O-N 2.88Å; I324-I326 VanDerWaalsContact C-N 3.35Å; I324-I326 PolarHBondContact O-N 2.83Å; I324-I327 PolarHBondContact O-N 2.89Å; I324-L328 WeakPolarHBondContact O-CB 3.33Å; I324-L328 PolarHBondContact O-N 3.05Å |
| 325 | L | 94 | Very high | 89.5 | Confident | 112 Ų | 112 | 102.2 Ų | 102.2 | 59% | 0.586 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.9 | -43.3 | 177.4 | -169.5 | 102.5 | 0 | 0 | 0 | 111.7 | M321 L322 F323 L328 T329 | M321-L325 WeakPolarHBondContact O-CB 3.39Å; M321-L325 PolarHBondContact O-N 3.27Å; L322-L325 WeakPolarHBondContact O-CB 3.33Å; L322-L325 PolarHBondContact O-N 3.4Å; F323-L325 VanDerWaalsContact C-N 3.31Å; F323-L325 PolarHBondContact O-N 3.16Å; L325-L328 PolarHBondContact O-N 3.37Å; L325-T329 WeakPolarHBondContact O-CB 3.34Å; L325-T329 PolarHBondContact O-N 3.45Å; L325-T329 PolarHBondContact O-OG1 2.7Å |
| 326 | I | 94.4 | Very high | 90 | Very high | 97 Ų | 97 | 105.2 Ų | 105.2 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.8 | -48.2 | 176 | -76.4 | 171.8 | 0 | 0 | 0 | 110.7 | L322 F323 I324 L328 T329 F330 | L322-I326 HydrophobicContact CD2-CD1 3.72Å; L322-I326 PolarHBondContact O-N 3.41Å; F323-I326 PolarHBondContact O-N 3.1Å; I324-I326 VanDerWaalsContact C-N 3.35Å; I324-I326 PolarHBondContact O-N 2.83Å; I326-L328 VanDerWaalsContact C-N 3.35Å; I326-L328 PolarHBondContact O-N 3.42Å; I326-T329 PolarHBondContact O-N 2.89Å; I326-F330 WeakPolarHBondContact O-CB 3.5Å; I326-F330 PolarHBondContact O-N 2.66Å |
| 327 | I | 94.4 | Very high | 90.1 | Very high | 78 Ų | 78 | 110.5 Ų | 110.5 | 40% | 0.4 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 178.6 | -70 | 169.7 | 0 | 0 | 0 | 110.5 | F323 I324 T329 F330 S331 | F323-I327 HydrophobicContact CD1-CD1 3.66Å; F323-I327 HydrophobicContact CE1-CD1 3.21Å; F323-I327 HydrophobicContact CE1-CG1 4.38Å; F323-I327 HydrophobicContact CE2-CD1 4.18Å; F323-I327 HydrophobicContact CG-CD1 4.32Å; F323-I327 HydrophobicContact CZ-CD1 3.51Å; F323-I327 HydrophobicContact CZ-CG1 4.38Å; F323-I327 WeakPolarHBondContact O-CG1 3.28Å; F323-I327 PolarHBondContact O-N 3.28Å; I324-I327 PolarHBondContact O-N 2.89Å; I327-T329 VanDerWaalsContact C-N 3.31Å; I327-T329 PolarHBondContact O-N 3.13Å; I327-F330 PolarHBondContact O-N 3.09Å; I327-F330 VanDerWaalsContact O-N 3.15Å; I327-S331 WeakPolarHBondContact O-CB 3.4Å; I327-S331 PolarHBondContact O-N 3.04Å; I327-S331 PolarHBondContact O-OG 3.49Å |
| 328 | L | 94 | Very high | 90.2 | Very high | 101 Ų | 101 | 114.4 Ų | 114.4 | 53% | 0.529 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -60.5 | -42.6 | 178.6 | -178.3 | 66.1 | 0 | 0 | 0 | 111.5 | I324 L325 I326 F330 S331 L332 | I324-L328 WeakPolarHBondContact O-CB 3.33Å; I324-L328 PolarHBondContact O-N 3.05Å; L325-L328 PolarHBondContact O-N 3.37Å; I326-L328 VanDerWaalsContact C-N 3.35Å; I326-L328 PolarHBondContact O-N 3.42Å; L328-F330 VanDerWaalsContact C-N 3.31Å; L328-F330 PolarHBondContact O-N 3.03Å; L328-S331 PolarHBondContact O-N 3.44Å; L328-L332 HydrophobicContact CD1-CD1 4.46Å; L328-L332 HydrophobicContact CG-CD1 4.16Å; L328-L332 WeakPolarHBondContact O-CB 3.26Å; L328-L332 WeakPolarHBondContact O-CG 3.17Å; L328-L332 PolarHBondContact O-N 2.9Å |
| 329 | T | 93.8 | Very high | 89.7 | Confident | 85 Ų | 85 | 117.9 Ų | 117.9 | 52% | 0.521 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.4 | -42.8 | 176 | -54.7 | 0 | 0 | 0 | 0 | 110.7 | L325 I326 I327 L332 H333 | L325-T329 WeakPolarHBondContact O-CB 3.34Å; L325-T329 PolarHBondContact O-N 3.45Å; L325-T329 PolarHBondContact O-OG1 2.7Å; I326-T329 PolarHBondContact O-N 2.89Å; I327-T329 VanDerWaalsContact C-N 3.31Å; I327-T329 PolarHBondContact O-N 3.13Å; T329-L332 PolarHBondContact O-N 3.17Å; T329-H333 WeakPolarHBondContact O-CB 3.42Å; T329-H333 PolarHBondContact O-N 3.29Å |
| 330 | F | 93.8 | Very high | 88.6 | Confident | 120 Ų | 120 | 119.7 Ų | 119.7 | 53% | 0.526 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -70.4 | -39.4 | 179.5 | -152.1 | -119.6 | 0 | 0 | 0 | 112.2 | I326 I327 L328 H333 F334 | I326-F330 WeakPolarHBondContact O-CB 3.5Å; I326-F330 PolarHBondContact O-N 2.66Å; I327-F330 PolarHBondContact O-N 3.09Å; I327-F330 VanDerWaalsContact O-N 3.15Å; L328-F330 VanDerWaalsContact C-N 3.31Å; L328-F330 PolarHBondContact O-N 3.03Å; F330-H333 PolarHBondContact O-N 3.07Å; F330-F334 AromaticContact CD1-CD2 3.7Å; F330-F334 HydrophobicContact CD1-CD2 3.7Å; F330-F334 AromaticContact CD1-CE2 3.23Å; F330-F334 HydrophobicContact CD1-CE2 3.23Å; F330-F334 HydrophobicContact CD1-CZ 4.1Å; F330-F334 AromaticContact CE1-CD2 3.87Å; F330-F334 HydrophobicContact CE1-CD2 3.87Å; F330-F334 AromaticContact CE1-CE2 2.93Å; F330-F334 HydrophobicContact CE1-CE2 2.93Å; F330-F334 AromaticContact CE1-CZ 3.38Å; F330-F334 HydrophobicContact CE1-CZ 3.38Å; F330-F334 HydrophobicContact CE2-CE2 4.44Å; F330-F334 HydrophobicContact CE2-CZ 4.49Å; F330-F334 HydrophobicContact CG-CD2 4.32Å; F330-F334 HydrophobicContact CG-CE2 4.15Å; F330-F334 AromaticContact CZ-CE2 3.6Å; F330-F334 HydrophobicContact CZ-CE2 3.6Å; F330-F334 AromaticContact CZ-CZ 3.58Å; F330-F334 HydrophobicContact CZ-CZ 3.58Å; F330-F334 WeakPolarHBondContact O-CD2 3.44Å; F330-F334 PolarHBondContact O-N 3.3Å |
| 331 | S | 93.2 | Very high | 88.6 | Confident | 67 Ų | 67 | 118.1 Ų | 118.1 | 47% | 0.469 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.2 | -43.7 | 172.6 | -66.3 | 0 | 0 | 0 | 0 | 111.7 | I327 L328 F334 L335 | I327-S331 WeakPolarHBondContact O-CB 3.4Å; I327-S331 PolarHBondContact O-N 3.04Å; I327-S331 PolarHBondContact O-OG 3.49Å; L328-S331 PolarHBondContact O-N 3.44Å; S331-F334 PolarHBondContact O-N 2.61Å; S331-L335 WeakPolarHBondContact O-CB 3.35Å; S331-L335 PolarHBondContact O-N 3.16Å |
| 332 | L | 87.6 | Confident | 88.5 | Confident | 104 Ų | 104 | 117.4 Ų | 117.4 | 55% | 0.545 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.1 | -41.9 | 174.9 | -77.9 | 163.8 | 0 | 0 | 0 | 111.8 | L328 T329 F334 L335 D336 | L328-L332 HydrophobicContact CD1-CD1 4.46Å; L328-L332 HydrophobicContact CG-CD1 4.16Å; L328-L332 WeakPolarHBondContact O-CB 3.26Å; L328-L332 WeakPolarHBondContact O-CG 3.17Å; L328-L332 PolarHBondContact O-N 2.9Å; T329-L332 PolarHBondContact O-N 3.17Å; L332-F334 PolarHBondContact O-N 3.19Å; L332-L335 PolarHBondContact O-N 3.33Å; L332-D336 WeakPolarHBondContact O-CB 3.33Å; L332-D336 PolarHBondContact O-N 2.92Å |
| 333 | H | 88.3 | Confident | 88.4 | Confident | 115 Ų | 115 | 118.4 Ų | 118.4 | 53% | 0.532 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.7 | -43 | 176.6 | -176.5 | 63.9 | 0 | 0 | 0 | 112.1 | T329 F330 W337 | T329-H333 WeakPolarHBondContact O-CB 3.42Å; T329-H333 PolarHBondContact O-N 3.29Å; F330-H333 PolarHBondContact O-N 3.07Å; H333-W337 WeakPolarHBondContact O-CB 3.37Å; H333-W337 PolarHBondContact O-N 3.13Å |
| 334 | F | 89.3 | Confident | 88.1 | Confident | 99 Ų | 99 | 119.9 Ų | 119.9 | 43% | 0.434 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -70.3 | -33.7 | 174.2 | -78.5 | -52.1 | 0 | 0 | 0 | 113.4 | F330 S331 L332 W337 F338 | F330-F334 AromaticContact CD1-CD2 3.7Å; F330-F334 HydrophobicContact CD1-CD2 3.7Å; F330-F334 AromaticContact CD1-CE2 3.23Å; F330-F334 HydrophobicContact CD1-CE2 3.23Å; F330-F334 HydrophobicContact CD1-CZ 4.1Å; F330-F334 AromaticContact CE1-CD2 3.87Å; F330-F334 HydrophobicContact CE1-CD2 3.87Å; F330-F334 AromaticContact CE1-CE2 2.93Å; F330-F334 HydrophobicContact CE1-CE2 2.93Å; F330-F334 AromaticContact CE1-CZ 3.38Å; F330-F334 HydrophobicContact CE1-CZ 3.38Å; F330-F334 HydrophobicContact CE2-CE2 4.44Å; F330-F334 HydrophobicContact CE2-CZ 4.49Å; F330-F334 HydrophobicContact CG-CD2 4.32Å; F330-F334 HydrophobicContact CG-CE2 4.15Å; F330-F334 AromaticContact CZ-CE2 3.6Å; F330-F334 HydrophobicContact CZ-CE2 3.6Å; F330-F334 AromaticContact CZ-CZ 3.58Å; F330-F334 HydrophobicContact CZ-CZ 3.58Å; F330-F334 WeakPolarHBondContact O-CD2 3.44Å; F330-F334 PolarHBondContact O-N 3.3Å; S331-F334 PolarHBondContact O-N 2.61Å; L332-F334 PolarHBondContact O-N 3.19Å; F334-W337 HydrophobicContact CD1-CE3 4.13Å; F334-W337 PolarHBondContact O-N 3.33Å; F334-F338 WeakPolarHBondContact O-CB 3.4Å; F334-F338 PolarHBondContact O-N 3.11Å |
| 335 | L | 87.5 | Confident | 87.7 | Confident | 118 Ų | 118 | 121.8 Ų | 121.8 | 62% | 0.618 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.7 | -44.2 | 176.1 | -161.2 | 81.4 | 0 | 0 | 0 | 110.7 | S331 L332 W337 F338 Y339 | S331-L335 WeakPolarHBondContact O-CB 3.35Å; S331-L335 PolarHBondContact O-N 3.16Å; L332-L335 PolarHBondContact O-N 3.33Å; L335-W337 VanDerWaalsContact C-N 3.35Å; L335-F338 PolarHBondContact O-N 2.87Å; L335-Y339 WeakPolarHBondContact O-CB 3.43Å; L335-Y339 PolarHBondContact O-N 2.68Å |
| 336 | D | 85.6 | Confident | 87.3 | Confident | 122 Ų | 122 | 122.5 Ų | 122.5 | 65% | 0.652 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.7 | -40.7 | 175 | -166.1 | 48.8 | 0 | 0 | 0 | 111.2 | L332 | L332-D336 WeakPolarHBondContact O-CB 3.33Å; L332-D336 PolarHBondContact O-N 2.92Å |
| 337 | W | 84.6 | Confident | 86.8 | Confident | 191 Ų | 191 | 124.3 Ų | 124.3 | 72% | 0.723 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -71.2 | -32.3 | 177.1 | -172.9 | 58.3 | 0 | 0 | 0 | 113.7 | H333 F334 L335 | H333-W337 WeakPolarHBondContact O-CB 3.37Å; H333-W337 PolarHBondContact O-N 3.13Å; F334-W337 HydrophobicContact CD1-CE3 4.13Å; F334-W337 PolarHBondContact O-N 3.33Å; L335-W337 VanDerWaalsContact C-N 3.35Å |
| 338 | F | 84.6 | Confident | 86.2 | Confident | 171 Ų | 171 | 127.8 Ų | 127.8 | 75% | 0.75 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -85.3 | -24.2 | -178.5 | -165.7 | -91.6 | 0 | 0 | 0 | 112.9 | F334 L335 P340 | F334-F338 WeakPolarHBondContact O-CB 3.4Å; F334-F338 PolarHBondContact O-N 3.11Å; L335-F338 PolarHBondContact O-N 2.87Å; F338-P340 VanDerWaalsContact O-CD 3.26Å; F338-P340 WeakPolarHBondContact O-CD 3.49Å |
| 339 | Y | 74.6 | Confident | 85.6 | Confident | 195 Ų | 195 | 130.1 Ų | 130.1 | 77% | 0.765 | 64% | 0.639 | S | S | * | * | trans | -118.6 | 64.3 | -179.9 | -131 | -87.9 | 0 | 0 | 0 | 111.3 | L335 | L335-Y339 WeakPolarHBondContact O-CB 3.43Å; L335-Y339 PolarHBondContact O-N 2.68Å | ||
| 340 | P | 64 | Low | 84.8 | Confident | 174 Ų | 174 | 134.2 Ų | 134.2 | 100% | 1.13 | 65% | 0.649 | S | S | * | * | trans | -68.1 | 0 | -178.7 | 29.8 | -36 | 0 | 0 | 0 | 114.3 | F338 | F338-P340 VanDerWaalsContact O-CD 3.26Å; F338-P340 WeakPolarHBondContact O-CD 3.49Å |
Retrieved 340 of 340 residues in 95.8 ms
(Link to these results)