| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.7 | Very low | 45.1 | Very low | 185 Ų | 185 | 110.6 Ų | 110.6 | 91% | 0.911 | 57% | 0.566 | S | S | * | * | 0 | -52.7 | 0 | -99.3 | -161.5 | 174 | 0 | 0 | 114.7 | F3 T4 L5 | M1-F3 VanDerWaalsContact C-N 3.34Å; M1-F3 PolarHBondContact O-N 3.2Å; M1-T4 VanDerWaalsContact CA-OG1 3.22Å; M1-T4 WeakPolarHBondContact CA-OG1 3.42Å; M1-T4 PolarHBondContact O-N 3.46Å; M1-T4 PolarHBondContact O-OG1 3.1Å; M1-L5 VanDerWaalsContact O-CB 3.29Å; M1-L5 WeakPolarHBondContact O-CB 3.42Å; M1-L5 WeakPolarHBondContact O-CG 3.49Å; M1-L5 PolarHBondContact O-N 3.26Å | |||
| 2 | L | 34.2 | Very low | 46.2 | Very low | 151 Ų | 151 | 117.4 Ų | 117.4 | 79% | 0.791 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.2 | -36.7 | -179.5 | -85.1 | 157.4 | 0 | 0 | 0 | 114.1 | S6 | L2-S6 WeakPolarHBondContact O-CB 3.48Å; L2-S6 PolarHBondContact O-N 2.9Å; L2-S6 PolarHBondContact O-OG 2.89Å |
| 3 | F | 34.4 | Very low | 47 | Very low | 162 Ų | 162 | 117 Ų | 117 | 71% | 0.711 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -74.1 | -33.5 | 174.6 | -80.8 | -79.2 | 0 | 0 | 0 | 113.8 | M1 S6 F7 | M1-F3 VanDerWaalsContact C-N 3.34Å; M1-F3 PolarHBondContact O-N 3.2Å; F3-S6 WeakPolarHBondContact CA-OG 3.2Å; F3-S6 PolarHBondContact O-OG 3.4Å; F3-S6 VanDerWaalsContact O-OG 3.04Å; F3-F7 VanDerWaalsContact O-CB 3.28Å; F3-F7 WeakPolarHBondContact O-CB 3.44Å; F3-F7 PolarHBondContact O-N 3.49Å |
| 4 | T | 42.9 | Very low | 47.6 | Very low | 79 Ų | 79 | 117.1 Ų | 117.1 | 49% | 0.485 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -75.6 | -34.1 | 175.6 | 52.6 | 0 | 0 | 0 | 0 | 110.9 | M1 W8 | M1-T4 VanDerWaalsContact CA-OG1 3.22Å; M1-T4 WeakPolarHBondContact CA-OG1 3.42Å; M1-T4 PolarHBondContact O-N 3.46Å; M1-T4 PolarHBondContact O-OG1 3.1Å; T4-W8 VanDerWaalsContact O-CB 3.28Å; T4-W8 WeakPolarHBondContact O-CB 3.34Å; T4-W8 VanDerWaalsContact O-CD1 3.27Å; T4-W8 PolarHBondContact O-N 3.38Å |
| 5 | L | 46.1 | Very low | 48.3 | Very low | 107 Ų | 107 | 116.3 Ų | 116.3 | 56% | 0.56 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.5 | -41.8 | 170.3 | -84.8 | 163.1 | 0 | 0 | 0 | 111.4 | M1 A9 | M1-L5 VanDerWaalsContact O-CB 3.29Å; M1-L5 WeakPolarHBondContact O-CB 3.42Å; M1-L5 WeakPolarHBondContact O-CG 3.49Å; M1-L5 PolarHBondContact O-N 3.26Å; L5-A9 WeakPolarHBondContact O-CA 3.41Å; L5-A9 WeakPolarHBondContact O-CB 3.28Å; L5-A9 PolarHBondContact O-N 3.34Å |
| 6 | S | 43.9 | Very low | 48.9 | Very low | 58 Ų | 58 | 118.9 Ų | 118.9 | 41% | 0.406 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68.2 | -38.7 | 175.2 | 66 | 0 | 0 | 0 | 0 | 112 | L2 F3 T10 | L2-S6 WeakPolarHBondContact O-CB 3.48Å; L2-S6 PolarHBondContact O-N 2.9Å; L2-S6 PolarHBondContact O-OG 2.89Å; F3-S6 WeakPolarHBondContact CA-OG 3.2Å; F3-S6 PolarHBondContact O-OG 3.4Å; F3-S6 VanDerWaalsContact O-OG 3.04Å; S6-T10 VanDerWaalsContact O-CB 3.3Å; S6-T10 WeakPolarHBondContact O-CB 3.36Å; S6-T10 VanDerWaalsContact O-CG2 3.27Å; S6-T10 WeakPolarHBondContact O-CG2 3.33Å; S6-T10 PolarHBondContact O-N 3.37Å; S6-T10 PolarHBondContact O-OG1 3.18Å |
| 7 | F | 47.7 | Very low | 49.1 | Very low | 119 Ų | 119 | 116.9 Ų | 116.9 | 52% | 0.522 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.4 | -50.1 | 171.4 | 177.5 | -99.1 | 0 | 0 | 0 | 112.4 | F3 T10 L11 | F3-F7 VanDerWaalsContact O-CB 3.28Å; F3-F7 WeakPolarHBondContact O-CB 3.44Å; F3-F7 PolarHBondContact O-N 3.49Å; F7-T10 WeakPolarHBondContact CA-OG1 3.07Å; F7-T10 PolarHBondContact O-N 3.12Å; F7-T10 PolarHBondContact O-OG1 3.06Å; F7-L11 HydrophobicContact CE1-CD2 4.21Å; F7-L11 WeakPolarHBondContact O-CB 3.32Å; F7-L11 PolarHBondContact O-N 3.34Å |
| 8 | W | 52.6 | Low | 49.3 | Very low | 165 Ų | 165 | 117.3 Ų | 117.3 | 63% | 0.625 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.4 | -33.8 | 177.9 | -87.4 | 99.3 | 0 | 0 | 0 | 112.7 | T4 L11 R12 | T4-W8 VanDerWaalsContact O-CB 3.28Å; T4-W8 WeakPolarHBondContact O-CB 3.34Å; T4-W8 VanDerWaalsContact O-CD1 3.27Å; T4-W8 PolarHBondContact O-N 3.38Å; W8-L11 HydrophobicContact CE3-CD2 4.22Å; W8-L11 HydrophobicContact CZ3-CD2 4.26Å; W8-R12 WeakPolarHBondContact O-CA 3.36Å; W8-R12 WeakPolarHBondContact O-CB 3.47Å; W8-R12 PolarHBondContact O-N 3.13Å |
| 9 | A | 50.2 | Low | 49.5 | Very low | 48 Ų | 48 | 118.6 Ų | 118.6 | 40% | 0.397 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68 | -45.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | L5 R12 L13 | L5-A9 WeakPolarHBondContact O-CA 3.41Å; L5-A9 WeakPolarHBondContact O-CB 3.28Å; L5-A9 PolarHBondContact O-N 3.34Å; A9-R12 PolarHBondContact O-N 2.89Å; A9-L13 VanDerWaalsContact O-CB 3.29Å; A9-L13 WeakPolarHBondContact O-CB 3.28Å; A9-L13 WeakPolarHBondContact O-CD1 3.38Å; A9-L13 PolarHBondContact O-N 3Å |
| 10 | T | 54.2 | Low | 49.3 | Very low | 83 Ų | 83 | 120.4 Ų | 120.4 | 51% | 0.509 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.9 | -42 | 174.7 | 48.8 | 0 | 0 | 0 | 0 | 111.8 | S6 F7 L13 L14 | S6-T10 VanDerWaalsContact O-CB 3.3Å; S6-T10 WeakPolarHBondContact O-CB 3.36Å; S6-T10 VanDerWaalsContact O-CG2 3.27Å; S6-T10 WeakPolarHBondContact O-CG2 3.33Å; S6-T10 PolarHBondContact O-N 3.37Å; S6-T10 PolarHBondContact O-OG1 3.18Å; F7-T10 WeakPolarHBondContact CA-OG1 3.07Å; F7-T10 PolarHBondContact O-N 3.12Å; F7-T10 PolarHBondContact O-OG1 3.06Å; T10-L13 PolarHBondContact O-N 3.1Å; T10-L14 WeakPolarHBondContact O-CB 3.24Å; T10-L14 PolarHBondContact O-N 3.49Å |
| 11 | L | 55.8 | Low | 49.3 | Very low | 60 Ų | 60 | 118.1 Ų | 118.1 | 31% | 0.314 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.8 | -41.1 | 175.7 | -172.1 | 73.4 | 0 | 0 | 0 | 111.6 | F7 W8 L14 L15 | F7-L11 HydrophobicContact CE1-CD2 4.21Å; F7-L11 WeakPolarHBondContact O-CB 3.32Å; F7-L11 PolarHBondContact O-N 3.34Å; W8-L11 HydrophobicContact CE3-CD2 4.22Å; W8-L11 HydrophobicContact CZ3-CD2 4.26Å; L11-L14 PolarHBondContact O-N 2.88Å; L11-L15 HydrophobicContact CG-CD1 4.16Å; L11-L15 WeakPolarHBondContact O-CB 3.12Å; L11-L15 VanDerWaalsContact O-CG 3.28Å; L11-L15 WeakPolarHBondContact O-CG 3.31Å; L11-L15 PolarHBondContact O-N 2.91Å |
| 12 | R | 59 | Low | 49.9 | Very low | 192 Ų | 192 | 112.1 Ų | 112.1 | 73% | 0.725 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -68.8 | -39.8 | 177.5 | -167.6 | 178.4 | -168.8 | -177.4 | 3.5 | 111.3 | W8 A9 L14 L15 Y16 | W8-R12 WeakPolarHBondContact O-CA 3.36Å; W8-R12 WeakPolarHBondContact O-CB 3.47Å; W8-R12 PolarHBondContact O-N 3.13Å; A9-R12 PolarHBondContact O-N 2.89Å; R12-L14 VanDerWaalsContact C-N 3.35Å; R12-L15 PolarHBondContact O-N 3.27Å; R12-Y16 WeakPolarHBondContact O-CB 3.25Å; R12-Y16 PolarHBondContact O-N 2.93Å |
| 13 | L | 56.9 | Low | 50.6 | Low | 112 Ų | 112 | 112 Ų | 112 | 59% | 0.586 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.2 | -43.1 | 170.2 | -94 | 146.2 | 0 | 0 | 0 | 111.2 | A9 T10 Y16 D17 | A9-L13 VanDerWaalsContact O-CB 3.29Å; A9-L13 WeakPolarHBondContact O-CB 3.28Å; A9-L13 WeakPolarHBondContact O-CD1 3.38Å; A9-L13 PolarHBondContact O-N 3Å; T10-L13 PolarHBondContact O-N 3.1Å; L13-Y16 PolarHBondContact O-N 3.2Å; L13-D17 WeakPolarHBondContact O-CB 3.43Å; L13-D17 PolarHBondContact O-N 3.38Å |
| 14 | L | 54.1 | Low | 51.3 | Low | 119 Ų | 119 | 111.3 Ų | 111.3 | 62% | 0.623 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.9 | -38.7 | 177.7 | -125.9 | 149.7 | 0 | 0 | 0 | 112.6 | T10 L11 R12 K18 | T10-L14 WeakPolarHBondContact O-CB 3.24Å; T10-L14 PolarHBondContact O-N 3.49Å; L11-L14 PolarHBondContact O-N 2.88Å; R12-L14 VanDerWaalsContact C-N 3.35Å; L14-K18 WeakPolarHBondContact O-CB 3.35Å; L14-K18 PolarHBondContact O-N 3.08Å |
| 15 | L | 58.2 | Low | 51.3 | Low | 104 Ų | 104 | 115.2 Ų | 115.2 | 55% | 0.545 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -69.8 | -35.4 | 174.5 | -74.2 | 169.3 | 0 | 0 | 0 | 111.7 | L11 R12 K18 K19 | L11-L15 HydrophobicContact CG-CD1 4.16Å; L11-L15 WeakPolarHBondContact O-CB 3.12Å; L11-L15 VanDerWaalsContact O-CG 3.28Å; L11-L15 WeakPolarHBondContact O-CG 3.31Å; L11-L15 PolarHBondContact O-N 2.91Å; R12-L15 PolarHBondContact O-N 3.27Å; L15-K18 PolarHBondContact O-N 3.08Å; L15-K19 PolarHBondContact O-N 2.69Å |
| 16 | Y | 58 | Low | 50.8 | Low | 159 Ų | 159 | 113.2 Ų | 113.2 | 62% | 0.624 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.2 | -43 | 175.4 | -159.4 | -90.7 | 0 | 0 | 0 | 111.5 | R12 L13 K18 K19 R20 | R12-Y16 WeakPolarHBondContact O-CB 3.25Å; R12-Y16 PolarHBondContact O-N 2.93Å; L13-Y16 PolarHBondContact O-N 3.2Å; Y16-K18 VanDerWaalsContact C-N 3.3Å; Y16-K18 PolarHBondContact O-N 3.27Å; Y16-K19 PolarHBondContact O-N 2.84Å; Y16-R20 PolarHBondContact O-N 3.35Å |
| 17 | D | 52 | Low | 50.5 | Low | 84 Ų | 84 | 120.2 Ų | 120.2 | 45% | 0.449 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -59 | -41.3 | 172.9 | -95.1 | -8.6 | 0 | 0 | 0 | 111.4 | L13 K19 R20 S21 | L13-D17 WeakPolarHBondContact O-CB 3.43Å; L13-D17 PolarHBondContact O-N 3.38Å; D17-K19 VanDerWaalsContact C-N 3.34Å; D17-K19 PolarHBondContact O-N 3.42Å; D17-R20 PolarHBondContact O-N 2.9Å; D17-S21 WeakPolarHBondContact O-CB 3.36Å; D17-S21 PolarHBondContact O-N 2.77Å; D17-S21 PolarHBondContact O-OG 3.16Å |
| 18 | K | 53.1 | Low | 50 | Low | 124 Ų | 124 | 118.1 Ų | 118.1 | 54% | 0.539 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -70.5 | -29.1 | 178.9 | -159.6 | -179.6 | 179.5 | -172.5 | 0 | 113 | L14 L15 Y16 S21 G22 | L14-K18 WeakPolarHBondContact O-CB 3.35Å; L14-K18 PolarHBondContact O-N 3.08Å; L15-K18 PolarHBondContact O-N 3.08Å; Y16-K18 VanDerWaalsContact C-N 3.3Å; Y16-K18 PolarHBondContact O-N 3.27Å; K18-S21 WeakPolarHBondContact CA-OG 3.16Å; K18-G22 PolarHBondContact O-N 2.9Å |
| 19 | K | 53.5 | Low | 49.1 | Very low | 143 Ų | 143 | 116.3 Ų | 116.3 | 62% | 0.622 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -74.5 | -41 | 176.6 | -154.7 | 178.6 | -176.3 | -171.8 | 0 | 111.1 | L15 Y16 D17 G22 E23 | L15-K19 PolarHBondContact O-N 2.69Å; Y16-K19 PolarHBondContact O-N 2.84Å; D17-K19 VanDerWaalsContact C-N 3.34Å; D17-K19 PolarHBondContact O-N 3.42Å; K19-G22 PolarHBondContact O-N 3.24Å; K19-E23 PolarHBondContact O-N 3.18Å |
| 20 | R | 45.3 | Very low | 48.4 | Very low | 154 Ų | 154 | 119.6 Ų | 119.6 | 58% | 0.581 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -70.8 | -37.1 | 178.1 | -159.1 | 176.2 | -174 | 157.3 | 5.8 | 113 | Y16 D17 G22 E23 | Y16-R20 PolarHBondContact O-N 3.35Å; D17-R20 PolarHBondContact O-N 2.9Å; R20-G22 VanDerWaalsContact C-N 3.28Å; R20-G22 PolarHBondContact O-N 3.43Å; R20-E23 PolarHBondContact O-N 3.45Å |
| 21 | S | 49.6 | Very low | 47.6 | Very low | 73 Ų | 73 | 120.7 Ų | 120.7 | 51% | 0.51 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -75.4 | -13.2 | 174.1 | 47 | 0 | 0 | 0 | 0 | 114.1 | D17 K18 | D17-S21 WeakPolarHBondContact O-CB 3.36Å; D17-S21 PolarHBondContact O-N 2.77Å; D17-S21 PolarHBondContact O-OG 3.16Å; K18-S21 WeakPolarHBondContact CA-OG 3.16Å |
| 22 | G | 45.9 | Very low | 46.6 | Very low | 58 Ų | 58 | 121.6 Ų | 121.6 | 60% | 0.598 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -87.9 | -22.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | K18 K19 R20 | K18-G22 PolarHBondContact O-N 2.9Å; K19-G22 PolarHBondContact O-N 3.24Å; R20-G22 VanDerWaalsContact C-N 3.28Å; R20-G22 PolarHBondContact O-N 3.43Å |
| 23 | E | 49 | Very low | 45.6 | Very low | 149 Ų | 149 | 124.2 Ų | 124.2 | 70% | 0.696 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -90.8 | -15 | -179.3 | -81.1 | 171.3 | 171.1 | 0 | 0 | 113.4 | K19 R20 | K19-E23 PolarHBondContact O-N 3.18Å; R20-E23 PolarHBondContact O-N 3.45Å |
| 24 | E | 48.7 | Very low | 44.5 | Very low | 148 Ų | 148 | 122 Ų | 122 | 69% | 0.692 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -94.3 | 5.3 | -177.9 | -72.8 | 178.7 | 178.2 | 0 | 0 | 114.5 | ||
| 25 | L | 44.2 | Very low | 43.7 | Very low | 160 Ų | 160 | 122.9 Ų | 122.9 | 84% | 0.838 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -112.4 | 22.6 | -174 | -123.2 | 116 | 0 | 0 | 0 | 115.6 | ||
| 26 | G | 34.6 | Very low | 42.3 | Very low | 66 Ų | 66 | 128.1 Ų | 128.1 | 68% | 0.68 | 73% | 0.73 | S | S | * | * | trans | -125.4 | 81.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 27 | E | 37.7 | Very low | 41.4 | Very low | 204 Ų | 204 | 125.3 Ų | 125.3 | 95% | 0.953 | 74% | 0.739 | S | S | * | * | trans | -171.8 | 118.5 | 155 | -109.3 | 172.1 | -163.3 | 0 | 0 | 110.2 | ||||
| 28 | G | 37.4 | Very low | 40.7 | Very low | 76 Ų | 76 | 129.7 Ų | 129.7 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | trans | 140.6 | 102.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 29 | P | 34.4 | Very low | 40 | Very low | 126 Ų | 126 | 128.1 Ų | 128.1 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -102.3 | 147.1 | -174.4 | 36.7 | -29.4 | 0 | 0 | 0 | 114.6 | ||||
| 30 | S | 35.9 | Very low | 39.5 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | 148.3 | 110.6 | 140.5 | 73.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 31 | A | 36.4 | Very low | 39.5 | Very low | 107 Ų | 107 | 125 Ų | 125 | 88% | 0.884 | 76% | 0.761 | S | S | * | * | 102.6 | 111.7 | 94.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 32 | G | 35.9 | Very low | 39.5 | Very low | 78 Ų | 78 | 124.2 Ų | 124.2 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | 154.2 | 96.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 33 | Y | 36.9 | Very low | 39.7 | Very low | 248 Ų | 248 | 128.6 Ų | 128.6 | 97% | 0.973 | 76% | 0.758 | S | S | * | * | trans | -59.4 | 146.3 | 178.7 | -88.8 | -107.7 | 0 | 0 | 0 | 114.5 | ||||
| 34 | G | 35 | Very low | 40 | Very low | 66 Ų | 66 | 128.1 Ų | 128.1 | 68% | 0.68 | 76% | 0.756 | S | S | * | * | trans | 158 | 84.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 35 | T | 35.8 | Very low | 40.2 | Very low | 136 Ų | 136 | 126.3 Ų | 126.3 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | trans | 44.9 | 109 | 141.9 | 40.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 36 | F | 29.9 | Very low | 41 | Very low | 215 Ų | 215 | 124.3 Ų | 124.3 | 94% | 0.943 | 73% | 0.732 | S | S | * | * | trans | 46.7 | 94.3 | 143.4 | -87.9 | -94 | 0 | 0 | 0 | 119.8 | ||||
| 37 | A | 37.8 | Very low | 42.5 | Very low | 100 Ų | 100 | 125.7 Ų | 125.7 | 83% | 0.826 | 72% | 0.723 | S | S | * | * | trans | -141.3 | 117.8 | 153 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 38 | Q | 37.9 | Very low | 43.9 | Very low | 176 Ų | 176 | 120.5 Ų | 120.5 | 82% | 0.822 | 70% | 0.701 | S | S | * | * | trans | -58.3 | 147.2 | 175.7 | -82.3 | 177 | -28.7 | 0 | 0 | 111.6 | E40 | Q38-E40 PolarHBondContact O-N 3.24Š| ||
| 39 | P | 38 | Very low | 45.4 | Very low | 91 Ų | 91 | 121.4 Ų | 121.4 | 59% | 0.591 | 69% | 0.688 | S | S | * | * | trans | -74.4 | 110.6 | -163.6 | 29.3 | -33.6 | 0 | 0 | 0 | 112.4 | S41 S42 | P39-S41 PolarHBondContact O-N 3.03Å; P39-S41 VanDerWaalsContact O-N 3.1Å; P39-S42 WeakPolarHBondContact O-CB 3.33Å; P39-S42 PolarHBondContact O-N 2.77Å | ||
| 40 | E | 44.1 | Very low | 47.2 | Very low | 164 Ų | 164 | 120.8 Ų | 120.8 | 77% | 0.766 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -56.6 | -23.8 | 176 | -71.2 | -166.4 | 141.9 | 0 | 0 | 113.7 | Q38 S42 K43 E44 | Q38-E40 PolarHBondContact O-N 3.24Å; E40-S42 PolarHBondContact O-N 2.9Å; E40-S42 VanDerWaalsContact O-N 3.13Å; E40-K43 PolarHBondContact O-N 3.19Å; E40-K43 VanDerWaalsContact O-N 3.08Å; E40-E44 PolarHBondContact O-N 3.43Å |
| 41 | S | 44.4 | Very low | 48.9 | Very low | 67 Ų | 67 | 120.4 Ų | 120.4 | 47% | 0.469 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -63.4 | -19.8 | 175.7 | 93.4 | 0 | 0 | 0 | 0 | 113.9 | P39 K45 | P39-S41 PolarHBondContact O-N 3.03Å; P39-S41 VanDerWaalsContact O-N 3.1Å; S41-K45 WeakPolarHBondContact O-CD 3.28Å; S41-K45 VanDerWaalsContact O-CG 3.29Å; S41-K45 WeakPolarHBondContact O-CG 3.28Å; S41-K45 PolarHBondContact O-N 3.47Å |
| 42 | S | 50 | Low | 50.8 | Low | 56 Ų | 56 | 119.4 Ų | 119.4 | 39% | 0.392 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -72.5 | -41.3 | 173.8 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | P39 E40 K45 H46 | P39-S42 WeakPolarHBondContact O-CB 3.33Å; P39-S42 PolarHBondContact O-N 2.77Å; E40-S42 PolarHBondContact O-N 2.9Å; E40-S42 VanDerWaalsContact O-N 3.13Å; S42-K45 PolarHBondContact O-N 3.42Å; S42-H46 WeakPolarHBondContact O-CB 3.49Å; S42-H46 PolarHBondContact O-N 2.87Å |
| 43 | K | 49.9 | Very low | 52.8 | Low | 151 Ų | 151 | 118.7 Ų | 118.7 | 66% | 0.657 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.7 | -38.9 | -177.6 | -75.9 | -177.6 | 178.2 | 174 | 0 | 112.1 | E40 H46 N47 | E40-K43 PolarHBondContact O-N 3.19Å; E40-K43 VanDerWaalsContact O-N 3.08Å; K43-H46 PolarHBondContact O-N 3.48Å; K43-N47 PolarHBondContact O-N 3.12Å |
| 44 | E | 55.1 | Low | 54.9 | Low | 139 Ų | 139 | 107.2 Ų | 107.2 | 65% | 0.65 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -70.4 | -40.1 | 178.7 | -153.4 | 176.8 | -163 | 0 | 0 | 111.8 | E40 H46 N47 I48 | E40-E44 PolarHBondContact O-N 3.43Å; E44-H46 PolarHBondContact O-N 3.26Å; E44-N47 PolarHBondContact O-N 2.95Å; E44-I48 WeakPolarHBondContact O-CG1 3.41Å; E44-I48 PolarHBondContact O-N 2.85Å |
| 45 | K | 53.6 | Low | 57 | Low | 109 Ų | 109 | 108.9 Ų | 108.9 | 47% | 0.474 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.8 | -41.3 | 171 | -73.8 | 171 | -174.6 | 151.4 | 0 | 111.9 | S41 S42 I48 L49 | S41-K45 WeakPolarHBondContact O-CD 3.28Å; S41-K45 VanDerWaalsContact O-CG 3.29Å; S41-K45 WeakPolarHBondContact O-CG 3.28Å; S41-K45 PolarHBondContact O-N 3.47Å; S42-K45 PolarHBondContact O-N 3.42Å; K45-I48 PolarHBondContact O-N 3.42Å; K45-L49 WeakPolarHBondContact O-CB 3.5Å; K45-L49 PolarHBondContact O-N 3.48Å |
| 46 | H | 59.6 | Low | 59.4 | Low | 119 Ų | 119 | 107.8 Ų | 107.8 | 55% | 0.551 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.6 | -45.3 | 176 | -106.1 | -66.6 | 0 | 0 | 0 | 112.2 | S42 K43 E44 I48 L49 E50 | S42-H46 WeakPolarHBondContact O-CB 3.49Å; S42-H46 PolarHBondContact O-N 2.87Å; K43-H46 PolarHBondContact O-N 3.48Å; E44-H46 PolarHBondContact O-N 3.26Å; H46-I48 PolarHBondContact O-N 3.29Å; H46-L49 PolarHBondContact O-N 2.93Å; H46-E50 WeakPolarHBondContact O-CB 3.36Å; H46-E50 PolarHBondContact O-N 3.35Å |
| 47 | N | 67.1 | Low | 62.1 | Low | 94 Ų | 94 | 100 Ų | 100 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 177.6 | -87.9 | -14 | 0 | 0 | 0 | 112.4 | K43 E44 Q51 | K43-N47 PolarHBondContact O-N 3.12Å; E44-N47 PolarHBondContact O-N 2.95Å; N47-Q51 WeakPolarHBondContact O-CB 3.47Å; N47-Q51 VanDerWaalsContact O-CG 3.27Å; N47-Q51 WeakPolarHBondContact O-CG 3.19Å; N47-Q51 PolarHBondContact O-N 3.15Å |
| 48 | I | 66.4 | Low | 64.4 | Low | 96 Ų | 96 | 95.8 Ų | 95.8 | 49% | 0.492 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.5 | -43.7 | 176.6 | -68 | 167.8 | 0 | 0 | 0 | 110.7 | E44 K45 H46 Q51 L52 | E44-I48 WeakPolarHBondContact O-CG1 3.41Å; E44-I48 PolarHBondContact O-N 2.85Å; K45-I48 PolarHBondContact O-N 3.42Å; H46-I48 PolarHBondContact O-N 3.29Å; I48-Q51 PolarHBondContact O-N 2.97Å; I48-L52 HydrophobicContact CG2-CD1 3.94Å; I48-L52 WeakPolarHBondContact O-CB 3.43Å; I48-L52 PolarHBondContact O-N 3.03Å |
| 49 | L | 70.4 | Confident | 66.7 | Low | 95 Ų | 95 | 93 Ų | 93 | 50% | 0.497 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 177.7 | -172.2 | 72.1 | 0 | 0 | 0 | 111.3 | K45 H46 L52 L53 | K45-L49 WeakPolarHBondContact O-CB 3.5Å; K45-L49 PolarHBondContact O-N 3.48Å; H46-L49 PolarHBondContact O-N 2.93Å; L49-L52 PolarHBondContact O-N 3.34Å; L49-L53 HydrophobicContact CD1-CD1 4.37Å; L49-L53 HydrophobicContact CD2-CD1 4.32Å; L49-L53 HydrophobicContact CG-CD1 3.85Å; L49-L53 HydrophobicContact CG-CG 4.43Å; L49-L53 WeakPolarHBondContact O-CB 3.45Å; L49-L53 WeakPolarHBondContact O-CG 3.47Å; L49-L53 PolarHBondContact O-N 3.25Å |
| 50 | E | 72 | Confident | 69.1 | Low | 112 Ų | 112 | 91.4 Ų | 91.4 | 52% | 0.523 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 176.4 | -169.3 | -176.7 | 159.9 | 0 | 0 | 111.7 | H46 S54 | H46-E50 WeakPolarHBondContact O-CB 3.36Å; H46-E50 PolarHBondContact O-N 3.35Å; E50-S54 VanDerWaalsContact O-CB 3.25Å; E50-S54 WeakPolarHBondContact O-CB 3.48Å; E50-S54 PolarHBondContact O-N 3.32Å; E50-S54 PolarHBondContact O-OG 2.9Å |
| 51 | Q | 71.6 | Confident | 71.2 | Confident | 110 Ų | 110 | 83.6 Ų | 83.6 | 51% | 0.514 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66 | -35.2 | 174.2 | -74.8 | -179.3 | 23.7 | 0 | 0 | 112.8 | N47 I48 S54 K55 | N47-Q51 WeakPolarHBondContact O-CB 3.47Å; N47-Q51 VanDerWaalsContact O-CG 3.27Å; N47-Q51 WeakPolarHBondContact O-CG 3.19Å; N47-Q51 PolarHBondContact O-N 3.15Å; I48-Q51 PolarHBondContact O-N 2.97Å; Q51-S54 WeakPolarHBondContact CA-OG 3.34Å; Q51-S54 PolarHBondContact O-OG 3.44Å; Q51-K55 VanDerWaalsContact O-CB 3.27Å; Q51-K55 WeakPolarHBondContact O-CB 3.48Å; Q51-K55 PolarHBondContact O-N 2.87Å |
| 52 | L | 74.7 | Confident | 73.1 | Confident | 85 Ų | 85 | 81.8 Ų | 81.8 | 45% | 0.445 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.7 | -50 | 175 | -97.3 | 155.9 | 0 | 0 | 0 | 111.5 | I48 L49 K55 Y56 | I48-L52 HydrophobicContact CG2-CD1 3.94Å; I48-L52 WeakPolarHBondContact O-CB 3.43Å; I48-L52 PolarHBondContact O-N 3.03Å; L49-L52 PolarHBondContact O-N 3.34Å; L52-K55 PolarHBondContact O-N 3.47Å; L52-Y56 HydrophobicContact CD2-CD2 3.96Å; L52-Y56 HydrophobicContact CD2-CE2 3.73Å; L52-Y56 VanDerWaalsContact O-CD2 3.29Å; L52-Y56 WeakPolarHBondContact O-CD2 3.36Å; L52-Y56 PolarHBondContact O-N 3.05Å; L52-Y56 VanDerWaalsContact O-N 3.15Å |
| 53 | L | 78.6 | Confident | 74.9 | Confident | 64 Ų | 64 | 83.8 Ų | 83.8 | 34% | 0.335 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.4 | -48.2 | 179.9 | -75 | 167.3 | 0 | 0 | 0 | 110.7 | L49 K55 Y56 W57 F178 | L49-L53 HydrophobicContact CD1-CD1 4.37Å; L49-L53 HydrophobicContact CD2-CD1 4.32Å; L49-L53 HydrophobicContact CG-CD1 3.85Å; L49-L53 HydrophobicContact CG-CG 4.43Å; L49-L53 WeakPolarHBondContact O-CB 3.45Å; L49-L53 WeakPolarHBondContact O-CG 3.47Å; L49-L53 PolarHBondContact O-N 3.25Å; L53-K55 PolarHBondContact O-N 3.02Å; L53-Y56 PolarHBondContact O-N 2.88Å; L53-Y56 VanDerWaalsContact O-N 3.17Å; L53-W57 HydrophobicContact CD2-CE3 4.2Å; L53-W57 HydrophobicContact CD2-CZ3 4.38Å; L53-W57 VanDerWaalsContact O-CB 3.25Å; L53-W57 WeakPolarHBondContact O-CB 3.31Å; L53-W57 PolarHBondContact O-N 3.48Å; L53-F178 HydrophobicContact CB-CD1 4.27Å; L53-F178 HydrophobicContact CB-CE1 3.66Å; L53-F178 HydrophobicContact CB-CZ 4.11Å; L53-F178 HydrophobicContact CD1-CE1 4.46Å; L53-F178 HydrophobicContact CD1-CZ 4.48Å |
| 54 | S | 80.5 | Confident | 76.7 | Confident | 6 Ų | 6 | 78.2 Ų | 78.2 | 4% | 0.042 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.9 | -29.5 | 177 | 56.4 | 0 | 0 | 0 | 0 | 113.5 | E50 Q51 I185 | E50-S54 VanDerWaalsContact O-CB 3.25Å; E50-S54 WeakPolarHBondContact O-CB 3.48Å; E50-S54 PolarHBondContact O-N 3.32Å; E50-S54 PolarHBondContact O-OG 2.9Å; Q51-S54 WeakPolarHBondContact CA-OG 3.34Å; Q51-S54 PolarHBondContact O-OG 3.44Å; S54-I185 WeakPolarHBondContact OG-CD1 3.27Å |
| 55 | K | 80.4 | Confident | 78.3 | Confident | 102 Ų | 102 | 71.6 Ų | 71.6 | 44% | 0.443 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -76.1 | -34.8 | 177.3 | -174.6 | 179.1 | 178.1 | -166.9 | 0 | 113.7 | Q51 L52 L53 I185 | Q51-K55 VanDerWaalsContact O-CB 3.27Å; Q51-K55 WeakPolarHBondContact O-CB 3.48Å; Q51-K55 PolarHBondContact O-N 2.87Å; L52-K55 PolarHBondContact O-N 3.47Å; L53-K55 PolarHBondContact O-N 3.02Å; K55-I185 HydrophobicContact CB-CD1 4.44Å |
| 56 | Y | 84.7 | Confident | 79.9 | Confident | 113 Ų | 113 | 67.9 Ų | 67.9 | 44% | 0.443 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -110 | -13.6 | -170.9 | -67.9 | -73 | 0 | 0 | 0 | 114.7 | L52 L53 I58 Y59 | L52-Y56 HydrophobicContact CD2-CD2 3.96Å; L52-Y56 HydrophobicContact CD2-CE2 3.73Å; L52-Y56 VanDerWaalsContact O-CD2 3.29Å; L52-Y56 WeakPolarHBondContact O-CD2 3.36Å; L52-Y56 PolarHBondContact O-N 3.05Å; L52-Y56 VanDerWaalsContact O-N 3.15Å; L53-Y56 PolarHBondContact O-N 2.88Å; L53-Y56 VanDerWaalsContact O-N 3.17Å; Y56-I58 VanDerWaalsContact C-N 3.28Å; Y56-I58 PolarHBondContact O-N 2.81Å; Y56-Y59 AromaticContact CD1-CD2 3.88Å; Y56-Y59 HydrophobicContact CD1-CD2 3.88Å; Y56-Y59 AromaticContact CD1-CE2 3.84Å; Y56-Y59 HydrophobicContact CD1-CE2 3.84Å; Y56-Y59 HydrophobicContact CE1-CE2 4.4Å; Y56-Y59 WeakPolarHBondContact O-CB 3.21Å; Y56-Y59 PolarHBondContact O-N 3.31Å; Y56-Y59 VanDerWaalsContact O-N 3.11Å |
| 57 | W | 88.2 | Confident | 81.2 | Confident | 52 Ų | 52 | 66.4 Ų | 66.4 | 20% | 0.197 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.9 | -31.9 | -175.6 | -162.7 | -97.6 | 0 | 0 | 0 | 113.9 | L53 Y59 V60 V61 L173 F178 | L53-W57 HydrophobicContact CD2-CE3 4.2Å; L53-W57 HydrophobicContact CD2-CZ3 4.38Å; L53-W57 VanDerWaalsContact O-CB 3.25Å; L53-W57 WeakPolarHBondContact O-CB 3.31Å; L53-W57 PolarHBondContact O-N 3.48Å; W57-Y59 PolarHBondContact O-N 2.96Å; W57-V60 HydrophobicContact CE3-CG2 4.41Å; W57-V60 WeakPolarHBondContact O-CA 3.46Å; W57-V60 VanDerWaalsContact O-CB 3.29Å; W57-V60 WeakPolarHBondContact O-CB 3.2Å; W57-V60 PolarHBondContact O-N 3.05Å; W57-V61 WeakPolarHBondContact O-CG2 3.33Å; W57-V61 PolarHBondContact O-N 3.42Å; W57-L173 HydrophobicContact CZ2-CB 4.36Å; W57-L173 HydrophobicContact CZ2-CD1 4.02Å; W57-F178 HydrophobicContact CB-CB 4.21Å; W57-F178 HydrophobicContact CB-CD2 3.78Å; W57-F178 HydrophobicContact CB-CE2 4.35Å; W57-F178 HydrophobicContact CB-CG 4.02Å; W57-F178 AromaticContact CD1-CD2 3.38Å; W57-F178 AromaticContact CD1-CE2 3.97Å; W57-F178 AromaticContact CD2-CD2 3.65Å; W57-F178 HydrophobicContact CD2-CD2 3.65Å; W57-F178 AromaticContact CD2-CE2 3.47Å; W57-F178 HydrophobicContact CD2-CE2 3.47Å; W57-F178 VanDerWaalsContact CD2-CE2 3.47Å; W57-F178 HydrophobicContact CD2-CZ 4.39Å; W57-F178 AromaticContact CE2-CD2 3.9Å; W57-F178 AromaticContact CE2-CE2 3.65Å; W57-F178 HydrophobicContact CE3-CD2 4.46Å; W57-F178 AromaticContact CE3-CE2 3.93Å; W57-F178 HydrophobicContact CE3-CE2 3.93Å; W57-F178 HydrophobicContact CE3-CZ 4.46Å; W57-F178 HydrophobicContact CG-CB 4.47Å; W57-F178 AromaticContact CG-CD2 3.29Å; W57-F178 HydrophobicContact CG-CD2 3.29Å; W57-F178 AromaticContact CG-CE2 3.68Å; W57-F178 HydrophobicContact CG-CE2 3.68Å; W57-F178 HydrophobicContact CG-CG 4.04Å; W57-F178 HydrophobicContact CZ2-CE2 4.22Å; W57-F178 HydrophobicContact CZ3-CE2 4.47Å; W57-F178 AromaticContact NE1-CD2 3.69Å; W57-F178 AromaticContact NE1-CE2 3.9Å |
| 58 | I | 85.9 | Confident | 82.2 | Confident | 11 Ų | 11 | 62.3 Ų | 62.3 | 6% | 0.056 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.9 | -32.3 | 176.8 | -166.8 | 162.9 | 0 | 0 | 0 | 113 | Y56 V61 S62 W99 L103 W107 F182 | Y56-I58 VanDerWaalsContact C-N 3.28Å; Y56-I58 PolarHBondContact O-N 2.81Å; I58-V61 PolarHBondContact O-N 2.97Å; I58-S62 WeakPolarHBondContact O-CB 3.38Å; I58-S62 PolarHBondContact O-N 3.02Å; I58-W99 HydrophobicContact CD1-CH2 3.52Å; I58-W99 HydrophobicContact CD1-CZ2 3.85Å; I58-L103 HydrophobicContact CD1-CD1 4.38Å; I58-L103 HydrophobicContact CD1-CD2 3.95Å; I58-W107 HydrophobicContact CG1-CZ2 4.34Å; I58-F182 HydrophobicContact CD1-CD1 4.42Å; I58-F182 HydrophobicContact CD1-CE1 3.85Å; I58-F182 HydrophobicContact CD1-CE2 4.37Å; I58-F182 HydrophobicContact CD1-CZ 3.82Å; I58-F182 HydrophobicContact CG2-CD2 4.31Å; I58-F182 HydrophobicContact CG2-CE2 3.81Å; I58-F182 HydrophobicContact CG2-CZ 4.24Å |
| 59 | Y | 86.6 | Confident | 83.1 | Confident | 117 Ų | 117 | 57.7 Ų | 57.7 | 46% | 0.459 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -69.7 | -35.6 | 174.5 | -59.9 | -61.8 | 0 | 0 | 0 | 111.6 | Y56 W57 S62 L63 I356 | Y56-Y59 AromaticContact CD1-CD2 3.88Å; Y56-Y59 HydrophobicContact CD1-CD2 3.88Å; Y56-Y59 AromaticContact CD1-CE2 3.84Å; Y56-Y59 HydrophobicContact CD1-CE2 3.84Å; Y56-Y59 HydrophobicContact CE1-CE2 4.4Å; Y56-Y59 WeakPolarHBondContact O-CB 3.21Å; Y56-Y59 PolarHBondContact O-N 3.31Å; Y56-Y59 VanDerWaalsContact O-N 3.11Å; W57-Y59 PolarHBondContact O-N 2.96Å; Y59-S62 PolarHBondContact O-N 3.25Å; Y59-L63 VanDerWaalsContact O-CB 3.24Å; Y59-L63 WeakPolarHBondContact O-CB 3.43Å; Y59-L63 PolarHBondContact O-N 3.33Å; Y59-I356 HydrophobicContact CE1-CD1 4.05Å |
| 60 | V | 86.6 | Confident | 83.9 | Confident | 57 Ų | 57 | 54.1 Ų | 54.1 | 35% | 0.345 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.5 | -47 | 174.7 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | W57 S62 L63 V64 | W57-V60 HydrophobicContact CE3-CG2 4.41Å; W57-V60 WeakPolarHBondContact O-CA 3.46Å; W57-V60 VanDerWaalsContact O-CB 3.29Å; W57-V60 WeakPolarHBondContact O-CB 3.2Å; W57-V60 PolarHBondContact O-N 3.05Å; V60-S62 PolarHBondContact O-N 2.94Å; V60-L63 PolarHBondContact O-N 3.31Å; V60-V64 HydrophobicContact CG1-CG2 4.47Å; V60-V64 WeakPolarHBondContact O-CG2 3.22Å; V60-V64 PolarHBondContact O-N 2.74Å |
| 61 | V | 88.5 | Confident | 84.5 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 178.1 | -176.4 | 0 | 0 | 0 | 0 | 111 | W57 I58 L63 V64 L65 W107 V170 V171 Q174 | W57-V61 WeakPolarHBondContact O-CG2 3.33Å; W57-V61 PolarHBondContact O-N 3.42Å; I58-V61 PolarHBondContact O-N 2.97Å; V61-L63 VanDerWaalsContact C-N 3.32Å; V61-L63 PolarHBondContact O-N 3.4Å; V61-V64 PolarHBondContact O-N 3.32Å; V61-L65 WeakPolarHBondContact O-CB 3.13Å; V61-L65 PolarHBondContact O-N 2.94Å; V61-W107 HydrophobicContact CB-CH2 4.24Å; V61-W107 HydrophobicContact CG1-CE3 4.11Å; V61-W107 HydrophobicContact CG1-CH2 3.48Å; V61-W107 VanDerWaalsContact CG1-CH2 3.48Å; V61-W107 HydrophobicContact CG1-CZ2 4.22Å; V61-W107 HydrophobicContact CG1-CZ3 3.39Å; V61-V170 HydrophobicContact CB-CG1 4.3Å; V61-V170 HydrophobicContact CG2-CG1 3.8Å; V61-V171 HydrophobicContact CG1-CG2 4.19Å; V61-Q174 HydrophobicContact CG2-CB 3.68Å; V61-Q174 HydrophobicContact CG2-CG 3.97Å |
| 62 | S | 84.4 | Confident | 84.8 | Confident | 29 Ų | 29 | 53 Ų | 53 | 20% | 0.203 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.2 | -36.3 | 177.8 | -173 | 0 | 0 | 0 | 0 | 112.6 | I58 Y59 V60 M66 | I58-S62 WeakPolarHBondContact O-CB 3.38Å; I58-S62 PolarHBondContact O-N 3.02Å; Y59-S62 PolarHBondContact O-N 3.25Å; V60-S62 PolarHBondContact O-N 2.94Å; S62-M66 WeakPolarHBondContact O-CB 3.38Å; S62-M66 PolarHBondContact O-N 3.09Å; S62-M66 VanDerWaalsContact O-N 3.11Å |
| 63 | L | 87.2 | Confident | 85.1 | Confident | 99 Ų | 99 | 52.8 Ų | 52.8 | 52% | 0.518 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67 | -46.1 | 176.2 | -179.5 | 72.1 | 0 | 0 | 0 | 110.9 | Y59 V60 V61 L65 M66 V67 | Y59-L63 VanDerWaalsContact O-CB 3.24Å; Y59-L63 WeakPolarHBondContact O-CB 3.43Å; Y59-L63 PolarHBondContact O-N 3.33Å; V60-L63 PolarHBondContact O-N 3.31Å; V61-L63 VanDerWaalsContact C-N 3.32Å; V61-L63 PolarHBondContact O-N 3.4Å; L63-L65 VanDerWaalsContact C-N 3.33Å; L63-L65 PolarHBondContact O-N 3.36Å; L63-M66 HydrophobicContact CD1-CE 3.86Å; L63-M66 WeakPolarHBondContact O-CB 3.29Å; L63-M66 PolarHBondContact O-N 3.17Å; L63-V67 VanDerWaalsContact O-CG2 3.3Å; L63-V67 WeakPolarHBondContact O-CG2 3.47Å; L63-V67 PolarHBondContact O-N 3.16Å |
| 64 | V | 88.5 | Confident | 85.4 | Confident | 34 Ų | 34 | 50.7 Ų | 50.7 | 21% | 0.206 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 178.5 | 178.1 | 0 | 0 | 0 | 0 | 110.7 | V60 V61 M66 V67 I68 F167 | V60-V64 HydrophobicContact CG1-CG2 4.47Å; V60-V64 WeakPolarHBondContact O-CG2 3.22Å; V60-V64 PolarHBondContact O-N 2.74Å; V61-V64 PolarHBondContact O-N 3.32Å; V64-M66 VanDerWaalsContact C-N 3.33Å; V64-M66 PolarHBondContact O-N 2.97Å; V64-V67 PolarHBondContact O-N 3.35Å; V64-I68 HydrophobicContact CG1-CD1 3.78Å; V64-I68 HydrophobicContact CG1-CG1 4.41Å; V64-I68 VanDerWaalsContact O-CG1 3.28Å; V64-I68 WeakPolarHBondContact O-CG1 3.4Å; V64-I68 PolarHBondContact O-N 2.8Å; V64-F167 HydrophobicContact CB-CD2 4.37Å; V64-F167 HydrophobicContact CG1-CD2 3.73Å; V64-F167 HydrophobicContact CG1-CE2 4.5Å |
| 65 | L | 88.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.7 | -43.3 | 174.5 | 178.3 | 60.3 | 0 | 0 | 0 | 112.1 | V61 L63 S69 Y81 F85 Y106 L110 F167 | V61-L65 WeakPolarHBondContact O-CB 3.13Å; V61-L65 PolarHBondContact O-N 2.94Å; L63-L65 VanDerWaalsContact C-N 3.33Å; L63-L65 PolarHBondContact O-N 3.36Å; L65-S69 PolarHBondContact O-N 2.7Å; L65-S69 VanDerWaalsContact O-N 3.14Å; L65-S69 PolarHBondContact O-OG 3.25Å; L65-Y81 HydrophobicContact CD1-CD1 3.98Å; L65-F85 HydrophobicContact CD2-CB 3.97Å; L65-F85 HydrophobicContact CD2-CD2 4.35Å; L65-F85 HydrophobicContact CG-CB 4Å; L65-F85 HydrophobicContact CG-CD2 4.45Å; L65-Y106 WeakPolarHBondContact CD2-OH 3.23Å; L65-L110 HydrophobicContact CD1-CD1 4.28Å; L65-L110 HydrophobicContact CD1-CD2 4.33Å; L65-L110 HydrophobicContact CD2-CD2 4.2Å; L65-F167 HydrophobicContact CB-CE2 3.82Å; L65-F167 HydrophobicContact CB-CZ 3.98Å; L65-F167 HydrophobicContact CD1-CE1 4.14Å; L65-F167 HydrophobicContact CD1-CE2 4.28Å; L65-F167 HydrophobicContact CD1-CZ 3.64Å; L65-F167 HydrophobicContact CG-CZ 4.28Å |
| 66 | M | 87.1 | Confident | 86 | Confident | 30 Ų | 30 | 47.5 Ų | 47.5 | 15% | 0.148 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.1 | -40.4 | 175.6 | -174.2 | -164.4 | 78.8 | 0 | 0 | 112.5 | S62 L63 V64 I68 S69 I70 F85 I345 | S62-M66 WeakPolarHBondContact O-CB 3.38Å; S62-M66 PolarHBondContact O-N 3.09Å; S62-M66 VanDerWaalsContact O-N 3.11Å; L63-M66 HydrophobicContact CD1-CE 3.86Å; L63-M66 WeakPolarHBondContact O-CB 3.29Å; L63-M66 PolarHBondContact O-N 3.17Å; V64-M66 VanDerWaalsContact C-N 3.33Å; V64-M66 PolarHBondContact O-N 2.97Å; M66-I68 VanDerWaalsContact C-N 3.32Å; M66-I68 PolarHBondContact O-N 2.98Å; M66-S69 PolarHBondContact O-N 3.46Å; M66-S69 PolarHBondContact O-OG 3.33Å; M66-I70 HydrophobicContact CG-CD1 3.77Å; M66-I70 WeakPolarHBondContact O-CD1 2.9Å; M66-I70 WeakPolarHBondContact O-CG1 3.38Å; M66-I70 PolarHBondContact O-N 2.89Å; M66-F85 HydrophobicContact CB-CD2 4.09Å; M66-F85 HydrophobicContact CB-CE2 3.83Å; M66-F85 HydrophobicContact CB-CZ 4.07Å; M66-F85 HydrophobicContact CG-CE1 4.21Å; M66-F85 HydrophobicContact CG-CE2 4.26Å; M66-F85 HydrophobicContact CG-CZ 3.96Å; M66-F85 HydrophobicContact SD-CZ 4.21Å; M66-I345 HydrophobicContact SD-CG2 3.64Å |
| 67 | V | 87 | Confident | 86.2 | Confident | 88 Ų | 88 | 43.6 Ų | 43.6 | 53% | 0.533 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65 | -38.7 | 179.2 | 168.8 | 0 | 0 | 0 | 0 | 111.1 | L63 V64 | L63-V67 VanDerWaalsContact O-CG2 3.3Å; L63-V67 WeakPolarHBondContact O-CG2 3.47Å; L63-V67 PolarHBondContact O-N 3.16Å; V64-V67 PolarHBondContact O-N 3.35Å |
| 68 | I | 87.4 | Confident | 86.2 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.7 | -38.3 | 178.7 | -67.2 | 169.3 | 0 | 0 | 0 | 111 | V64 M66 I70 R71 Y81 T163 F167 | V64-I68 HydrophobicContact CG1-CD1 3.78Å; V64-I68 HydrophobicContact CG1-CG1 4.41Å; V64-I68 VanDerWaalsContact O-CG1 3.28Å; V64-I68 WeakPolarHBondContact O-CG1 3.4Å; V64-I68 PolarHBondContact O-N 2.8Å; M66-I68 VanDerWaalsContact C-N 3.32Å; M66-I68 PolarHBondContact O-N 2.98Å; I68-I70 VanDerWaalsContact C-N 3.28Å; I68-I70 PolarHBondContact O-N 3.2Å; I68-R71 WeakPolarHBondContact O-CB 3.49Å; I68-R71 PolarHBondContact O-N 3.43Å; I68-Y81 HydrophobicContact CG2-CD2 3.78Å; I68-Y81 HydrophobicContact CG2-CE2 4.07Å; I68-Y81 HydrophobicContact CG2-CG 4.19Å; I68-T163 HydrophobicContact CD1-CG2 4.24Å; I68-T163 HydrophobicContact CG1-CG2 3.79Å; I68-T163 HydrophobicContact CG2-CG2 4.36Å; I68-F167 HydrophobicContact CD1-CB 3.38Å; I68-F167 HydrophobicContact CD1-CD1 4.35Å; I68-F167 HydrophobicContact CD1-CD2 3.76Å; I68-F167 HydrophobicContact CD1-CG 3.56Å |
| 69 | S | 86.7 | Confident | 86.4 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.1 | -23.3 | -178.4 | 69.7 | 0 | 0 | 0 | 0 | 114.3 | L65 M66 M82 | L65-S69 PolarHBondContact O-N 2.7Å; L65-S69 VanDerWaalsContact O-N 3.14Å; L65-S69 PolarHBondContact O-OG 3.25Å; M66-S69 PolarHBondContact O-N 3.46Å; M66-S69 PolarHBondContact O-OG 3.33Å; S69-M82 WeakPolarHBondContact OG-CE 3.43Å; S69-M82 PolarHBondContact OG-SD 3.37Å |
| 70 | I | 85.8 | Confident | 86.6 | Confident | 20 Ų | 20 | 39.3 Ų | 39.3 | 10% | 0.103 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -0.7 | -178.7 | -58.9 | 162.5 | 0 | 0 | 0 | 111.6 | M66 I68 M82 I337 I345 | M66-I70 HydrophobicContact CG-CD1 3.77Å; M66-I70 WeakPolarHBondContact O-CD1 2.9Å; M66-I70 WeakPolarHBondContact O-CG1 3.38Å; M66-I70 PolarHBondContact O-N 2.89Å; I68-I70 VanDerWaalsContact C-N 3.28Å; I68-I70 PolarHBondContact O-N 3.2Å; I70-M82 HydrophobicContact CD1-CE 4.38Å; I70-M82 HydrophobicContact CG1-CE 3.61Å; I70-I337 HydrophobicContact CG2-CG2 3.95Å; I70-I337 WeakPolarHBondContact O-CG2 3.43Å; I70-I345 HydrophobicContact CD1-CD1 3.37Å; I70-I345 HydrophobicContact CD1-CG1 4.17Å; I70-I345 HydrophobicContact CG1-CD1 4.35Å |
| 71 | R | 84.8 | Confident | 86.8 | Confident | 105 Ų | 105 | 36.6 Ų | 36.6 | 40% | 0.396 | 20% | 0.195 | S | C | . | . | P | Polyproline II helix | trans | -67.4 | 142.1 | -176.6 | -167.7 | 174.6 | -178 | 129.2 | 6 | 111.8 | I68 N78 T163 | I68-R71 WeakPolarHBondContact O-CB 3.49Å; I68-R71 PolarHBondContact O-N 3.43Å; R71-N78 PolarHBondContact O-ND2 3.45Å; R71-N78 VanDerWaalsContact O-ND2 3.14Å; R71-T163 PolarHBondContact NH1-OG1 3.4Å |
| 72 | Q | 79 | Confident | 86.9 | Confident | 92 Ų | 92 | 36.8 Ų | 36.8 | 43% | 0.43 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -102.7 | 149.2 | 176.1 | -64.3 | -178.7 | -51.3 | 0 | 0 | 111.7 | N335 S336 I337 | Q72-N335 VanDerWaalsContact NE2-C 3.3Å; Q72-N335 PolarHBondContact NE2-O 3.22Å; Q72-N335 PolarHBondContact OE1-O 3.26Å; Q72-S336 VanDerWaalsContact NE2-CA 3.35Å; Q72-I337 HydrophobicContact CG-CG2 3.7Å |
| 73 | P | 80.6 | Confident | 87.2 | Confident | 81 Ų | 81 | 37.2 Ų | 37.2 | 53% | 0.526 | 20% | 0.202 | S | C | . | . | S | Bend | cis | -64.7 | 154.6 | -7.7 | 27.7 | -34.8 | 0 | 0 | 0 | 112.7 | F75 N78 | P73-F75 HydrophobicContact CB-CZ 4.34Å; P73-F75 HydrophobicContact CG-CD2 4.43Å; P73-F75 HydrophobicContact CG-CE1 4.17Å; P73-F75 HydrophobicContact CG-CE2 3.63Å; P73-F75 HydrophobicContact CG-CZ 3.48Å; P73-F75 VanDerWaalsContact CG-CZ 3.48Å; P73-F75 PolarHBondContact O-N 3.47Å; P73-N78 PolarHBondContact O-ND2 2.96Å |
| 74 | V | 84.6 | Confident | 87.4 | Confident | 20 Ų | 20 | 34.4 Ų | 34.4 | 12% | 0.121 | 19% | 0.185 | C | C | . | . | trans | -81.6 | 112.5 | -178.4 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | I79 M292 Q295 L296 I337 | V74-I79 HydrophobicContact CG1-CD1 4.3Å; V74-I79 HydrophobicContact CG1-CG1 3.94Å; V74-M292 HydrophobicContact CG1-CB 4.46Å; V74-Q295 HydrophobicContact CB-CB 4.46Å; V74-L296 WeakPolarHBondContact O-CD2 3.42Å; V74-I337 HydrophobicContact CG2-CB 4.38Å; V74-I337 HydrophobicContact CG2-CD1 4.34Å; V74-I337 HydrophobicContact CG2-CG1 4.37Å; V74-I337 HydrophobicContact CG2-CG2 4.33Å | ||
| 75 | F | 87 | Confident | 87.5 | Confident | 13 Ų | 13 | 33.1 Ų | 33.1 | 6% | 0.057 | 18% | 0.177 | C | C | . | . | trans | -104.8 | 161.8 | 172.9 | -61 | -63.2 | 0 | 0 | 0 | 111.1 | P73 Y77 N78 I79 I145 D146 V150 Y152 | P73-F75 HydrophobicContact CB-CZ 4.34Å; P73-F75 HydrophobicContact CG-CD2 4.43Å; P73-F75 HydrophobicContact CG-CE1 4.17Å; P73-F75 HydrophobicContact CG-CE2 3.63Å; P73-F75 HydrophobicContact CG-CZ 3.48Å; P73-F75 VanDerWaalsContact CG-CZ 3.48Å; P73-F75 PolarHBondContact O-N 3.47Å; F75-Y77 HydrophobicContact CB-CD1 3.58Å; F75-Y77 HydrophobicContact CB-CE1 3.38Å; F75-Y77 HydrophobicContact CB-CE2 4.47Å; F75-Y77 HydrophobicContact CB-CG 4.23Å; F75-Y77 AromaticContact CD2-CE1 3.51Å; F75-Y77 HydrophobicContact CD2-CE1 3.51Å; F75-Y77 HydrophobicContact CD2-CE2 4.33Å; F75-Y77 AromaticContact CD2-CZ 3.38Å; F75-Y77 WeakPolarHBondContact CD2-OH 3.37Å; F75-Y77 HydrophobicContact CE2-CE1 4.36Å; F75-Y77 WeakPolarHBondContact CE2-OH 3.49Å; F75-Y77 HydrophobicContact CG-CD1 4.33Å; F75-Y77 AromaticContact CG-CE1 3.64Å; F75-Y77 HydrophobicContact CG-CE1 3.64Å; F75-Y77 AromaticContact CG-CZ 3.97Å; F75-Y77 PolarHBondContact O-N 3.37Å; F75-Y77 VanDerWaalsContact O-N 3.11Å; F75-N78 PolarHBondContact N-ND2 2.83Å; F75-N78 WeakPolarHBondContact O-CB 3.3Å; F75-N78 PolarHBondContact O-N 3.22Å; F75-I79 PolarHBondContact O-N 3.16Å; F75-I145 WeakPolarHBondContact CD1-O 3.3Å; F75-I145 VanDerWaalsContact CE1-O 3.31Å; F75-I145 WeakPolarHBondContact CE1-O 3.48Å; F75-D146 WeakPolarHBondContact CA-O 3.24Å; F75-V150 HydrophobicContact CE1-CG2 4.43Å; F75-Y152 WeakPolarHBondContact CZ-OH 3.3Å | ||
| 76 | A | 87 | Confident | 87.5 | Confident | 28 Ų | 28 | 33.3 Ų | 33.3 | 23% | 0.231 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -52.4 | -36 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N78 I79 I80 D146 | A76-N78 PolarHBondContact O-N 3.43Å; A76-I79 WeakPolarHBondContact O-CB 3.4Å; A76-I79 PolarHBondContact O-N 3.38Å; A76-I80 WeakPolarHBondContact O-CG1 3.42Å; A76-I80 PolarHBondContact O-N 3.36Å; A76-I80 VanDerWaalsContact O-N 3.08Å; A76-D146 PolarHBondContact N-O 3.01Å |
| 77 | Y | 88 | Confident | 87.6 | Confident | 31 Ų | 31 | 34 Ų | 34 | 12% | 0.122 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.9 | -30.8 | 176.6 | 66.9 | -103.3 | 0 | 0 | 0 | 113.8 | F75 I79 I80 Y81 Y113 V117 V147 | F75-Y77 HydrophobicContact CB-CD1 3.58Å; F75-Y77 HydrophobicContact CB-CE1 3.38Å; F75-Y77 HydrophobicContact CB-CE2 4.47Å; F75-Y77 HydrophobicContact CB-CG 4.23Å; F75-Y77 AromaticContact CD2-CE1 3.51Å; F75-Y77 HydrophobicContact CD2-CE1 3.51Å; F75-Y77 HydrophobicContact CD2-CE2 4.33Å; F75-Y77 AromaticContact CD2-CZ 3.38Å; F75-Y77 WeakPolarHBondContact CD2-OH 3.37Å; F75-Y77 HydrophobicContact CE2-CE1 4.36Å; F75-Y77 WeakPolarHBondContact CE2-OH 3.49Å; F75-Y77 HydrophobicContact CG-CD1 4.33Å; F75-Y77 AromaticContact CG-CE1 3.64Å; F75-Y77 HydrophobicContact CG-CE1 3.64Å; F75-Y77 AromaticContact CG-CZ 3.97Å; F75-Y77 PolarHBondContact O-N 3.37Å; F75-Y77 VanDerWaalsContact O-N 3.11Å; Y77-I79 VanDerWaalsContact C-N 3.32Å; Y77-I80 PolarHBondContact O-N 3.11Å; Y77-Y81 HydrophobicContact CD2-CD2 4.21Å; Y77-Y81 HydrophobicContact CD2-CE2 4.05Å; Y77-Y81 WeakPolarHBondContact O-CD2 3.41Å; Y77-Y81 PolarHBondContact O-N 2.91Å; Y77-Y113 VanDerWaalsContact CA-OH 3.23Å; Y77-Y113 WeakPolarHBondContact CA-OH 3.23Å; Y77-Y113 VanDerWaalsContact CB-OH 3.27Å; Y77-Y113 WeakPolarHBondContact CB-OH 3.44Å; Y77-Y113 PolarHBondContact O-OH 3.46Å; Y77-V117 HydrophobicContact CD1-CG1 4.48Å; Y77-V117 HydrophobicContact CD2-CG1 4.19Å; Y77-V117 HydrophobicContact CG-CG1 4.09Å; Y77-V147 WeakPolarHBondContact CD1-O 3.41Å |
| 78 | N | 88.5 | Confident | 87.6 | Confident | 5 Ų | 5 | 30.3 Ų | 30.3 | 3% | 0.027 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.4 | -37.6 | 172.7 | -66.6 | -17.7 | 0 | 0 | 0 | 110.8 | R71 P73 F75 A76 I80 Y81 M82 | R71-N78 PolarHBondContact O-ND2 3.45Å; R71-N78 VanDerWaalsContact O-ND2 3.14Å; P73-N78 PolarHBondContact O-ND2 2.96Å; F75-N78 PolarHBondContact N-ND2 2.83Å; F75-N78 WeakPolarHBondContact O-CB 3.3Å; F75-N78 PolarHBondContact O-N 3.22Å; A76-N78 PolarHBondContact O-N 3.43Å; N78-I80 VanDerWaalsContact C-N 3.34Å; N78-Y81 PolarHBondContact O-N 3.39Å; N78-M82 PolarHBondContact O-N 3.46Å |
| 79 | I | 90 | Very high | 87.6 | Confident | 15 Ų | 15 | 30.4 Ų | 30.4 | 8% | 0.077 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63 | -42.3 | 175 | -55 | 179 | 0 | 0 | 0 | 110.7 | V74 F75 A76 Y77 M82 A83 L289 M292 L293 L296 | V74-I79 HydrophobicContact CG1-CD1 4.3Å; V74-I79 HydrophobicContact CG1-CG1 3.94Å; F75-I79 PolarHBondContact O-N 3.16Å; A76-I79 WeakPolarHBondContact O-CB 3.4Å; A76-I79 PolarHBondContact O-N 3.38Å; Y77-I79 VanDerWaalsContact C-N 3.32Å; I79-M82 WeakPolarHBondContact O-CB 3.23Å; I79-M82 PolarHBondContact O-N 2.95Å; I79-A83 PolarHBondContact O-N 3.45Å; I79-L289 HydrophobicContact CG2-CD2 3.99Å; I79-M292 HydrophobicContact CB-CE 4.26Å; I79-M292 HydrophobicContact CG1-CB 4.17Å; I79-M292 HydrophobicContact CG1-CE 4.13Å; I79-M292 HydrophobicContact CG2-CE 4.45Å; I79-L293 HydrophobicContact CD1-CD2 3.74Å; I79-L293 HydrophobicContact CD1-CG 4.13Å; I79-L293 HydrophobicContact CG2-CD2 4.3Å; I79-L293 HydrophobicContact CG2-CG 4.31Å; I79-L296 HydrophobicContact CD1-CD1 3.55Å; I79-L296 HydrophobicContact CD1-CD2 4.48Å; I79-L296 HydrophobicContact CD1-CG 4.07Å |
| 80 | I | 91.3 | Very high | 87.5 | Confident | 71 Ų | 71 | 31.3 Ų | 31.3 | 36% | 0.364 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -67.4 | -39.9 | 176.2 | -63.9 | 164.8 | 0 | 0 | 0 | 111.2 | A76 Y77 N78 M82 A83 F84 Y113 | A76-I80 WeakPolarHBondContact O-CG1 3.42Å; A76-I80 PolarHBondContact O-N 3.36Å; A76-I80 VanDerWaalsContact O-N 3.08Å; Y77-I80 PolarHBondContact O-N 3.11Å; N78-I80 VanDerWaalsContact C-N 3.34Å; I80-M82 VanDerWaalsContact C-N 3.29Å; I80-M82 PolarHBondContact O-N 3.08Å; I80-A83 WeakPolarHBondContact O-CB 3.27Å; I80-A83 PolarHBondContact O-N 3.26Å; I80-A83 VanDerWaalsContact O-N 3.11Å; I80-F84 HydrophobicContact CG2-CD2 3.81Å; I80-F84 HydrophobicContact CG2-CE2 3.52Å; I80-F84 VanDerWaalsContact O-CD2 3.23Å; I80-F84 WeakPolarHBondContact O-CD2 3.33Å; I80-F84 PolarHBondContact O-N 3.5Å; I80-Y113 HydrophobicContact CB-CE1 4.28Å; I80-Y113 HydrophobicContact CB-CE2 4.4Å; I80-Y113 VanDerWaalsContact CB-OH 3.3Å; I80-Y113 WeakPolarHBondContact CB-OH 3.37Å; I80-Y113 HydrophobicContact CD1-CE2 4.22Å; I80-Y113 WeakPolarHBondContact CD1-OH 3.28Å; I80-Y113 HydrophobicContact CG2-CD1 4.44Å; I80-Y113 HydrophobicContact CG2-CD2 4.37Å; I80-Y113 HydrophobicContact CG2-CE1 3.77Å; I80-Y113 HydrophobicContact CG2-CE2 3.69Å; I80-Y113 WeakPolarHBondContact CG2-OH 3.33Å |
| 81 | Y | 91.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60 | -38.8 | 171.6 | -77.5 | -57.1 | 0 | 0 | 0 | 112.5 | L65 I68 Y77 N78 F84 F85 L110 Y113 S114 F167 | L65-Y81 HydrophobicContact CD1-CD1 3.98Å; I68-Y81 HydrophobicContact CG2-CD2 3.78Å; I68-Y81 HydrophobicContact CG2-CE2 4.07Å; I68-Y81 HydrophobicContact CG2-CG 4.19Å; Y77-Y81 HydrophobicContact CD2-CD2 4.21Å; Y77-Y81 HydrophobicContact CD2-CE2 4.05Å; Y77-Y81 WeakPolarHBondContact O-CD2 3.41Å; Y77-Y81 PolarHBondContact O-N 2.91Å; N78-Y81 PolarHBondContact O-N 3.39Å; Y81-F84 PolarHBondContact O-N 2.81Å; Y81-F85 PolarHBondContact O-N 3.33Å; Y81-L110 HydrophobicContact CD1-CD1 4.17Å; Y81-L110 HydrophobicContact CE1-CD1 4.22Å; Y81-Y113 HydrophobicContact CD1-CD1 4.11Å; Y81-Y113 AromaticContact CD1-CE1 3.93Å; Y81-Y113 HydrophobicContact CD1-CE1 3.93Å; Y81-Y113 HydrophobicContact CD2-CE1 4.28Å; Y81-Y113 AromaticContact CE1-CD1 3.6Å; Y81-Y113 HydrophobicContact CE1-CD1 3.6Å; Y81-Y113 AromaticContact CE1-CE1 3.65Å; Y81-Y113 HydrophobicContact CE1-CE1 3.65Å; Y81-Y113 HydrophobicContact CE2-CE1 4.03Å; Y81-Y113 HydrophobicContact CG-CE1 4.22Å; Y81-Y113 AromaticContact CZ-CD1 3.94Å; Y81-Y113 AromaticContact CZ-CE1 3.7Å; Y81-S114 WeakPolarHBondContact OH-CA 3.46Å; Y81-S114 WeakPolarHBondContact OH-CB 3.47Å; Y81-F167 HydrophobicContact CD1-CE1 4.44Å; Y81-F167 HydrophobicContact CE1-CD1 4.17Å; Y81-F167 HydrophobicContact CE1-CE1 4.02Å |
| 82 | M | 89.7 | Confident | 87.6 | Confident | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.02 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.1 | -43.2 | 171.9 | -172.2 | 64.9 | 83.6 | 0 | 0 | 111.3 | S69 I70 N78 I79 I80 F84 F85 L86 L289 M292 L341 | S69-M82 WeakPolarHBondContact OG-CE 3.43Å; S69-M82 PolarHBondContact OG-SD 3.37Å; I70-M82 HydrophobicContact CD1-CE 4.38Å; I70-M82 HydrophobicContact CG1-CE 3.61Å; N78-M82 PolarHBondContact O-N 3.46Å; I79-M82 WeakPolarHBondContact O-CB 3.23Å; I79-M82 PolarHBondContact O-N 2.95Å; I80-M82 VanDerWaalsContact C-N 3.29Å; I80-M82 PolarHBondContact O-N 3.08Å; M82-F84 VanDerWaalsContact C-N 3.26Å; M82-F84 PolarHBondContact O-N 3.1Å; M82-F85 WeakPolarHBondContact O-CB 3.44Å; M82-F85 PolarHBondContact O-N 2.96Å; M82-F85 VanDerWaalsContact O-N 3.11Å; M82-F85 HydrophobicContact SD-CD1 3.95Å; M82-L86 HydrophobicContact CG-CD1 3.72Å; M82-L86 HydrophobicContact CG-CG 4.1Å; M82-L86 WeakPolarHBondContact O-CB 3.06Å; M82-L86 VanDerWaalsContact O-CG 3.24Å; M82-L86 WeakPolarHBondContact O-CG 3.41Å; M82-L86 PolarHBondContact O-N 2.82Å; M82-L86 HydrophobicContact SD-CD1 4.41Å; M82-L86 HydrophobicContact SD-CG 4.29Å; M82-L289 HydrophobicContact CB-CD2 4.16Å; M82-L289 HydrophobicContact CG-CD2 4.1Å; M82-M292 HydrophobicContact CB-CE 3.22Å; M82-M292 HydrophobicContact CE-CE 4.08Å; M82-M292 HydrophobicContact CE-SD 3.9Å; M82-M292 HydrophobicContact CG-CE 3.62Å; M82-L341 HydrophobicContact CE-CD1 4.18Å |
| 83 | A | 91.8 | Very high | 87.8 | Confident | 38 Ų | 38 | 24.8 Ų | 24.8 | 31% | 0.314 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -58.8 | -40 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I79 I80 L86 S87 L289 | I79-A83 PolarHBondContact O-N 3.45Å; I80-A83 WeakPolarHBondContact O-CB 3.27Å; I80-A83 PolarHBondContact O-N 3.26Å; I80-A83 VanDerWaalsContact O-N 3.11Å; A83-L86 PolarHBondContact O-N 3.45Å; A83-S87 VanDerWaalsContact O-CB 3.27Å; A83-S87 WeakPolarHBondContact O-CB 3.29Å; A83-S87 PolarHBondContact O-N 3.08Å; A83-S87 PolarHBondContact O-OG 2.83Å; A83-L289 HydrophobicContact CB-CD1 4.47Å; A83-L289 HydrophobicContact CB-CD2 4.2Å |
| 84 | F | 91.4 | Very high | 87.9 | Confident | 40 Ų | 40 | 26 Ų | 26 | 18% | 0.175 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.3 | -43.4 | 172.4 | -79.7 | -61.6 | 0 | 0 | 0 | 112.8 | I80 Y81 M82 S87 L88 Y106 I109 L110 Y113 | I80-F84 HydrophobicContact CG2-CD2 3.81Å; I80-F84 HydrophobicContact CG2-CE2 3.52Å; I80-F84 VanDerWaalsContact O-CD2 3.23Å; I80-F84 WeakPolarHBondContact O-CD2 3.33Å; I80-F84 PolarHBondContact O-N 3.5Å; Y81-F84 PolarHBondContact O-N 2.81Å; M82-F84 VanDerWaalsContact C-N 3.26Å; M82-F84 PolarHBondContact O-N 3.1Å; F84-S87 PolarHBondContact O-N 3.21Å; F84-S87 PolarHBondContact O-OG 3.28Å; F84-L88 PolarHBondContact O-N 3.49Å; F84-Y106 HydrophobicContact CD1-CE2 4.06Å; F84-Y106 PolarHBondContact O-OH 3.16Å; F84-I109 HydrophobicContact CE1-CG2 3.95Å; F84-I109 HydrophobicContact CZ-CG2 4.09Å; F84-L110 HydrophobicContact CB-CD1 4Å; F84-L110 HydrophobicContact CD1-CD1 4.36Å; F84-L110 HydrophobicContact CD2-CD1 3.77Å; F84-L110 HydrophobicContact CE2-CD1 4.31Å; F84-L110 HydrophobicContact CG-CD1 3.8Å; F84-Y113 HydrophobicContact CD2-CD1 4.14Å; F84-Y113 HydrophobicContact CD2-CE1 4.47Å; F84-Y113 AromaticContact CE2-CD1 3.64Å; F84-Y113 HydrophobicContact CE2-CD1 3.64Å; F84-Y113 HydrophobicContact CE2-CD2 4.18Å; F84-Y113 HydrophobicContact CE2-CE1 4.14Å; F84-Y113 AromaticContact CE2-CG 3.67Å; F84-Y113 HydrophobicContact CE2-CG 3.67Å; F84-Y113 HydrophobicContact CZ-CG 4.32Å |
| 85 | F | 89.8 | Confident | 87.8 | Confident | 6 Ų | 6 | 28.8 Ų | 28.8 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.4 | -47.3 | 175.9 | 174.1 | -107.7 | 0 | 0 | 0 | 111.6 | L65 M66 Y81 M82 L88 I89 | L65-F85 HydrophobicContact CD2-CB 3.97Å; L65-F85 HydrophobicContact CD2-CD2 4.35Å; L65-F85 HydrophobicContact CG-CB 4Å; L65-F85 HydrophobicContact CG-CD2 4.45Å; M66-F85 HydrophobicContact CB-CD2 4.09Å; M66-F85 HydrophobicContact CB-CE2 3.83Å; M66-F85 HydrophobicContact CB-CZ 4.07Å; M66-F85 HydrophobicContact CG-CE1 4.21Å; M66-F85 HydrophobicContact CG-CE2 4.26Å; M66-F85 HydrophobicContact CG-CZ 3.96Å; M66-F85 HydrophobicContact SD-CZ 4.21Å; Y81-F85 PolarHBondContact O-N 3.33Å; M82-F85 WeakPolarHBondContact O-CB 3.44Å; M82-F85 PolarHBondContact O-N 2.96Å; M82-F85 VanDerWaalsContact O-N 3.11Å; M82-F85 HydrophobicContact SD-CD1 3.95Å; F85-L88 WeakPolarHBondContact O-CB 3.48Å; F85-L88 PolarHBondContact O-N 3.46Å; F85-I89 HydrophobicContact CD1-CD1 4.35Å; F85-I89 HydrophobicContact CE1-CD1 3.69Å; F85-I89 HydrophobicContact CE2-CD1 3.89Å; F85-I89 HydrophobicContact CZ-CD1 3.43Å; F85-I89 VanDerWaalsContact CZ-CD1 3.43Å; F85-I89 PolarHBondContact O-N 2.85Å |
| 86 | L | 89.8 | Confident | 87.6 | Confident | 5 Ų | 5 | 30.1 Ų | 30.1 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.5 | -41.3 | 178.9 | -65.6 | 172.1 | 0 | 0 | 0 | 110.8 | M82 A83 L88 I89 S90 A285 L289 F348 | M82-L86 HydrophobicContact CG-CD1 3.72Å; M82-L86 HydrophobicContact CG-CG 4.1Å; M82-L86 WeakPolarHBondContact O-CB 3.06Å; M82-L86 VanDerWaalsContact O-CG 3.24Å; M82-L86 WeakPolarHBondContact O-CG 3.41Å; M82-L86 PolarHBondContact O-N 2.82Å; M82-L86 HydrophobicContact SD-CD1 4.41Å; M82-L86 HydrophobicContact SD-CG 4.29Å; A83-L86 PolarHBondContact O-N 3.45Å; L86-L88 VanDerWaalsContact C-N 3.32Å; L86-L88 PolarHBondContact O-N 3.22Å; L86-I89 PolarHBondContact O-N 2.9Å; L86-S90 WeakPolarHBondContact O-CB 3.47Å; L86-S90 PolarHBondContact O-N 3.26Å; L86-S90 PolarHBondContact O-OG 3.04Å; L86-A285 HydrophobicContact CB-CB 4.25Å; L86-A285 HydrophobicContact CD1-CB 3.89Å; L86-A285 HydrophobicContact CD2-CB 4.24Å; L86-A285 HydrophobicContact CG-CB 4.35Å; L86-L289 HydrophobicContact CD1-CD1 4.24Å; L86-L289 HydrophobicContact CD1-CD2 4.09Å; L86-L289 HydrophobicContact CD1-CG 3.83Å; L86-F348 HydrophobicContact CD2-CD1 4.06Å; L86-F348 HydrophobicContact CD2-CD2 3.7Å; L86-F348 HydrophobicContact CD2-CE1 3.78Å; L86-F348 HydrophobicContact CD2-CE2 3.41Å; L86-F348 VanDerWaalsContact CD2-CE2 3.41Å; L86-F348 HydrophobicContact CD2-CG 4.05Å; L86-F348 HydrophobicContact CD2-CZ 3.45Å; L86-F348 VanDerWaalsContact CD2-CZ 3.45Å |
| 87 | S | 87.9 | Confident | 87.2 | Confident | 43 Ų | 43 | 32 Ų | 32 | 30% | 0.301 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.4 | -37 | 176.5 | 79 | 0 | 0 | 0 | 0 | 112.1 | A83 F84 I89 S90 V91 | A83-S87 VanDerWaalsContact O-CB 3.27Å; A83-S87 WeakPolarHBondContact O-CB 3.29Å; A83-S87 PolarHBondContact O-N 3.08Å; A83-S87 PolarHBondContact O-OG 2.83Å; F84-S87 PolarHBondContact O-N 3.21Å; F84-S87 PolarHBondContact O-OG 3.28Å; S87-I89 VanDerWaalsContact C-N 3.33Å; S87-I89 PolarHBondContact O-N 3.29Å; S87-S90 PolarHBondContact O-N 2.92Å; S87-V91 WeakPolarHBondContact O-CB 3.45Å; S87-V91 WeakPolarHBondContact O-CG2 3.49Å; S87-V91 PolarHBondContact O-N 3.45Å |
| 88 | L | 88 | Confident | 87 | Confident | 12 Ų | 12 | 32 Ų | 32 | 6% | 0.063 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.3 | -45.3 | 175.3 | -177.3 | 70.1 | 0 | 0 | 0 | 111.1 | F84 F85 L86 M92 W99 L103 Y106 W107 | F84-L88 PolarHBondContact O-N 3.49Å; F85-L88 WeakPolarHBondContact O-CB 3.48Å; F85-L88 PolarHBondContact O-N 3.46Å; L86-L88 VanDerWaalsContact C-N 3.32Å; L86-L88 PolarHBondContact O-N 3.22Å; L88-M92 WeakPolarHBondContact O-CB 3.35Å; L88-M92 PolarHBondContact O-N 3.49Å; L88-W99 HydrophobicContact CD1-CZ2 4.4Å; L88-W99 PolarHBondContact O-NE1 3.3Å; L88-L103 HydrophobicContact CD1-CD1 4.09Å; L88-Y106 HydrophobicContact CB-CE1 4.39Å; L88-Y106 HydrophobicContact CB-CE2 4.32Å; L88-Y106 HydrophobicContact CD1-CD1 3.99Å; L88-Y106 HydrophobicContact CD1-CE1 3.75Å; L88-Y106 HydrophobicContact CD1-CG 4.49Å; L88-Y106 HydrophobicContact CD2-CE1 4.45Å; L88-Y106 HydrophobicContact CG-CE1 4.43Å; L88-W107 HydrophobicContact CD2-CH2 4.23Å |
| 89 | I | 86.9 | Confident | 86.9 | Confident | 10 Ų | 10 | 32.6 Ų | 32.6 | 5% | 0.051 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.1 | -44.9 | 179 | -64.7 | 178.6 | 0 | 0 | 0 | 110.7 | F85 L86 S87 V91 M92 L93 F348 A352 | F85-I89 HydrophobicContact CD1-CD1 4.35Å; F85-I89 HydrophobicContact CE1-CD1 3.69Å; F85-I89 HydrophobicContact CE2-CD1 3.89Å; F85-I89 HydrophobicContact CZ-CD1 3.43Å; F85-I89 VanDerWaalsContact CZ-CD1 3.43Å; F85-I89 PolarHBondContact O-N 2.85Å; L86-I89 PolarHBondContact O-N 2.9Å; S87-I89 VanDerWaalsContact C-N 3.33Å; S87-I89 PolarHBondContact O-N 3.29Å; I89-V91 PolarHBondContact O-N 3.1Å; I89-M92 WeakPolarHBondContact O-CB 3.34Å; I89-M92 PolarHBondContact O-N 3.41Å; I89-L93 HydrophobicContact CG2-CD1 3.77Å; I89-L93 WeakPolarHBondContact O-CD1 3.44Å; I89-L93 PolarHBondContact O-N 3.4Å; I89-F348 HydrophobicContact CD1-CB 3.94Å; I89-A352 HydrophobicContact CG2-CB 4.43Å |
| 90 | S | 85.2 | Confident | 86.6 | Confident | 18 Ų | 18 | 32.8 Ų | 32.8 | 13% | 0.126 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61 | -44.2 | 178.4 | -61.4 | 0 | 0 | 0 | 0 | 112.2 | L86 S87 M92 L93 I94 | L86-S90 WeakPolarHBondContact O-CB 3.47Å; L86-S90 PolarHBondContact O-N 3.26Å; L86-S90 PolarHBondContact O-OG 3.04Å; S87-S90 PolarHBondContact O-N 2.92Å; S90-M92 VanDerWaalsContact C-N 3.31Å; S90-M92 PolarHBondContact O-N 3.35Å; S90-L93 WeakPolarHBondContact O-CB 3.29Å; S90-L93 PolarHBondContact O-N 2.85Å; S90-I94 WeakPolarHBondContact O-CG1 3.36Å; S90-I94 PolarHBondContact O-N 2.87Å |
| 91 | V | 86.5 | Confident | 86.3 | Confident | 46 Ų | 46 | 35 Ų | 35 | 28% | 0.279 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.7 | -37.3 | 176.2 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | S87 I89 L93 I94 N95 W99 M102 | S87-V91 WeakPolarHBondContact O-CB 3.45Å; S87-V91 WeakPolarHBondContact O-CG2 3.49Å; S87-V91 PolarHBondContact O-N 3.45Å; I89-V91 PolarHBondContact O-N 3.1Å; V91-L93 VanDerWaalsContact C-N 3.31Å; V91-L93 PolarHBondContact O-N 2.86Å; V91-I94 PolarHBondContact O-N 3.48Å; V91-N95 PolarHBondContact O-N 2.92Å; V91-W99 HydrophobicContact CG1-CB 4Å; V91-M102 HydrophobicContact CG1-SD 4.49Å |
| 92 | M | 85.7 | Confident | 86 | Confident | 16 Ų | 16 | 40.1 Ų | 40.1 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.5 | -36.9 | 174.3 | -168.7 | -177.1 | 64.6 | 0 | 0 | 112.4 | L88 I89 S90 F96 W99 A352 V355 | L88-M92 WeakPolarHBondContact O-CB 3.35Å; L88-M92 PolarHBondContact O-N 3.49Å; I89-M92 WeakPolarHBondContact O-CB 3.34Å; I89-M92 PolarHBondContact O-N 3.41Å; S90-M92 VanDerWaalsContact C-N 3.31Å; S90-M92 PolarHBondContact O-N 3.35Å; M92-F96 HydrophobicContact CG-CD2 4.1Å; M92-W99 HydrophobicContact CB-CD2 4.35Å; M92-W99 HydrophobicContact CB-CG 3.98Å; M92-W99 HydrophobicContact CG-CD2 4.23Å; M92-W99 HydrophobicContact CG-CG 4.28Å; M92-A352 HydrophobicContact CE-CB 3.49Å; M92-A352 VanDerWaalsContact CE-CB 3.49Å; M92-V355 HydrophobicContact CE-CB 4.26Å; M92-V355 HydrophobicContact CG-CG1 4.14Å |
| 93 | L | 83.9 | Confident | 85.9 | Confident | 19 Ų | 19 | 40 Ų | 40 | 10% | 0.099 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71.6 | -34.5 | 176.2 | -78.5 | 148 | 0 | 0 | 0 | 113.2 | I89 S90 V91 F278 C281 M351 V355 | I89-L93 HydrophobicContact CG2-CD1 3.77Å; I89-L93 WeakPolarHBondContact O-CD1 3.44Å; I89-L93 PolarHBondContact O-N 3.4Å; S90-L93 WeakPolarHBondContact O-CB 3.29Å; S90-L93 PolarHBondContact O-N 2.85Å; V91-L93 VanDerWaalsContact C-N 3.31Å; V91-L93 PolarHBondContact O-N 2.86Å; L93-F278 HydrophobicContact CB-CD2 4.43Å; L93-C281 HydrophobicContact CD1-CB 3.76Å; L93-C281 WeakPolarHBondContact CD1-SG 3.17Å; L93-M351 HydrophobicContact CD1-CB 4.44Å; L93-M351 HydrophobicContact CD2-CB 4.48Å; L93-M351 HydrophobicContact CD2-CE 4.16Å; L93-V355 HydrophobicContact CD2-CG2 3.66Å; L93-V355 HydrophobicContact CG-CG2 4.05Å |
| 94 | I | 82.3 | Confident | 85.8 | Confident | 106 Ų | 106 | 43.2 Ų | 43.2 | 54% | 0.544 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.3 | -58.3 | 178.2 | -66.4 | 165.8 | 0 | 0 | 0 | 110.3 | S90 V91 F278 | S90-I94 WeakPolarHBondContact O-CG1 3.36Å; S90-I94 PolarHBondContact O-N 2.87Å; V91-I94 PolarHBondContact O-N 3.48Å; I94-F278 HydrophobicContact CD1-CE2 3.51Å; I94-F278 HydrophobicContact CD1-CZ 3.58Å; I94-F278 HydrophobicContact CG1-CD2 3.73Å; I94-F278 HydrophobicContact CG1-CE1 4.38Å; I94-F278 HydrophobicContact CG1-CE2 3.16Å; I94-F278 HydrophobicContact CG1-CZ 3.52Å |
| 95 | N | 82.6 | Confident | 85.7 | Confident | 79 Ų | 79 | 46 Ų | 46 | 42% | 0.422 | 25% | 0.248 | S | C | . | . | trans | -158.5 | 112.1 | -176.8 | -176 | -12.1 | 0 | 0 | 0 | 110.3 | V91 S97 A98 W99 | V91-N95 PolarHBondContact O-N 2.92Å; N95-S97 PolarHBondContact O-N 3.34Å; N95-S97 VanDerWaalsContact OD1-CB 3.31Å; N95-S97 WeakPolarHBondContact OD1-CB 3.45Å; N95-S97 PolarHBondContact OD1-N 2.93Å; N95-A98 HydrophobicContact CB-CB 3.87Å; N95-A98 PolarHBondContact O-N 3.16Å; N95-A98 PolarHBondContact OD1-N 2.74Å; N95-W99 WeakPolarHBondContact O-CB 3.38Å; N95-W99 PolarHBondContact O-N 2.94Å | ||
| 96 | F | 81.4 | Confident | 85.7 | Confident | 40 Ų | 40 | 47 Ų | 47 | 18% | 0.175 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.8 | -31.7 | 179 | -172.5 | -105.4 | 0 | 0 | 0 | 113.4 | M92 W99 K100 V355 Q359 | M92-F96 HydrophobicContact CG-CD2 4.1Å; F96-W99 AromaticContact CD2-CE3 3.93Å; F96-W99 HydrophobicContact CD2-CE3 3.93Å; F96-W99 HydrophobicContact CD2-CZ3 4.33Å; F96-W99 AromaticContact CE2-CE3 3.68Å; F96-W99 HydrophobicContact CE2-CE3 3.68Å; F96-W99 AromaticContact CE2-CZ3 3.61Å; F96-W99 HydrophobicContact CE2-CZ3 3.61Å; F96-W99 HydrophobicContact CZ-CE3 4.31Å; F96-W99 HydrophobicContact CZ-CZ3 4.05Å; F96-K100 HydrophobicContact CD1-CD 4.12Å; F96-K100 HydrophobicContact CD1-CG 4.42Å; F96-K100 HydrophobicContact CE1-CD 3.62Å; F96-K100 HydrophobicContact CE1-CG 4.07Å; F96-K100 HydrophobicContact CZ-CD 4.17Å; F96-K100 HydrophobicContact CZ-CG 4.26Å; F96-K100 WeakPolarHBondContact O-CG 3.46Å; F96-K100 PolarHBondContact O-N 3.11Å; F96-V355 HydrophobicContact CD2-CG1 4.48Å; F96-Q359 HydrophobicContact CB-CG 4.03Å; F96-Q359 VanDerWaalsContact CB-NE2 3.34Å; F96-Q359 HydrophobicContact CD1-CB 4.48Å; F96-Q359 HydrophobicContact CD1-CG 3.89Å; F96-Q359 HydrophobicContact CD2-CG 4.03Å; F96-Q359 HydrophobicContact CE1-CB 4.48Å; F96-Q359 HydrophobicContact CE1-CG 4.35Å; F96-Q359 HydrophobicContact CE2-CG 4.48Å; F96-Q359 HydrophobicContact CG-CG 3.71Å |
| 97 | S | 80.3 | Confident | 85.7 | Confident | 68 Ų | 68 | 46.8 Ų | 46.8 | 48% | 0.476 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.1 | -44.6 | 176.3 | -169.6 | 0 | 0 | 0 | 0 | 111.3 | N95 W99 K100 N101 | N95-S97 PolarHBondContact O-N 3.34Å; N95-S97 VanDerWaalsContact OD1-CB 3.31Å; N95-S97 WeakPolarHBondContact OD1-CB 3.45Å; N95-S97 PolarHBondContact OD1-N 2.93Å; S97-W99 VanDerWaalsContact C-N 3.35Å; S97-W99 PolarHBondContact O-N 3.4Å; S97-K100 PolarHBondContact O-N 3.26Å; S97-N101 PolarHBondContact O-N 3.14Å; S97-N101 VanDerWaalsContact O-N 3.11Å |
| 98 | A | 82.9 | Confident | 85.8 | Confident | 31 Ų | 31 | 49 Ų | 49 | 26% | 0.256 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | N95 K100 N101 M102 | N95-A98 HydrophobicContact CB-CB 3.87Å; N95-A98 PolarHBondContact O-N 3.16Å; N95-A98 PolarHBondContact OD1-N 2.74Å; A98-K100 PolarHBondContact O-N 3.05Å; A98-N101 PolarHBondContact O-N 3.33Å; A98-M102 WeakPolarHBondContact O-CB 3.33Å; A98-M102 VanDerWaalsContact O-CG 3.3Å; A98-M102 WeakPolarHBondContact O-CG 3.36Å; A98-M102 PolarHBondContact O-N 3.49Å |
| 99 | W | 86.6 | Confident | 86 | Confident | 18 Ų | 18 | 52.3 Ų | 52.3 | 7% | 0.068 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.2 | -47.4 | 175.3 | 177.9 | 82.8 | 0 | 0 | 0 | 112.4 | I58 L88 V91 M92 N95 F96 S97 N101 M102 L103 F182 | I58-W99 HydrophobicContact CD1-CH2 3.52Å; I58-W99 HydrophobicContact CD1-CZ2 3.85Å; L88-W99 HydrophobicContact CD1-CZ2 4.4Å; L88-W99 PolarHBondContact O-NE1 3.3Å; V91-W99 HydrophobicContact CG1-CB 4Å; M92-W99 HydrophobicContact CB-CD2 4.35Å; M92-W99 HydrophobicContact CB-CG 3.98Å; M92-W99 HydrophobicContact CG-CD2 4.23Å; M92-W99 HydrophobicContact CG-CG 4.28Å; N95-W99 WeakPolarHBondContact O-CB 3.38Å; N95-W99 PolarHBondContact O-N 2.94Å; F96-W99 AromaticContact CD2-CE3 3.93Å; F96-W99 HydrophobicContact CD2-CE3 3.93Å; F96-W99 HydrophobicContact CD2-CZ3 4.33Å; F96-W99 AromaticContact CE2-CE3 3.68Å; F96-W99 HydrophobicContact CE2-CE3 3.68Å; F96-W99 AromaticContact CE2-CZ3 3.61Å; F96-W99 HydrophobicContact CE2-CZ3 3.61Å; F96-W99 HydrophobicContact CZ-CE3 4.31Å; F96-W99 HydrophobicContact CZ-CZ3 4.05Å; S97-W99 VanDerWaalsContact C-N 3.35Å; S97-W99 PolarHBondContact O-N 3.4Å; W99-N101 PolarHBondContact O-N 3.35Å; W99-M102 PolarHBondContact O-N 3.05Å; W99-L103 HydrophobicContact CD2-CD1 4.19Å; W99-L103 HydrophobicContact CH2-CD1 4.08Å; W99-L103 HydrophobicContact CZ2-CD1 3.55Å; W99-L103 WeakPolarHBondContact O-CB 3.28Å; W99-L103 PolarHBondContact O-N 2.92Å; W99-F182 HydrophobicContact CH2-CE1 4.25Å; W99-F182 HydrophobicContact CH2-CZ 4.21Å; W99-F182 HydrophobicContact CZ3-CE1 4.22Å; W99-F182 HydrophobicContact CZ3-CZ 4.34Å |
| 100 | K | 84 | Confident | 86.2 | Confident | 18 Ų | 18 | 51.8 Ų | 51.8 | 8% | 0.078 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 176.9 | -79.6 | -175.2 | 64.3 | -173 | 0 | 112.5 | F96 S97 A98 L103 M183 T186 N187 | F96-K100 HydrophobicContact CD1-CD 4.12Å; F96-K100 HydrophobicContact CD1-CG 4.42Å; F96-K100 HydrophobicContact CE1-CD 3.62Å; F96-K100 HydrophobicContact CE1-CG 4.07Å; F96-K100 HydrophobicContact CZ-CD 4.17Å; F96-K100 HydrophobicContact CZ-CG 4.26Å; F96-K100 WeakPolarHBondContact O-CG 3.46Å; F96-K100 PolarHBondContact O-N 3.11Å; S97-K100 PolarHBondContact O-N 3.26Å; A98-K100 PolarHBondContact O-N 3.05Å; K100-L103 WeakPolarHBondContact O-CB 3.31Å; K100-L103 PolarHBondContact O-N 3.4Å; K100-M183 HydrophobicContact CB-CE 4.34Å; K100-T186 WeakPolarHBondContact CE-OG1 3.32Å; K100-T186 VanDerWaalsContact NZ-C 3.35Å; K100-T186 PolarHBondContact NZ-O 2.89Å; K100-T186 PolarHBondContact NZ-OG1 3.3Å; K100-N187 PolarHBondContact NZ-OD1 2.99Å |
| 101 | N | 83.8 | Confident | 86.4 | Confident | 117 Ų | 117 | 51.7 Ų | 51.7 | 63% | 0.626 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -72.3 | -34.6 | -177.3 | -66.9 | -11.9 | 0 | 0 | 0 | 112 | S97 A98 W99 L103 | S97-N101 PolarHBondContact O-N 3.14Å; S97-N101 VanDerWaalsContact O-N 3.11Å; A98-N101 PolarHBondContact O-N 3.33Å; W99-N101 PolarHBondContact O-N 3.35Å; N101-L103 VanDerWaalsContact C-N 3.33Å |
| 102 | M | 86.5 | Confident | 86.6 | Confident | 109 Ų | 109 | 51.8 Ų | 51.8 | 54% | 0.537 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -80 | -13.9 | 177.2 | -69.4 | -178.2 | 172.6 | 0 | 0 | 113.1 | V91 A98 W99 F104 L105 Y106 | V91-M102 HydrophobicContact CG1-SD 4.49Å; A98-M102 WeakPolarHBondContact O-CB 3.33Å; A98-M102 VanDerWaalsContact O-CG 3.3Å; A98-M102 WeakPolarHBondContact O-CG 3.36Å; A98-M102 PolarHBondContact O-N 3.49Å; W99-M102 PolarHBondContact O-N 3.05Å; M102-F104 VanDerWaalsContact C-N 3.31Å; M102-F104 PolarHBondContact O-N 2.9Å; M102-L105 PolarHBondContact O-N 3.25Å; M102-L105 VanDerWaalsContact O-N 3.13Å; M102-Y106 WeakPolarHBondContact O-CB 3.29Å; M102-Y106 PolarHBondContact O-N 3.16Å |
| 103 | L | 87.1 | Confident | 86.9 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.2 | -40.7 | -171.8 | -159.3 | 82.4 | 0 | 0 | 0 | 112.8 | I58 L88 W99 K100 N101 Y106 W107 F182 | I58-L103 HydrophobicContact CD1-CD1 4.38Å; I58-L103 HydrophobicContact CD1-CD2 3.95Å; L88-L103 HydrophobicContact CD1-CD1 4.09Å; W99-L103 HydrophobicContact CD2-CD1 4.19Å; W99-L103 HydrophobicContact CH2-CD1 4.08Å; W99-L103 HydrophobicContact CZ2-CD1 3.55Å; W99-L103 WeakPolarHBondContact O-CB 3.28Å; W99-L103 PolarHBondContact O-N 2.92Å; K100-L103 WeakPolarHBondContact O-CB 3.31Å; K100-L103 PolarHBondContact O-N 3.4Å; N101-L103 VanDerWaalsContact C-N 3.33Å; L103-Y106 PolarHBondContact O-N 3.22Å; L103-W107 HydrophobicContact CD1-CZ2 4.1Å; L103-W107 HydrophobicContact CG-CZ2 4.36Å; L103-W107 VanDerWaalsContact CG-NE1 3.28Å; L103-W107 PolarHBondContact O-N 3.43Å; L103-F182 HydrophobicContact CD2-CE1 4.45Å |
| 104 | F | 88.5 | Confident | 87.2 | Confident | 105 Ų | 105 | 52.2 Ų | 52.2 | 46% | 0.461 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.9 | -48.6 | 177.2 | -177.9 | -95.5 | 0 | 0 | 0 | 111.6 | M102 Y106 W107 L108 L175 H179 | M102-F104 VanDerWaalsContact C-N 3.31Å; M102-F104 PolarHBondContact O-N 2.9Å; F104-Y106 VanDerWaalsContact C-N 3.32Å; F104-Y106 PolarHBondContact O-N 3.24Å; F104-W107 PolarHBondContact O-N 3.33Å; F104-L108 PolarHBondContact O-N 2.86Å; F104-L108 VanDerWaalsContact O-N 3.11Å; F104-L175 HydrophobicContact CD2-CD2 4.28Å; F104-L175 HydrophobicContact CD2-CG 4.49Å; F104-L175 HydrophobicContact CE2-CD2 3.57Å; F104-L175 HydrophobicContact CE2-CG 4.24Å; F104-L175 HydrophobicContact CZ-CD2 4.22Å; F104-H179 AromaticContact CD2-NE2 3.93Å |
| 105 | L | 89.8 | Confident | 87.6 | Confident | 98 Ų | 98 | 51 Ų | 51 | 51% | 0.513 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.1 | -40 | 177.6 | -177.1 | 64.7 | 0 | 0 | 0 | 111.4 | M102 L108 I109 | M102-L105 PolarHBondContact O-N 3.25Å; M102-L105 VanDerWaalsContact O-N 3.13Å; L105-L108 WeakPolarHBondContact O-CB 3.4Å; L105-L108 PolarHBondContact O-N 3.29Å; L105-I109 HydrophobicContact CD1-CD1 4.33Å; L105-I109 HydrophobicContact CG-CD1 3.93Å; L105-I109 VanDerWaalsContact O-CG1 3.31Å; L105-I109 WeakPolarHBondContact O-CG1 3.45Å; L105-I109 PolarHBondContact O-N 3.07Å |
| 106 | Y | 90.9 | Very high | 87.9 | Confident | 28 Ų | 28 | 50 Ų | 50 | 11% | 0.11 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61 | -47.9 | 177.3 | 175.6 | -90.6 | 0 | 0 | 0 | 111.8 | L65 F84 L88 M102 L103 F104 L108 I109 L110 | L65-Y106 WeakPolarHBondContact CD2-OH 3.23Å; F84-Y106 HydrophobicContact CD1-CE2 4.06Å; F84-Y106 PolarHBondContact O-OH 3.16Å; L88-Y106 HydrophobicContact CB-CE1 4.39Å; L88-Y106 HydrophobicContact CB-CE2 4.32Å; L88-Y106 HydrophobicContact CD1-CD1 3.99Å; L88-Y106 HydrophobicContact CD1-CE1 3.75Å; L88-Y106 HydrophobicContact CD1-CG 4.49Å; L88-Y106 HydrophobicContact CD2-CE1 4.45Å; L88-Y106 HydrophobicContact CG-CE1 4.43Å; M102-Y106 WeakPolarHBondContact O-CB 3.29Å; M102-Y106 PolarHBondContact O-N 3.16Å; L103-Y106 PolarHBondContact O-N 3.22Å; F104-Y106 VanDerWaalsContact C-N 3.32Å; F104-Y106 PolarHBondContact O-N 3.24Å; Y106-L108 VanDerWaalsContact C-N 3.29Å; Y106-L108 PolarHBondContact O-N 2.78Å; Y106-I109 PolarHBondContact O-N 3.1Å; Y106-L110 HydrophobicContact CE1-CD2 3.83Å; Y106-L110 VanDerWaalsContact O-CB 3.29Å; Y106-L110 WeakPolarHBondContact O-CB 3.15Å; Y106-L110 PolarHBondContact O-N 2.99Å |
| 107 | W | 89.5 | Confident | 88.3 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64 | -34.9 | 176.8 | -63 | 130 | 0 | 0 | 0 | 112.4 | I58 V61 L88 L103 F104 L110 A111 V171 L175 | I58-W107 HydrophobicContact CG1-CZ2 4.34Å; V61-W107 HydrophobicContact CB-CH2 4.24Å; V61-W107 HydrophobicContact CG1-CE3 4.11Å; V61-W107 HydrophobicContact CG1-CH2 3.48Å; V61-W107 VanDerWaalsContact CG1-CH2 3.48Å; V61-W107 HydrophobicContact CG1-CZ2 4.22Å; V61-W107 HydrophobicContact CG1-CZ3 3.39Å; L88-W107 HydrophobicContact CD2-CH2 4.23Å; L103-W107 HydrophobicContact CD1-CZ2 4.1Å; L103-W107 HydrophobicContact CG-CZ2 4.36Å; L103-W107 VanDerWaalsContact CG-NE1 3.28Å; L103-W107 PolarHBondContact O-N 3.43Å; F104-W107 PolarHBondContact O-N 3.33Å; W107-L110 HydrophobicContact CE3-CD2 3.83Å; W107-L110 HydrophobicContact CZ3-CD2 3.79Å; W107-L110 PolarHBondContact O-N 2.89Å; W107-A111 VanDerWaalsContact O-CB 3.28Å; W107-A111 WeakPolarHBondContact O-CB 3.42Å; W107-A111 PolarHBondContact O-N 3.1Å; W107-V171 HydrophobicContact CB-CG1 4.09Å; W107-V171 HydrophobicContact CE3-CG1 4.27Å; W107-V171 HydrophobicContact CE3-CG2 4.44Å; W107-L175 HydrophobicContact CB-CD1 3.79Å |
| 108 | L | 90.1 | Very high | 88.6 | Confident | 91 Ų | 91 | 46.5 Ų | 46.5 | 48% | 0.476 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.1 | -47 | 175.7 | -170.7 | 111.2 | 0 | 0 | 0 | 111.7 | F104 L105 Y106 L110 A111 A112 | F104-L108 PolarHBondContact O-N 2.86Å; F104-L108 VanDerWaalsContact O-N 3.11Å; L105-L108 WeakPolarHBondContact O-CB 3.4Å; L105-L108 PolarHBondContact O-N 3.29Å; Y106-L108 VanDerWaalsContact C-N 3.29Å; Y106-L108 PolarHBondContact O-N 2.78Å; L108-L110 VanDerWaalsContact C-N 3.31Å; L108-L110 PolarHBondContact O-N 3.16Å; L108-A111 PolarHBondContact O-N 2.76Å; L108-A112 WeakPolarHBondContact O-CB 3.31Å; L108-A112 PolarHBondContact O-N 3.01Å |
| 109 | I | 91.5 | Very high | 88.9 | Confident | 80 Ų | 80 | 49.5 Ų | 49.5 | 41% | 0.41 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 176.5 | -68.5 | 166.5 | 0 | 0 | 0 | 110.4 | F84 L105 Y106 A112 Y113 | F84-I109 HydrophobicContact CE1-CG2 3.95Å; F84-I109 HydrophobicContact CZ-CG2 4.09Å; L105-I109 HydrophobicContact CD1-CD1 4.33Å; L105-I109 HydrophobicContact CG-CD1 3.93Å; L105-I109 VanDerWaalsContact O-CG1 3.31Å; L105-I109 WeakPolarHBondContact O-CG1 3.45Å; L105-I109 PolarHBondContact O-N 3.07Å; Y106-I109 PolarHBondContact O-N 3.1Å; I109-A112 PolarHBondContact O-N 3.13Å; I109-Y113 WeakPolarHBondContact O-CB 3.46Å; I109-Y113 PolarHBondContact O-N 3.39Å |
| 110 | L | 90.5 | Very high | 89 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.2 | -38.3 | -179.6 | -172 | 59.4 | 0 | 0 | 0 | 112.3 | L65 Y81 F84 Y106 W107 L108 S114 F167 | L65-L110 HydrophobicContact CD1-CD1 4.28Å; L65-L110 HydrophobicContact CD1-CD2 4.33Å; L65-L110 HydrophobicContact CD2-CD2 4.2Å; Y81-L110 HydrophobicContact CD1-CD1 4.17Å; Y81-L110 HydrophobicContact CE1-CD1 4.22Å; F84-L110 HydrophobicContact CB-CD1 4Å; F84-L110 HydrophobicContact CD1-CD1 4.36Å; F84-L110 HydrophobicContact CD2-CD1 3.77Å; F84-L110 HydrophobicContact CE2-CD1 4.31Å; F84-L110 HydrophobicContact CG-CD1 3.8Å; Y106-L110 HydrophobicContact CE1-CD2 3.83Å; Y106-L110 VanDerWaalsContact O-CB 3.29Å; Y106-L110 WeakPolarHBondContact O-CB 3.15Å; Y106-L110 PolarHBondContact O-N 2.99Å; W107-L110 HydrophobicContact CE3-CD2 3.83Å; W107-L110 HydrophobicContact CZ3-CD2 3.79Å; W107-L110 PolarHBondContact O-N 2.89Å; L108-L110 VanDerWaalsContact C-N 3.31Å; L108-L110 PolarHBondContact O-N 3.16Å; L110-S114 WeakPolarHBondContact O-CB 3.35Å; L110-S114 PolarHBondContact O-N 3.11Å; L110-S114 PolarHBondContact O-OG 3.02Å; L110-F167 HydrophobicContact CD1-CE1 3.96Å; L110-F167 HydrophobicContact CD1-CZ 4.34Å; L110-F167 HydrophobicContact CD2-CE1 3.82Å; L110-F167 HydrophobicContact CD2-CZ 3.46Å; L110-F167 VanDerWaalsContact CD2-CZ 3.46Å; L110-F167 HydrophobicContact CG-CE1 3.65Å; L110-F167 HydrophobicContact CG-CZ 3.87Å |
| 111 | A | 90.2 | Very high | 89.1 | Confident | 15 Ų | 15 | 53.2 Ų | 53.2 | 12% | 0.124 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.8 | -46.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111 | W107 L108 Y113 S114 I115 L168 V171 | W107-A111 VanDerWaalsContact O-CB 3.28Å; W107-A111 WeakPolarHBondContact O-CB 3.42Å; W107-A111 PolarHBondContact O-N 3.1Å; L108-A111 PolarHBondContact O-N 2.76Å; A111-Y113 VanDerWaalsContact C-N 3.35Å; A111-Y113 PolarHBondContact O-N 2.72Å; A111-S114 WeakPolarHBondContact CA-OG 3.39Å; A111-S114 PolarHBondContact O-N 3.34Å; A111-S114 PolarHBondContact O-OG 3.02Å; A111-I115 WeakPolarHBondContact O-CG1 3.34Å; A111-I115 PolarHBondContact O-N 2.86Å; A111-L168 HydrophobicContact CB-CD1 4Å; A111-V171 HydrophobicContact CB-CG1 4.24Å |
| 112 | A | 91 | Very high | 89.3 | Confident | 49 Ų | 49 | 53.7 Ų | 53.7 | 41% | 0.405 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.4 | -44.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L108 I109 S114 I115 C116 | L108-A112 WeakPolarHBondContact O-CB 3.31Å; L108-A112 PolarHBondContact O-N 3.01Å; I109-A112 PolarHBondContact O-N 3.13Å; A112-S114 PolarHBondContact O-N 3.25Å; A112-I115 PolarHBondContact O-N 3.43Å; A112-C116 PolarHBondContact O-N 3.01Å; A112-C116 PolarHBondContact O-SG 2.98Å; A112-C116 VanDerWaalsContact O-SG 3.35Å |
| 113 | Y | 91.5 | Very high | 89.4 | Confident | 44 Ų | 44 | 50.5 Ų | 50.5 | 17% | 0.173 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.4 | -45.8 | 175 | 178.3 | -107.1 | 0 | 0 | 0 | 111.8 | Y77 I80 Y81 F84 I109 A111 I115 C116 V117 | Y77-Y113 VanDerWaalsContact CA-OH 3.23Å; Y77-Y113 WeakPolarHBondContact CA-OH 3.23Å; Y77-Y113 VanDerWaalsContact CB-OH 3.27Å; Y77-Y113 WeakPolarHBondContact CB-OH 3.44Å; Y77-Y113 PolarHBondContact O-OH 3.46Å; I80-Y113 HydrophobicContact CB-CE1 4.28Å; I80-Y113 HydrophobicContact CB-CE2 4.4Å; I80-Y113 VanDerWaalsContact CB-OH 3.3Å; I80-Y113 WeakPolarHBondContact CB-OH 3.37Å; I80-Y113 HydrophobicContact CD1-CE2 4.22Å; I80-Y113 WeakPolarHBondContact CD1-OH 3.28Å; I80-Y113 HydrophobicContact CG2-CD1 4.44Å; I80-Y113 HydrophobicContact CG2-CD2 4.37Å; I80-Y113 HydrophobicContact CG2-CE1 3.77Å; I80-Y113 HydrophobicContact CG2-CE2 3.69Å; I80-Y113 WeakPolarHBondContact CG2-OH 3.33Å; Y81-Y113 HydrophobicContact CD1-CD1 4.11Å; Y81-Y113 AromaticContact CD1-CE1 3.93Å; Y81-Y113 HydrophobicContact CD1-CE1 3.93Å; Y81-Y113 HydrophobicContact CD2-CE1 4.28Å; Y81-Y113 AromaticContact CE1-CD1 3.6Å; Y81-Y113 HydrophobicContact CE1-CD1 3.6Å; Y81-Y113 AromaticContact CE1-CE1 3.65Å; Y81-Y113 HydrophobicContact CE1-CE1 3.65Å; Y81-Y113 HydrophobicContact CE2-CE1 4.03Å; Y81-Y113 HydrophobicContact CG-CE1 4.22Å; Y81-Y113 AromaticContact CZ-CD1 3.94Å; Y81-Y113 AromaticContact CZ-CE1 3.7Å; F84-Y113 HydrophobicContact CD2-CD1 4.14Å; F84-Y113 HydrophobicContact CD2-CE1 4.47Å; F84-Y113 AromaticContact CE2-CD1 3.64Å; F84-Y113 HydrophobicContact CE2-CD1 3.64Å; F84-Y113 HydrophobicContact CE2-CD2 4.18Å; F84-Y113 HydrophobicContact CE2-CE1 4.14Å; F84-Y113 AromaticContact CE2-CG 3.67Å; F84-Y113 HydrophobicContact CE2-CG 3.67Å; F84-Y113 HydrophobicContact CZ-CG 4.32Å; I109-Y113 WeakPolarHBondContact O-CB 3.46Å; I109-Y113 PolarHBondContact O-N 3.39Å; A111-Y113 VanDerWaalsContact C-N 3.35Å; A111-Y113 PolarHBondContact O-N 2.72Å; Y113-I115 VanDerWaalsContact C-N 3.29Å; Y113-I115 PolarHBondContact O-N 2.8Å; Y113-C116 WeakPolarHBondContact O-CB 3.45Å; Y113-C116 PolarHBondContact O-N 3.23Å; Y113-C116 VanDerWaalsContact O-N 3.15Å; Y113-V117 HydrophobicContact CD1-CG2 4.25Å; Y113-V117 HydrophobicContact CD2-CG2 4.45Å; Y113-V117 HydrophobicContact CE1-CG2 3.7Å; Y113-V117 HydrophobicContact CE2-CG2 3.92Å; Y113-V117 VanDerWaalsContact CZ-CG2 3.49Å; Y113-V117 WeakPolarHBondContact O-CG2 3.23Å; Y113-V117 PolarHBondContact O-N 3.47Å |
| 114 | S | 89.5 | Confident | 89.4 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.2 | -34 | 177.4 | 67.6 | 0 | 0 | 0 | 0 | 113.4 | Y81 L110 A111 A112 L118 L168 | Y81-S114 WeakPolarHBondContact OH-CA 3.46Å; Y81-S114 WeakPolarHBondContact OH-CB 3.47Å; L110-S114 WeakPolarHBondContact O-CB 3.35Å; L110-S114 PolarHBondContact O-N 3.11Å; L110-S114 PolarHBondContact O-OG 3.02Å; A111-S114 WeakPolarHBondContact CA-OG 3.39Å; A111-S114 PolarHBondContact O-N 3.34Å; A111-S114 PolarHBondContact O-OG 3.02Å; A112-S114 PolarHBondContact O-N 3.25Å; S114-L118 WeakPolarHBondContact O-CB 3.27Å; S114-L118 VanDerWaalsContact O-CG 3.28Å; S114-L118 WeakPolarHBondContact O-CG 3.33Å; S114-L118 PolarHBondContact O-N 3.45Å; S114-L168 WeakPolarHBondContact OG-CD1 3.13Å |
| 115 | I | 91.1 | Very high | 89.4 | Confident | 80 Ų | 80 | 48.4 Ų | 48.4 | 41% | 0.41 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -67.3 | -43 | 173.1 | -66.6 | 164.7 | 0 | 0 | 0 | 110.4 | A111 A112 Y113 L118 L119 L168 | A111-I115 WeakPolarHBondContact O-CG1 3.34Å; A111-I115 PolarHBondContact O-N 2.86Å; A112-I115 PolarHBondContact O-N 3.43Å; Y113-I115 VanDerWaalsContact C-N 3.29Å; Y113-I115 PolarHBondContact O-N 2.8Å; I115-L118 WeakPolarHBondContact O-CB 3.15Å; I115-L118 PolarHBondContact O-N 3.37Å; I115-L119 HydrophobicContact CG2-CD1 4.01Å; I115-L119 HydrophobicContact CG2-CG 4.4Å; I115-L119 VanDerWaalsContact O-CG 3.32Å; I115-L119 WeakPolarHBondContact O-CG 3.31Å; I115-L119 PolarHBondContact O-N 3.38Å; I115-L168 HydrophobicContact CD1-CD1 4.29Å; I115-L168 HydrophobicContact CG1-CD1 4.07Å; I115-L168 HydrophobicContact CG1-CD2 4.06Å |
| 116 | C | 89.9 | Confident | 89.2 | Confident | 57 Ų | 57 | 49 Ų | 49 | 39% | 0.385 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.2 | -43.1 | 176.1 | -66.8 | 0 | 0 | 0 | 0 | 112.5 | A112 Y113 L118 L119 F120 | A112-C116 PolarHBondContact O-N 3.01Å; A112-C116 PolarHBondContact O-SG 2.98Å; A112-C116 VanDerWaalsContact O-SG 3.35Å; Y113-C116 WeakPolarHBondContact O-CB 3.45Å; Y113-C116 PolarHBondContact O-N 3.23Å; Y113-C116 VanDerWaalsContact O-N 3.15Å; C116-L118 VanDerWaalsContact C-N 3.33Å; C116-L118 PolarHBondContact O-N 2.63Å; C116-L119 PolarHBondContact O-N 3.14Å; C116-F120 HydrophobicContact CB-CE2 4.34Å; C116-F120 WeakPolarHBondContact O-CD2 3.42Å; C116-F120 WeakPolarHBondContact O-CG 3.24Å; C116-F120 PolarHBondContact O-N 3.42Å |
| 117 | V | 88.3 | Confident | 88.8 | Confident | 10 Ų | 10 | 57 Ų | 57 | 6% | 0.061 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 175.4 | 174 | 0 | 0 | 0 | 0 | 110.5 | Y77 Y113 L119 F120 V121 | Y77-V117 HydrophobicContact CD1-CG1 4.48Å; Y77-V117 HydrophobicContact CD2-CG1 4.19Å; Y77-V117 HydrophobicContact CG-CG1 4.09Å; Y113-V117 HydrophobicContact CD1-CG2 4.25Å; Y113-V117 HydrophobicContact CD2-CG2 4.45Å; Y113-V117 HydrophobicContact CE1-CG2 3.7Å; Y113-V117 HydrophobicContact CE2-CG2 3.92Å; Y113-V117 VanDerWaalsContact CZ-CG2 3.49Å; Y113-V117 WeakPolarHBondContact O-CG2 3.23Å; Y113-V117 PolarHBondContact O-N 3.47Å; V117-L119 PolarHBondContact O-N 3.33Å; V117-F120 PolarHBondContact O-N 2.88Å; V117-V121 HydrophobicContact CG1-CG2 4.31Å; V117-V121 WeakPolarHBondContact O-CB 3.3Å; V117-V121 WeakPolarHBondContact O-CG2 3.41Å; V117-V121 PolarHBondContact O-N 3.47Å |
| 118 | L | 88.5 | Confident | 88.4 | Confident | 25 Ų | 25 | 58.5 Ų | 58.5 | 13% | 0.131 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.6 | -45.4 | 175.2 | -76.1 | 167.6 | 0 | 0 | 0 | 111.9 | S114 I115 C116 Y122 L161 P164 I165 L168 | S114-L118 WeakPolarHBondContact O-CB 3.27Å; S114-L118 VanDerWaalsContact O-CG 3.28Å; S114-L118 WeakPolarHBondContact O-CG 3.33Å; S114-L118 PolarHBondContact O-N 3.45Å; I115-L118 WeakPolarHBondContact O-CB 3.15Å; I115-L118 PolarHBondContact O-N 3.37Å; C116-L118 VanDerWaalsContact C-N 3.33Å; C116-L118 PolarHBondContact O-N 2.63Å; L118-Y122 WeakPolarHBondContact O-CB 3.48Å; L118-Y122 PolarHBondContact O-N 3.47Å; L118-L161 HydrophobicContact CD2-CD2 3.96Å; L118-P164 HydrophobicContact CD1-CB 4.26Å; L118-P164 HydrophobicContact CD2-CB 3.83Å; L118-P164 HydrophobicContact CD2-CG 4.14Å; L118-P164 HydrophobicContact CG-CB 3.84Å; L118-I165 HydrophobicContact CD1-CG1 3.93Å; L118-I165 HydrophobicContact CD2-CD1 4.38Å; L118-I165 HydrophobicContact CD2-CG1 3.81Å; L118-L168 HydrophobicContact CD1-CD2 4.31Å |
| 119 | L | 89.2 | Confident | 88.2 | Confident | 95 Ų | 95 | 56.3 Ų | 56.3 | 50% | 0.497 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 177.8 | -73.6 | 169 | 0 | 0 | 0 | 111.6 | I115 C116 V117 T123 | I115-L119 HydrophobicContact CG2-CD1 4.01Å; I115-L119 HydrophobicContact CG2-CG 4.4Å; I115-L119 VanDerWaalsContact O-CG 3.32Å; I115-L119 WeakPolarHBondContact O-CG 3.31Å; I115-L119 PolarHBondContact O-N 3.38Å; C116-L119 PolarHBondContact O-N 3.14Å; V117-L119 PolarHBondContact O-N 3.33Å; L119-T123 VanDerWaalsContact O-CB 3.28Å; L119-T123 WeakPolarHBondContact O-CB 3.41Å; L119-T123 WeakPolarHBondContact O-CG2 3.45Å; L119-T123 PolarHBondContact O-N 3.35Å; L119-T123 PolarHBondContact O-OG1 3.35Å |
| 120 | F | 87.8 | Confident | 87.8 | Confident | 104 Ų | 104 | 54.2 Ų | 54.2 | 46% | 0.456 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.9 | -46 | -179.6 | -69.5 | -43.6 | 0 | 0 | 0 | 112.7 | C116 V117 Y122 T123 F124 W133 L149 | C116-F120 HydrophobicContact CB-CE2 4.34Å; C116-F120 WeakPolarHBondContact O-CD2 3.42Å; C116-F120 WeakPolarHBondContact O-CG 3.24Å; C116-F120 PolarHBondContact O-N 3.42Å; V117-F120 PolarHBondContact O-N 2.88Å; F120-Y122 VanDerWaalsContact C-N 3.3Å; F120-Y122 PolarHBondContact O-N 2.96Å; F120-T123 PolarHBondContact O-OG1 2.94Å; F120-F124 WeakPolarHBondContact O-CB 3.43Å; F120-F124 PolarHBondContact O-N 3.44Å; F120-F124 VanDerWaalsContact O-N 3.08Å; F120-W133 HydrophobicContact CD1-CZ2 4.1Å; F120-W133 HydrophobicContact CE1-CH2 4.37Å; F120-W133 HydrophobicContact CE1-CZ2 4.2Å; F120-L149 HydrophobicContact CB-CD2 4.16Å |
| 121 | V | 86.6 | Confident | 87.4 | Confident | 10 Ų | 10 | 61.1 Ų | 61.1 | 6% | 0.061 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.4 | -37.8 | 178.2 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | V117 Q125 Y152 L161 | V117-V121 HydrophobicContact CG1-CG2 4.31Å; V117-V121 WeakPolarHBondContact O-CB 3.3Å; V117-V121 WeakPolarHBondContact O-CG2 3.41Å; V117-V121 PolarHBondContact O-N 3.47Å; V121-Q125 PolarHBondContact O-NE2 3.11Å; V121-Q125 VanDerWaalsContact O-NE2 3.08Å; V121-Y152 HydrophobicContact CG1-CE2 4.24Å; V121-L161 HydrophobicContact CG1-CD2 4.39Å |
| 122 | Y | 87.6 | Confident | 87.2 | Confident | 126 Ų | 126 | 63.8 Ų | 63.8 | 49% | 0.494 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -72.5 | -46.9 | 178.4 | -177 | -104.1 | 0 | 0 | 0 | 112.5 | L118 F120 F124 Q125 F126 L161 | L118-Y122 WeakPolarHBondContact O-CB 3.48Å; L118-Y122 PolarHBondContact O-N 3.47Å; F120-Y122 VanDerWaalsContact C-N 3.3Å; F120-Y122 PolarHBondContact O-N 2.96Å; Y122-F124 VanDerWaalsContact C-N 3.29Å; Y122-F124 PolarHBondContact O-N 2.84Å; Y122-Q125 WeakPolarHBondContact O-CB 3.41Å; Y122-Q125 PolarHBondContact O-N 3.42Å; Y122-F126 HydrophobicContact CD1-CE2 4.35Å; Y122-F126 AromaticContact CE1-CE2 4Å; Y122-F126 HydrophobicContact CE1-CE2 4Å; Y122-F126 HydrophobicContact CE1-CZ 4.07Å; Y122-L161 HydrophobicContact CD2-CD1 4.45Å |
| 123 | T | 87.9 | Confident | 86.9 | Confident | 43 Ų | 43 | 64.1 Ų | 64.1 | 26% | 0.264 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.7 | -32.8 | -179.3 | 51.7 | 0 | 0 | 0 | 0 | 112.1 | L119 F120 Q125 F126 I129 | L119-T123 VanDerWaalsContact O-CB 3.28Å; L119-T123 WeakPolarHBondContact O-CB 3.41Å; L119-T123 WeakPolarHBondContact O-CG2 3.45Å; L119-T123 PolarHBondContact O-N 3.35Å; L119-T123 PolarHBondContact O-OG1 3.35Å; F120-T123 PolarHBondContact O-OG1 2.94Å; T123-Q125 PolarHBondContact O-N 2.82Å; T123-F126 WeakPolarHBondContact O-CD2 3.35Å; T123-F126 PolarHBondContact O-N 3.5Å; T123-F126 VanDerWaalsContact O-N 3.12Å; T123-I129 WeakPolarHBondContact O-CD1 3.31Å |
| 124 | F | 88.1 | Confident | 86.5 | Confident | 9 Ų | 9 | 66.9 Ų | 66.9 | 4% | 0.039 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -12.8 | 177.5 | -157.7 | -100.5 | 0 | 0 | 0 | 114.2 | F120 Y122 I129 P130 W133 L144 L149 T151 | F120-F124 WeakPolarHBondContact O-CB 3.43Å; F120-F124 PolarHBondContact O-N 3.44Å; F120-F124 VanDerWaalsContact O-N 3.08Å; Y122-F124 VanDerWaalsContact C-N 3.29Å; Y122-F124 PolarHBondContact O-N 2.84Å; F124-I129 HydrophobicContact CD2-CG2 4.34Å; F124-P130 HydrophobicContact CD1-CG 4.3Å; F124-P130 HydrophobicContact CE1-CB 4.1Å; F124-P130 HydrophobicContact CE1-CG 3.94Å; F124-P130 HydrophobicContact CE2-CB 4.12Å; F124-P130 HydrophobicContact CE2-CG 4.31Å; F124-P130 HydrophobicContact CZ-CB 3.68Å; F124-P130 HydrophobicContact CZ-CG 3.96Å; F124-W133 AromaticContact CD2-CD1 3.69Å; F124-W133 HydrophobicContact CD2-CG 4.21Å; F124-W133 HydrophobicContact CE2-CB 4Å; F124-W133 AromaticContact CE2-CD1 3.83Å; F124-W133 AromaticContact CE2-CG 3.97Å; F124-W133 HydrophobicContact CE2-CG 3.97Å; F124-L144 HydrophobicContact CE2-CD2 4.23Å; F124-L144 HydrophobicContact CZ-CD2 4.36Å; F124-L149 HydrophobicContact CB-CD2 3.98Å; F124-L149 HydrophobicContact CD1-CB 4.03Å; F124-L149 HydrophobicContact CD2-CB 3.83Å; F124-L149 HydrophobicContact CD2-CD1 4.31Å; F124-L149 HydrophobicContact CD2-CD2 3.95Å; F124-L149 HydrophobicContact CD2-CG 4.24Å; F124-L149 HydrophobicContact CE1-CB 4.01Å; F124-L149 WeakPolarHBondContact CE1-O 3.37Å; F124-L149 HydrophobicContact CE2-CB 3.79Å; F124-L149 HydrophobicContact CE2-CD1 4.34Å; F124-L149 HydrophobicContact CE2-CG 4.49Å; F124-L149 HydrophobicContact CG-CB 3.94Å; F124-L149 HydrophobicContact CG-CD2 4.02Å; F124-L149 HydrophobicContact CZ-CB 3.88Å; F124-T151 HydrophobicContact CD1-CG2 4.48Å; F124-T151 HydrophobicContact CE1-CG2 4.39Å |
| 125 | Q | 87.4 | Confident | 86.3 | Confident | 53 Ų | 53 | 71 Ų | 71 | 25% | 0.248 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -14.8 | 175.3 | -52.8 | -50.5 | -51.5 | 0 | 0 | 113.8 | V121 Y122 T123 V150 L157 | V121-Q125 PolarHBondContact O-NE2 3.11Å; V121-Q125 VanDerWaalsContact O-NE2 3.08Å; Y122-Q125 WeakPolarHBondContact O-CB 3.41Å; Y122-Q125 PolarHBondContact O-N 3.42Å; T123-Q125 PolarHBondContact O-N 2.82Å; Q125-V150 PolarHBondContact NE2-O 3.23Å; Q125-L157 HydrophobicContact CG-CD1 3.72Å; Q125-L157 HydrophobicContact CG-CD2 4.31Å |
| 126 | F | 86.2 | Confident | 86.1 | Confident | 110 Ų | 110 | 76.7 Ų | 76.7 | 48% | 0.482 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -74.3 | 140.5 | 179.2 | -70 | -73.2 | 0 | 0 | 0 | 111.9 | Y122 T123 G128 I129 P130 | Y122-F126 HydrophobicContact CD1-CE2 4.35Å; Y122-F126 AromaticContact CE1-CE2 4Å; Y122-F126 HydrophobicContact CE1-CE2 4Å; Y122-F126 HydrophobicContact CE1-CZ 4.07Å; T123-F126 WeakPolarHBondContact O-CD2 3.35Å; T123-F126 PolarHBondContact O-N 3.5Å; T123-F126 VanDerWaalsContact O-N 3.12Å; F126-G128 PolarHBondContact O-N 3.48Å; F126-I129 HydrophobicContact CB-CD1 3.8Å; F126-I129 HydrophobicContact CB-CG1 3.92Å; F126-I129 HydrophobicContact CD2-CD1 4.16Å; F126-I129 HydrophobicContact CG-CD1 4.41Å; F126-I129 PolarHBondContact O-N 3.2Å; F126-P130 WeakPolarHBondContact O-CD 3.42Å |
| 127 | H | 83.2 | Confident | 85.8 | Confident | 197 Ų | 197 | 75.4 Ų | 75.4 | 91% | 0.912 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 131.6 | 178.7 | -146.5 | -67.7 | 0 | 0 | 0 | 110.9 | I129 | H127-I129 VanDerWaalsContact C-N 3.34Å; H127-I129 PolarHBondContact O-N 3.48Å |
| 128 | G | 81.2 | Confident | 85.5 | Confident | 31 Ų | 31 | 80.2 Ų | 80.2 | 32% | 0.32 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | -17.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | F126 E131 L132 | F126-G128 PolarHBondContact O-N 3.48Å; G128-E131 PolarHBondContact O-N 2.74Å; G128-L132 WeakPolarHBondContact O-CB 3.36Å; G128-L132 PolarHBondContact O-N 3.21Å; G128-L132 VanDerWaalsContact O-N 3.1Å |
| 129 | I | 85.9 | Confident | 85.2 | Confident | 45 Ų | 45 | 84.2 Ų | 84.2 | 23% | 0.231 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -67.5 | -40.1 | 177.1 | -65.4 | -159.4 | 0 | 0 | 0 | 113 | T123 F124 F126 H127 E131 L132 W133 | T123-I129 WeakPolarHBondContact O-CD1 3.31Å; F124-I129 HydrophobicContact CD2-CG2 4.34Å; F126-I129 HydrophobicContact CB-CD1 3.8Å; F126-I129 HydrophobicContact CB-CG1 3.92Å; F126-I129 HydrophobicContact CD2-CD1 4.16Å; F126-I129 HydrophobicContact CG-CD1 4.41Å; F126-I129 PolarHBondContact O-N 3.2Å; H127-I129 VanDerWaalsContact C-N 3.34Å; H127-I129 PolarHBondContact O-N 3.48Å; I129-E131 VanDerWaalsContact C-N 3.3Å; I129-E131 PolarHBondContact O-N 2.83Å; I129-L132 WeakPolarHBondContact O-CB 3.45Å; I129-L132 PolarHBondContact O-N 3.44Å; I129-L132 VanDerWaalsContact O-N 3.13Å; I129-W133 VanDerWaalsContact CG2-CD1 3.49Å; I129-W133 PolarHBondContact O-N 3.47Å |
| 130 | P | 81.4 | Confident | 84.9 | Confident | 36 Ų | 36 | 82.3 Ų | 82.3 | 23% | 0.234 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59 | -38.2 | 175.3 | -27.5 | 35.9 | 0 | 0 | 0 | 113.9 | F124 F126 K134 T151 | F124-P130 HydrophobicContact CD1-CG 4.3Å; F124-P130 HydrophobicContact CE1-CB 4.1Å; F124-P130 HydrophobicContact CE1-CG 3.94Å; F124-P130 HydrophobicContact CE2-CB 4.12Å; F124-P130 HydrophobicContact CE2-CG 4.31Å; F124-P130 HydrophobicContact CZ-CB 3.68Å; F124-P130 HydrophobicContact CZ-CG 3.96Å; F126-P130 WeakPolarHBondContact O-CD 3.42Å; P130-K134 WeakPolarHBondContact O-CB 3.25Å; P130-K134 PolarHBondContact O-N 2.92Å; P130-T151 HydrophobicContact CG-CG2 4.13Å |
| 131 | E | 82.8 | Confident | 84.6 | Confident | 145 Ų | 145 | 82 Ų | 82 | 68% | 0.678 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -69.1 | -37.3 | 175.9 | -64.5 | 176 | 179.5 | 0 | 0 | 111.4 | G128 I129 K134 S135 | G128-E131 PolarHBondContact O-N 2.74Å; I129-E131 VanDerWaalsContact C-N 3.3Å; I129-E131 PolarHBondContact O-N 2.83Å; E131-K134 PolarHBondContact O-N 3.1Å; E131-S135 WeakPolarHBondContact O-CB 3.25Å; E131-S135 PolarHBondContact O-N 3.28Å; E131-S135 PolarHBondContact O-OG 3.13Å |
| 132 | L | 85.1 | Confident | 84.3 | Confident | 70 Ų | 70 | 85.7 Ų | 85.7 | 37% | 0.366 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 175.3 | -166 | 145 | 0 | 0 | 0 | 111.6 | G128 I129 K134 S135 W136 | G128-L132 WeakPolarHBondContact O-CB 3.36Å; G128-L132 PolarHBondContact O-N 3.21Å; G128-L132 VanDerWaalsContact O-N 3.1Å; I129-L132 WeakPolarHBondContact O-CB 3.45Å; I129-L132 PolarHBondContact O-N 3.44Å; I129-L132 VanDerWaalsContact O-N 3.13Å; L132-K134 PolarHBondContact O-N 3.39Å; L132-S135 PolarHBondContact O-N 3.42Å; L132-S135 PolarHBondContact O-OG 3.19Å; L132-W136 HydrophobicContact CD2-CD2 3.54Å; L132-W136 HydrophobicContact CD2-CE3 3.59Å; L132-W136 HydrophobicContact CD2-CG 4.25Å; L132-W136 HydrophobicContact CD2-CH2 3.75Å; L132-W136 HydrophobicContact CD2-CZ2 3.7Å; L132-W136 HydrophobicContact CD2-CZ3 3.69Å; L132-W136 HydrophobicContact CG-CD2 4.38Å; L132-W136 HydrophobicContact CG-CZ2 4.36Å; L132-W136 WeakPolarHBondContact O-CB 3.37Å; L132-W136 PolarHBondContact O-N 3.46Å |
| 133 | W | 84.9 | Confident | 84.1 | Confident | 56 Ų | 56 | 81.9 Ų | 81.9 | 21% | 0.212 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -61.3 | -45.3 | 172.9 | -84.8 | 93.1 | 0 | 0 | 0 | 111.9 | F120 F124 I129 S135 W136 T137 L144 L149 | F120-W133 HydrophobicContact CD1-CZ2 4.1Å; F120-W133 HydrophobicContact CE1-CH2 4.37Å; F120-W133 HydrophobicContact CE1-CZ2 4.2Å; F124-W133 AromaticContact CD2-CD1 3.69Å; F124-W133 HydrophobicContact CD2-CG 4.21Å; F124-W133 HydrophobicContact CE2-CB 4Å; F124-W133 AromaticContact CE2-CD1 3.83Å; F124-W133 AromaticContact CE2-CG 3.97Å; F124-W133 HydrophobicContact CE2-CG 3.97Å; I129-W133 VanDerWaalsContact CG2-CD1 3.49Å; I129-W133 PolarHBondContact O-N 3.47Å; W133-S135 VanDerWaalsContact C-N 3.31Å; W133-S135 PolarHBondContact O-N 2.82Å; W133-W136 PolarHBondContact O-N 2.85Å; W133-T137 HydrophobicContact CE3-CG2 3.81Å; W133-T137 HydrophobicContact CZ3-CG2 4.12Å; W133-T137 PolarHBondContact O-N 3.26Å; W133-T137 PolarHBondContact O-OG1 3.21Å; W133-L144 HydrophobicContact CB-CD2 4.2Å; W133-L149 HydrophobicContact CD2-CD1 4.21Å; W133-L149 HydrophobicContact CE3-CD1 4.21Å; W133-L149 HydrophobicContact CZ3-CD1 4.46Å |
| 134 | K | 83.4 | Confident | 83.9 | Confident | 102 Ų | 102 | 80.1 Ų | 80.1 | 44% | 0.443 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.1 | -40.1 | 178.3 | -172.9 | 172.9 | -178.2 | 167.9 | 0 | 112.3 | P130 E131 L132 S138 N141 L144 | P130-K134 WeakPolarHBondContact O-CB 3.25Å; P130-K134 PolarHBondContact O-N 2.92Å; E131-K134 PolarHBondContact O-N 3.1Å; L132-K134 PolarHBondContact O-N 3.39Å; K134-S138 WeakPolarHBondContact O-CA 3.48Å; K134-S138 PolarHBondContact O-N 2.88Å; K134-S138 VanDerWaalsContact O-N 3.1Å; K134-N141 PolarHBondContact NZ-OD1 2.97Å; K134-L144 HydrophobicContact CB-CD1 4.5Å |
| 135 | S | 86.2 | Confident | 83.7 | Confident | 87 Ų | 87 | 83.1 Ų | 83.1 | 61% | 0.608 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -72.7 | -37.3 | 176.9 | 66.3 | 0 | 0 | 0 | 0 | 113.2 | E131 L132 W133 | E131-S135 WeakPolarHBondContact O-CB 3.25Å; E131-S135 PolarHBondContact O-N 3.28Å; E131-S135 PolarHBondContact O-OG 3.13Å; L132-S135 PolarHBondContact O-N 3.42Å; L132-S135 PolarHBondContact O-OG 3.19Å; W133-S135 VanDerWaalsContact C-N 3.31Å; W133-S135 PolarHBondContact O-N 2.82Å |
| 136 | W | 87.2 | Confident | 83.5 | Confident | 199 Ų | 199 | 81.2 Ų | 81.2 | 75% | 0.754 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -75.1 | -41.1 | -179.2 | -79 | 7 | 0 | 0 | 0 | 113.5 | L132 W133 | L132-W136 HydrophobicContact CD2-CD2 3.54Å; L132-W136 HydrophobicContact CD2-CE3 3.59Å; L132-W136 HydrophobicContact CD2-CG 4.25Å; L132-W136 HydrophobicContact CD2-CH2 3.75Å; L132-W136 HydrophobicContact CD2-CZ2 3.7Å; L132-W136 HydrophobicContact CD2-CZ3 3.69Å; L132-W136 HydrophobicContact CG-CD2 4.38Å; L132-W136 HydrophobicContact CG-CZ2 4.36Å; L132-W136 WeakPolarHBondContact O-CB 3.37Å; L132-W136 PolarHBondContact O-N 3.46Å; W133-W136 PolarHBondContact O-N 2.85Å |
| 137 | T | 82.8 | Confident | 83.4 | Confident | 31 Ų | 31 | 78.4 Ų | 78.4 | 19% | 0.19 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -98.3 | -13.5 | -174.7 | 63.6 | 0 | 0 | 0 | 0 | 113.6 | W133 W139 | W133-T137 HydrophobicContact CE3-CG2 3.81Å; W133-T137 HydrophobicContact CZ3-CG2 4.12Å; W133-T137 PolarHBondContact O-N 3.26Å; W133-T137 PolarHBondContact O-OG1 3.21Å; T137-W139 HydrophobicContact CG2-CD2 4.26Å; T137-W139 HydrophobicContact CG2-CE3 4.39Å; T137-W139 PolarHBondContact O-N 3.35Å; T137-W139 VanDerWaalsContact OG1-CB 3.31Å; T137-W139 WeakPolarHBondContact OG1-CB 3.41Å; T137-W139 PolarHBondContact OG1-N 3.43Å |
| 138 | S | 82.2 | Confident | 83.4 | Confident | 111 Ų | 111 | 69 Ų | 69 | 78% | 0.776 | 36% | 0.362 | S | S | * | . | trans | 55.7 | 22.8 | -170.7 | 66.4 | 0 | 0 | 0 | 0 | 114 | K134 | K134-S138 WeakPolarHBondContact O-CA 3.48Å; K134-S138 PolarHBondContact O-N 2.88Å; K134-S138 VanDerWaalsContact O-N 3.1Å | ||
| 139 | W | 82.7 | Confident | 83.5 | Confident | 109 Ų | 109 | 68 Ų | 68 | 41% | 0.413 | 35% | 0.349 | S | S | . | . | trans | -77.7 | 145 | -178.7 | -72.9 | -0.8 | 0 | 0 | 0 | 112 | T137 T143 L144 V147 | T137-W139 HydrophobicContact CG2-CD2 4.26Å; T137-W139 HydrophobicContact CG2-CE3 4.39Å; T137-W139 PolarHBondContact O-N 3.35Å; T137-W139 VanDerWaalsContact OG1-CB 3.31Å; T137-W139 WeakPolarHBondContact OG1-CB 3.41Å; T137-W139 PolarHBondContact OG1-N 3.43Å; W139-T143 WeakPolarHBondContact CB-OG1 3.3Å; W139-L144 HydrophobicContact CB-CG 4.2Å; W139-L144 HydrophobicContact CE3-CD2 4.25Å; W139-V147 HydrophobicContact CE3-CG2 4.36Å; W139-V147 HydrophobicContact CH2-CG2 4.36Å; W139-V147 HydrophobicContact CZ3-CG2 3.78Å | ||
| 140 | S | 82.9 | Confident | 83.4 | Confident | 55 Ų | 55 | 67.5 Ų | 67.5 | 39% | 0.385 | 35% | 0.348 | S | S | . | . | trans | -69.8 | 157.5 | 172.5 | 78.5 | 0 | 0 | 0 | 0 | 110.1 | E142 T143 L144 | S140-E142 PolarHBondContact O-N 3.46Å; S140-E142 PolarHBondContact OG-N 2.83Å; S140-T143 PolarHBondContact N-OG1 3.33Å; S140-T143 PolarHBondContact O-N 2.94Å; S140-T143 VanDerWaalsContact O-N 3.12Å; S140-T143 PolarHBondContact O-OG1 2.76Å; S140-T143 PolarHBondContact OG-N 2.89Å; S140-T143 VanDerWaalsContact OG-N 3.16Å; S140-T143 PolarHBondContact OG-OG1 3.24Å; S140-L144 PolarHBondContact O-N 3.43Å | ||
| 141 | N | 81.2 | Confident | 83.5 | Confident | 97 Ų | 97 | 70.2 Ų | 70.2 | 52% | 0.519 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.2 | -34 | 174.9 | -73.2 | 13.6 | 0 | 0 | 0 | 111 | K134 L144 I145 | K134-N141 PolarHBondContact NZ-OD1 2.97Å; N141-L144 PolarHBondContact O-N 2.85Å; N141-I145 WeakPolarHBondContact O-CD1 3.43Å; N141-I145 VanDerWaalsContact O-CG1 3.25Å; N141-I145 WeakPolarHBondContact O-CG1 3.29Å; N141-I145 PolarHBondContact O-N 3.11Å; N141-I145 VanDerWaalsContact O-N 3.09Å |
| 142 | E | 80.6 | Confident | 83.5 | Confident | 88 Ų | 88 | 65.1 Ų | 65.1 | 41% | 0.411 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 175.7 | -64.7 | -178.4 | 170 | 0 | 0 | 111.8 | S140 L144 I145 D146 K300 | S140-E142 PolarHBondContact O-N 3.46Å; S140-E142 PolarHBondContact OG-N 2.83Å; E142-L144 VanDerWaalsContact C-N 3.34Å; E142-L144 PolarHBondContact O-N 2.87Å; E142-I145 WeakPolarHBondContact O-CB 3.34Å; E142-I145 PolarHBondContact O-N 3.23Å; E142-D146 PolarHBondContact O-N 2.94Å; E142-K300 VanDerWaalsContact CD-NZ 3.28Å; E142-K300 IonicContact OE1-NZ 3.68Å; E142-K300 PolarHBondContact OE1-NZ 3.31Å; E142-K300 WeakPolarHBondContact OE2-CE 3.45Å; E142-K300 IonicContact OE2-NZ 2.83Å; E142-K300 PolarHBondContact OE2-NZ 3.43Å |
| 143 | T | 82.1 | Confident | 83.4 | Confident | 45 Ų | 45 | 67.7 Ų | 67.7 | 28% | 0.276 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -70 | -31.1 | 178.7 | 50 | 0 | 0 | 0 | 0 | 112.8 | W139 S140 D146 V147 | W139-T143 WeakPolarHBondContact CB-OG1 3.3Å; S140-T143 PolarHBondContact N-OG1 3.33Å; S140-T143 PolarHBondContact O-N 2.94Å; S140-T143 VanDerWaalsContact O-N 3.12Å; S140-T143 PolarHBondContact O-OG1 2.76Å; S140-T143 PolarHBondContact OG-N 2.89Å; S140-T143 VanDerWaalsContact OG-N 3.16Å; S140-T143 PolarHBondContact OG-OG1 3.24Å; T143-D146 PolarHBondContact O-N 3.47Å; T143-V147 WeakPolarHBondContact O-CG2 3.43Å; T143-V147 PolarHBondContact O-N 3.19Å |
| 144 | L | 85 | Confident | 83.2 | Confident | 7 Ų | 7 | 69.4 Ų | 69.4 | 4% | 0.037 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 172.3 | -80.2 | 157.2 | 0 | 0 | 0 | 111.1 | F124 W133 K134 W139 S140 N141 E142 V147 G148 L149 | F124-L144 HydrophobicContact CE2-CD2 4.23Å; F124-L144 HydrophobicContact CZ-CD2 4.36Å; W133-L144 HydrophobicContact CB-CD2 4.2Å; K134-L144 HydrophobicContact CB-CD1 4.5Å; W139-L144 HydrophobicContact CB-CG 4.2Å; W139-L144 HydrophobicContact CE3-CD2 4.25Å; S140-L144 PolarHBondContact O-N 3.43Å; N141-L144 PolarHBondContact O-N 2.85Å; E142-L144 VanDerWaalsContact C-N 3.34Å; E142-L144 PolarHBondContact O-N 2.87Å; L144-V147 PolarHBondContact O-N 3.42Å; L144-G148 PolarHBondContact O-N 2.99Å; L144-L149 HydrophobicContact CD2-CB 4.28Å; L144-L149 HydrophobicContact CD2-CD1 3.94Å; L144-L149 PolarHBondContact O-N 2.93Å |
| 145 | I | 83.8 | Confident | 83.1 | Confident | 72 Ų | 72 | 66.8 Ų | 66.8 | 37% | 0.369 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 173.9 | -67.4 | 162.3 | 0 | 0 | 0 | 110.7 | F75 N141 E142 V147 G148 V150 | F75-I145 WeakPolarHBondContact CD1-O 3.3Å; F75-I145 VanDerWaalsContact CE1-O 3.31Å; F75-I145 WeakPolarHBondContact CE1-O 3.48Å; N141-I145 WeakPolarHBondContact O-CD1 3.43Å; N141-I145 VanDerWaalsContact O-CG1 3.25Å; N141-I145 WeakPolarHBondContact O-CG1 3.29Å; N141-I145 PolarHBondContact O-N 3.11Å; N141-I145 VanDerWaalsContact O-N 3.09Å; E142-I145 WeakPolarHBondContact O-CB 3.34Å; E142-I145 PolarHBondContact O-N 3.23Å; I145-V147 VanDerWaalsContact C-N 3.28Å; I145-V147 PolarHBondContact O-N 3.45Å; I145-G148 WeakPolarHBondContact O-CA 3.18Å; I145-G148 PolarHBondContact O-N 3.37Å; I145-V150 HydrophobicContact CB-CG2 4.23Å; I145-V150 HydrophobicContact CG1-CG2 4.03Å; I145-V150 HydrophobicContact CG2-CG2 4.16Å |
| 146 | D | 83.5 | Confident | 82.7 | Confident | 13 Ų | 13 | 65 Ų | 65 | 7% | 0.07 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.3 | -35.4 | 177.9 | -80 | -15.7 | 0 | 0 | 0 | 113.2 | F75 A76 E142 T143 G148 L296 H297 F298 | F75-D146 WeakPolarHBondContact CA-O 3.24Å; A76-D146 PolarHBondContact N-O 3.01Å; E142-D146 PolarHBondContact O-N 2.94Å; T143-D146 PolarHBondContact O-N 3.47Å; D146-G148 PolarHBondContact O-N 3.43Å; D146-L296 HydrophobicContact CB-CB 4.49Å; D146-L296 HydrophobicContact CB-CD2 3.99Å; D146-H297 VanDerWaalsContact CG-N 3.3Å; D146-H297 VanDerWaalsContact OD1-CB 3.29Å; D146-H297 WeakPolarHBondContact OD1-CB 3.5Å; D146-H297 IonicContact OD1-CD2 2.74Å; D146-H297 IonicContact OD1-CG 3.84Å; D146-H297 PolarHBondContact OD1-N 3.4Å; D146-H297 PolarHBondContact OD2-N 2.72Å; D146-H297 VanDerWaalsContact OD2-N 3.1Å; D146-F298 PolarHBondContact OD2-N 3Å |
| 147 | V | 84.4 | Confident | 82.4 | Confident | 50 Ų | 50 | 57.2 Ų | 57.2 | 30% | 0.303 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -70.2 | -24.2 | 175.3 | 175.1 | 0 | 0 | 0 | 0 | 111.7 | Y77 W139 T143 L144 I145 L149 | Y77-V147 WeakPolarHBondContact CD1-O 3.41Å; W139-V147 HydrophobicContact CE3-CG2 4.36Å; W139-V147 HydrophobicContact CH2-CG2 4.36Å; W139-V147 HydrophobicContact CZ3-CG2 3.78Å; T143-V147 WeakPolarHBondContact O-CG2 3.43Å; T143-V147 PolarHBondContact O-N 3.19Å; L144-V147 PolarHBondContact O-N 3.42Å; I145-V147 VanDerWaalsContact C-N 3.28Å; I145-V147 PolarHBondContact O-N 3.45Å; V147-L149 HydrophobicContact CG1-CD1 4.15Å; V147-L149 HydrophobicContact CG1-CG 4.13Å |
| 148 | G | 81.8 | Confident | 82.4 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.01 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.1 | 11.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L144 I145 D146 V150 | L144-G148 PolarHBondContact O-N 2.99Å; I145-G148 WeakPolarHBondContact O-CA 3.18Å; I145-G148 PolarHBondContact O-N 3.37Å; D146-G148 PolarHBondContact O-N 3.43Å; G148-V150 PolarHBondContact O-N 2.89Å |
| 149 | L | 84.7 | Confident | 82.2 | Confident | 9 Ų | 9 | 61.2 Ų | 61.2 | 5% | 0.047 | 34% | 0.341 | C | S | . | . | trans | -86.4 | 86.5 | 174.5 | -66.2 | 173.9 | 0 | 0 | 0 | 108.9 | F120 F124 W133 L144 V147 | F120-L149 HydrophobicContact CB-CD2 4.16Å; F124-L149 HydrophobicContact CB-CD2 3.98Å; F124-L149 HydrophobicContact CD1-CB 4.03Å; F124-L149 HydrophobicContact CD2-CB 3.83Å; F124-L149 HydrophobicContact CD2-CD1 4.31Å; F124-L149 HydrophobicContact CD2-CD2 3.95Å; F124-L149 HydrophobicContact CD2-CG 4.24Å; F124-L149 HydrophobicContact CE1-CB 4.01Å; F124-L149 WeakPolarHBondContact CE1-O 3.37Å; F124-L149 HydrophobicContact CE2-CB 3.79Å; F124-L149 HydrophobicContact CE2-CD1 4.34Å; F124-L149 HydrophobicContact CE2-CG 4.49Å; F124-L149 HydrophobicContact CG-CB 3.94Å; F124-L149 HydrophobicContact CG-CD2 4.02Å; F124-L149 HydrophobicContact CZ-CB 3.88Å; W133-L149 HydrophobicContact CD2-CD1 4.21Å; W133-L149 HydrophobicContact CE3-CD1 4.21Å; W133-L149 HydrophobicContact CZ3-CD1 4.46Å; L144-L149 HydrophobicContact CD2-CB 4.28Å; L144-L149 HydrophobicContact CD2-CD1 3.94Å; L144-L149 PolarHBondContact O-N 2.93Å; V147-L149 HydrophobicContact CG1-CD1 4.15Å; V147-L149 HydrophobicContact CG1-CG 4.13Å | ||
| 150 | V | 83 | Confident | 82 | Confident | 34 Ų | 34 | 57.7 Ų | 57.7 | 21% | 0.206 | 33% | 0.329 | C | S | . | . | trans | -126.7 | 144.6 | -177.8 | -175.5 | 0 | 0 | 0 | 0 | 109.3 | F75 Q125 I145 G148 Y152 | F75-V150 HydrophobicContact CE1-CG2 4.43Å; Q125-V150 PolarHBondContact NE2-O 3.23Å; I145-V150 HydrophobicContact CB-CG2 4.23Å; I145-V150 HydrophobicContact CG1-CG2 4.03Å; I145-V150 HydrophobicContact CG2-CG2 4.16Å; G148-V150 PolarHBondContact O-N 2.89Å; V150-Y152 HydrophobicContact CB-CE1 3.96Å; V150-Y152 HydrophobicContact CB-CE2 4.05Å; V150-Y152 HydrophobicContact CG1-CE1 4.06Å; V150-Y152 VanDerWaalsContact O-CD2 3.24Å; V150-Y152 WeakPolarHBondContact O-CD2 3.35Å; V150-Y152 VanDerWaalsContact O-CE2 3.28Å; V150-Y152 WeakPolarHBondContact O-CE2 3.41Å | ||
| 151 | T | 83.9 | Confident | 82 | Confident | 94 Ų | 94 | 56.5 Ų | 56.5 | 58% | 0.577 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -79.3 | 119.2 | 170.5 | 50.9 | 0 | 0 | 0 | 0 | 109.2 | F124 P130 | F124-T151 HydrophobicContact CD1-CG2 4.48Å; F124-T151 HydrophobicContact CE1-CG2 4.39Å; P130-T151 HydrophobicContact CG-CG2 4.13Å |
| 152 | Y | 82.8 | Confident | 82.2 | Confident | 38 Ų | 38 | 55.7 Ų | 55.7 | 15% | 0.149 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -103.4 | 147.6 | -172.9 | -70.4 | -64.9 | 0 | 0 | 0 | 112.3 | F75 V121 V150 S156 L157 Q160 | F75-Y152 WeakPolarHBondContact CZ-OH 3.3Å; V121-Y152 HydrophobicContact CG1-CE2 4.24Å; V150-Y152 HydrophobicContact CB-CE1 3.96Å; V150-Y152 HydrophobicContact CB-CE2 4.05Å; V150-Y152 HydrophobicContact CG1-CE1 4.06Å; V150-Y152 VanDerWaalsContact O-CD2 3.24Å; V150-Y152 WeakPolarHBondContact O-CD2 3.35Å; V150-Y152 VanDerWaalsContact O-CE2 3.28Å; V150-Y152 WeakPolarHBondContact O-CE2 3.41Å; Y152-S156 WeakPolarHBondContact CB-OG 3.47Å; Y152-L157 HydrophobicContact CD2-CD1 4.17Å; Y152-Q160 VanDerWaalsContact CE1-CD 3.4Å; Y152-Q160 VanDerWaalsContact OH-CD 3.31Å; Y152-Q160 PolarHBondContact OH-NE2 3.24Å; Y152-Q160 PolarHBondContact OH-OE1 3.24Å |
| 153 | D | 81.7 | Confident | 82.2 | Confident | 123 Ų | 123 | 52.4 Ų | 52.4 | 66% | 0.658 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 148.8 | 164.2 | -173.4 | 17.2 | 0 | 0 | 0 | 109.9 | G155 S156 L157 | D153-G155 VanDerWaalsContact C-N 3.27Å; D153-G155 PolarHBondContact O-N 3.46Å; D153-S156 PolarHBondContact N-OG 3.46Å; D153-S156 VanDerWaalsContact N-OG 3.16Å; D153-S156 PolarHBondContact O-N 2.89Å; D153-S156 PolarHBondContact O-OG 3.11Å; D153-L157 PolarHBondContact O-N 2.99Å |
| 154 | S | 81.3 | Confident | 82.2 | Confident | 92 Ų | 92 | 50.7 Ų | 50.7 | 64% | 0.643 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -43.2 | -44 | -172.6 | 56.1 | 0 | 0 | 0 | 0 | 114.7 | F158 | S154-F158 PolarHBondContact O-N 3.48Å |
| 155 | G | 80.4 | Confident | 82.4 | Confident | 48 Ų | 48 | 53.7 Ų | 53.7 | 50% | 0.495 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -71.7 | -41.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | D153 F158 L159 | D153-G155 VanDerWaalsContact C-N 3.27Å; D153-G155 PolarHBondContact O-N 3.46Å; G155-F158 PolarHBondContact O-N 3.21Å; G155-L159 PolarHBondContact O-N 3.26Å |
| 156 | S | 78.8 | Confident | 82.5 | Confident | 49 Ų | 49 | 52.5 Ų | 52.5 | 34% | 0.343 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -70.2 | -36.5 | 177.5 | 64.7 | 0 | 0 | 0 | 0 | 111.9 | Y152 D153 F158 L159 Q160 | Y152-S156 WeakPolarHBondContact CB-OG 3.47Å; D153-S156 PolarHBondContact N-OG 3.46Å; D153-S156 VanDerWaalsContact N-OG 3.16Å; D153-S156 PolarHBondContact O-N 2.89Å; D153-S156 PolarHBondContact O-OG 3.11Å; S156-F158 PolarHBondContact O-N 2.87Å; S156-L159 PolarHBondContact O-N 3.18Å; S156-Q160 WeakPolarHBondContact O-CB 3.12Å; S156-Q160 WeakPolarHBondContact O-CG 3.47Å; S156-Q160 PolarHBondContact O-N 3.4Å |
| 157 | L | 81.2 | Confident | 82.6 | Confident | 35 Ų | 35 | 51.9 Ų | 51.9 | 18% | 0.183 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.9 | -46.5 | 174.2 | -177.3 | 66.1 | 0 | 0 | 0 | 111 | Q125 Y152 D153 L159 Q160 L161 | Q125-L157 HydrophobicContact CG-CD1 3.72Å; Q125-L157 HydrophobicContact CG-CD2 4.31Å; Y152-L157 HydrophobicContact CD2-CD1 4.17Å; D153-L157 PolarHBondContact O-N 2.99Å; L157-L159 PolarHBondContact O-N 3.31Å; L157-Q160 PolarHBondContact O-N 3.44Å; L157-L161 HydrophobicContact CD1-CD1 3.91Å; L157-L161 HydrophobicContact CD1-CG 4.17Å; L157-L161 HydrophobicContact CD2-CD1 4.39Å; L157-L161 HydrophobicContact CG-CD1 3.76Å; L157-L161 HydrophobicContact CG-CG 4.38Å; L157-L161 WeakPolarHBondContact O-CB 3.22Å; L157-L161 WeakPolarHBondContact O-CG 3.42Å; L157-L161 PolarHBondContact O-N 3.15Å |
| 158 | F | 83.1 | Confident | 82.9 | Confident | 136 Ų | 136 | 50.8 Ų | 50.8 | 60% | 0.596 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -59.5 | -46 | 178.2 | -178.7 | -100 | 0 | 0 | 0 | 111.9 | S154 G155 S156 Q160 L161 L162 | S154-F158 PolarHBondContact O-N 3.48Å; G155-F158 PolarHBondContact O-N 3.21Å; S156-F158 PolarHBondContact O-N 2.87Å; F158-Q160 VanDerWaalsContact C-N 3.32Å; F158-Q160 PolarHBondContact O-N 3.48Å; F158-L161 PolarHBondContact O-N 3.01Å; F158-L162 HydrophobicContact CE1-CD2 4.05Å; F158-L162 HydrophobicContact CZ-CD2 4.49Å; F158-L162 WeakPolarHBondContact O-CB 3.31Å; F158-L162 PolarHBondContact O-N 2.81Å |
| 159 | L | 77.1 | Confident | 83.3 | Confident | 91 Ų | 91 | 55.1 Ų | 55.1 | 48% | 0.476 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.3 | -38.3 | -179.2 | -153 | 89.7 | 0 | 0 | 0 | 112.2 | G155 S156 L157 T163 | G155-L159 PolarHBondContact O-N 3.26Å; S156-L159 PolarHBondContact O-N 3.18Å; L157-L159 PolarHBondContact O-N 3.31Å; L159-T163 PolarHBondContact O-N 3Å; L159-T163 PolarHBondContact O-OG1 3.47Å |
| 160 | Q | 77.9 | Confident | 83.6 | Confident | 35 Ų | 35 | 55.8 Ų | 55.8 | 16% | 0.164 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -74.3 | -37.1 | 178.8 | -72.7 | -153.6 | 11.9 | 0 | 0 | 113.3 | Y152 S156 L157 F158 P164 | Y152-Q160 VanDerWaalsContact CE1-CD 3.4Å; Y152-Q160 VanDerWaalsContact OH-CD 3.31Å; Y152-Q160 PolarHBondContact OH-NE2 3.24Å; Y152-Q160 PolarHBondContact OH-OE1 3.24Å; S156-Q160 WeakPolarHBondContact O-CB 3.12Å; S156-Q160 WeakPolarHBondContact O-CG 3.47Å; S156-Q160 PolarHBondContact O-N 3.4Å; L157-Q160 PolarHBondContact O-N 3.44Å; F158-Q160 VanDerWaalsContact C-N 3.32Å; F158-Q160 PolarHBondContact O-N 3.48Å; Q160-P164 WeakPolarHBondContact O-CD 3.44Å |
| 161 | L | 84.1 | Confident | 83.9 | Confident | 30 Ų | 30 | 54.2 Ų | 54.2 | 16% | 0.157 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -71.8 | -39.1 | 173.7 | -71.2 | 171.4 | 0 | 0 | 0 | 111.8 | L118 V121 Y122 L157 F158 T163 P164 I165 | L118-L161 HydrophobicContact CD2-CD2 3.96Å; V121-L161 HydrophobicContact CG1-CD2 4.39Å; Y122-L161 HydrophobicContact CD2-CD1 4.45Å; L157-L161 HydrophobicContact CD1-CD1 3.91Å; L157-L161 HydrophobicContact CD1-CG 4.17Å; L157-L161 HydrophobicContact CD2-CD1 4.39Å; L157-L161 HydrophobicContact CG-CD1 3.76Å; L157-L161 HydrophobicContact CG-CG 4.38Å; L157-L161 WeakPolarHBondContact O-CB 3.22Å; L157-L161 WeakPolarHBondContact O-CG 3.42Å; L157-L161 PolarHBondContact O-N 3.15Å; F158-L161 PolarHBondContact O-N 3.01Å; L161-T163 PolarHBondContact O-N 3.4Å; L161-P164 WeakPolarHBondContact O-CD 3.41Å; L161-I165 HydrophobicContact CB-CD1 4.2Å; L161-I165 WeakPolarHBondContact O-CB 3.34Å; L161-I165 VanDerWaalsContact O-CD1 3.28Å; L161-I165 WeakPolarHBondContact O-CD1 3.34Å; L161-I165 WeakPolarHBondContact O-CG1 3.37Å; L161-I165 PolarHBondContact O-N 3.45Å; L161-I165 VanDerWaalsContact O-N 3.16Å |
| 162 | L | 84.7 | Confident | 84.1 | Confident | 79 Ų | 79 | 53.8 Ų | 53.8 | 41% | 0.414 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.8 | -33.2 | -179.7 | -176.8 | 66.7 | 0 | 0 | 0 | 112 | F158 I165 S166 | F158-L162 HydrophobicContact CE1-CD2 4.05Å; F158-L162 HydrophobicContact CZ-CD2 4.49Å; F158-L162 WeakPolarHBondContact O-CB 3.31Å; F158-L162 PolarHBondContact O-N 2.81Å; L162-I165 PolarHBondContact O-N 3.19Å; L162-S166 VanDerWaalsContact O-CB 3.22Å; L162-S166 WeakPolarHBondContact O-CB 3.33Å; L162-S166 PolarHBondContact O-N 3.24Å; L162-S166 PolarHBondContact O-OG 3.28Å |
| 163 | T | 81.1 | Confident | 84.4 | Confident | 20 Ų | 20 | 54.7 Ų | 54.7 | 12% | 0.123 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.6 | -57 | -174.5 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | I68 R71 L159 L161 I165 S166 F167 | I68-T163 HydrophobicContact CD1-CG2 4.24Å; I68-T163 HydrophobicContact CG1-CG2 3.79Å; I68-T163 HydrophobicContact CG2-CG2 4.36Å; R71-T163 PolarHBondContact NH1-OG1 3.4Å; L159-T163 PolarHBondContact O-N 3Å; L159-T163 PolarHBondContact O-OG1 3.47Å; L161-T163 PolarHBondContact O-N 3.4Å; T163-I165 VanDerWaalsContact C-N 3.33Å; T163-I165 PolarHBondContact O-N 2.91Å; T163-S166 PolarHBondContact O-N 3.34Å; T163-S166 PolarHBondContact O-OG 2.64Å; T163-F167 PolarHBondContact O-N 2.73Å; T163-F167 VanDerWaalsContact O-N 3.16Å |
| 164 | P | 82.8 | Confident | 84.8 | Confident | 9 Ų | 9 | 48.8 Ų | 48.8 | 6% | 0.058 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66 | -30.9 | 173.5 | -16.3 | 28.7 | 0 | 0 | 0 | 113.4 | L118 Q160 L161 F167 L168 | L118-P164 HydrophobicContact CD1-CB 4.26Å; L118-P164 HydrophobicContact CD2-CB 3.83Å; L118-P164 HydrophobicContact CD2-CG 4.14Å; L118-P164 HydrophobicContact CG-CB 3.84Å; Q160-P164 WeakPolarHBondContact O-CD 3.44Å; L161-P164 WeakPolarHBondContact O-CD 3.41Å; P164-F167 PolarHBondContact O-N 2.88Å; P164-L168 VanDerWaalsContact O-CB 3.29Å; P164-L168 WeakPolarHBondContact O-CB 3.35Å; P164-L168 PolarHBondContact O-N 2.64Å |
| 165 | I | 88.2 | Confident | 85.1 | Confident | 69 Ų | 69 | 46.9 Ų | 46.9 | 35% | 0.354 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.8 | -47.2 | 174.3 | -69.7 | 166.9 | 0 | 0 | 0 | 110.7 | L118 L161 L162 T163 F167 L168 I169 | L118-I165 HydrophobicContact CD1-CG1 3.93Å; L118-I165 HydrophobicContact CD2-CD1 4.38Å; L118-I165 HydrophobicContact CD2-CG1 3.81Å; L161-I165 HydrophobicContact CB-CD1 4.2Å; L161-I165 WeakPolarHBondContact O-CB 3.34Å; L161-I165 VanDerWaalsContact O-CD1 3.28Å; L161-I165 WeakPolarHBondContact O-CD1 3.34Å; L161-I165 WeakPolarHBondContact O-CG1 3.37Å; L161-I165 PolarHBondContact O-N 3.45Å; L161-I165 VanDerWaalsContact O-N 3.16Å; L162-I165 PolarHBondContact O-N 3.19Å; T163-I165 VanDerWaalsContact C-N 3.33Å; T163-I165 PolarHBondContact O-N 2.91Å; I165-F167 VanDerWaalsContact C-N 3.26Å; I165-F167 PolarHBondContact O-N 3.23Å; I165-L168 PolarHBondContact O-N 2.82Å; I165-I169 HydrophobicContact CG2-CD1 3.99Å; I165-I169 WeakPolarHBondContact O-CG1 3.25Å; I165-I169 PolarHBondContact O-N 3.41Å |
| 166 | S | 85.6 | Confident | 85.4 | Confident | 47 Ų | 47 | 52 Ų | 52 | 33% | 0.329 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.2 | -38.9 | 178.9 | 73 | 0 | 0 | 0 | 0 | 111.3 | L162 T163 I169 V170 | L162-S166 VanDerWaalsContact O-CB 3.22Å; L162-S166 WeakPolarHBondContact O-CB 3.33Å; L162-S166 PolarHBondContact O-N 3.24Å; L162-S166 PolarHBondContact O-OG 3.28Å; T163-S166 PolarHBondContact O-N 3.34Å; T163-S166 PolarHBondContact O-OG 2.64Å; S166-I169 PolarHBondContact O-N 2.82Å; S166-V170 WeakPolarHBondContact O-CG2 3.5Å; S166-V170 PolarHBondContact O-N 3.28Å |
| 167 | F | 86.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.6 | -46.2 | 176 | -174.1 | -124.5 | 0 | 0 | 0 | 112.6 | V64 L65 I68 Y81 L110 T163 P164 I165 I169 V170 V171 | V64-F167 HydrophobicContact CB-CD2 4.37Å; V64-F167 HydrophobicContact CG1-CD2 3.73Å; V64-F167 HydrophobicContact CG1-CE2 4.5Å; L65-F167 HydrophobicContact CB-CE2 3.82Å; L65-F167 HydrophobicContact CB-CZ 3.98Å; L65-F167 HydrophobicContact CD1-CE1 4.14Å; L65-F167 HydrophobicContact CD1-CE2 4.28Å; L65-F167 HydrophobicContact CD1-CZ 3.64Å; L65-F167 HydrophobicContact CG-CZ 4.28Å; I68-F167 HydrophobicContact CD1-CB 3.38Å; I68-F167 HydrophobicContact CD1-CD1 4.35Å; I68-F167 HydrophobicContact CD1-CD2 3.76Å; I68-F167 HydrophobicContact CD1-CG 3.56Å; Y81-F167 HydrophobicContact CD1-CE1 4.44Å; Y81-F167 HydrophobicContact CE1-CD1 4.17Å; Y81-F167 HydrophobicContact CE1-CE1 4.02Å; L110-F167 HydrophobicContact CD1-CE1 3.96Å; L110-F167 HydrophobicContact CD1-CZ 4.34Å; L110-F167 HydrophobicContact CD2-CE1 3.82Å; L110-F167 HydrophobicContact CD2-CZ 3.46Å; L110-F167 VanDerWaalsContact CD2-CZ 3.46Å; L110-F167 HydrophobicContact CG-CE1 3.65Å; L110-F167 HydrophobicContact CG-CZ 3.87Å; T163-F167 PolarHBondContact O-N 2.73Å; T163-F167 VanDerWaalsContact O-N 3.16Å; P164-F167 PolarHBondContact O-N 2.88Å; I165-F167 VanDerWaalsContact C-N 3.26Å; I165-F167 PolarHBondContact O-N 3.23Å; F167-I169 VanDerWaalsContact C-N 3.26Å; F167-I169 PolarHBondContact O-N 3.23Å; F167-V170 PolarHBondContact O-N 3.13Å; F167-V170 VanDerWaalsContact O-N 3.1Å; F167-V171 HydrophobicContact CD1-CG2 4.32Å; F167-V171 HydrophobicContact CD2-CG2 4.1Å; F167-V171 HydrophobicContact CE1-CG2 3.92Å; F167-V171 HydrophobicContact CE2-CG2 3.67Å; F167-V171 HydrophobicContact CG-CG2 4.4Å; F167-V171 HydrophobicContact CZ-CG2 3.55Å; F167-V171 WeakPolarHBondContact O-CG2 3.11Å; F167-V171 PolarHBondContact O-N 3.46Å |
| 168 | L | 89.6 | Confident | 85.9 | Confident | 28 Ų | 28 | 54.9 Ų | 54.9 | 15% | 0.147 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.3 | -43.7 | 175.8 | 179.2 | 67.1 | 0 | 0 | 0 | 110.3 | A111 S114 I115 L118 P164 I165 V171 I172 | A111-L168 HydrophobicContact CB-CD1 4Å; S114-L168 WeakPolarHBondContact OG-CD1 3.13Å; I115-L168 HydrophobicContact CD1-CD1 4.29Å; I115-L168 HydrophobicContact CG1-CD1 4.07Å; I115-L168 HydrophobicContact CG1-CD2 4.06Å; L118-L168 HydrophobicContact CD1-CD2 4.31Å; P164-L168 VanDerWaalsContact O-CB 3.29Å; P164-L168 WeakPolarHBondContact O-CB 3.35Å; P164-L168 PolarHBondContact O-N 2.64Å; I165-L168 PolarHBondContact O-N 2.82Å; L168-V171 PolarHBondContact O-N 3.48Å; L168-I172 HydrophobicContact CD1-CD1 3.94Å; L168-I172 HydrophobicContact CD1-CG1 4.32Å; L168-I172 HydrophobicContact CD2-CD1 4.5Å; L168-I172 HydrophobicContact CG-CD1 3.78Å; L168-I172 HydrophobicContact CG-CG1 4.5Å; L168-I172 WeakPolarHBondContact O-CB 3.33Å; L168-I172 WeakPolarHBondContact O-CG1 3.36Å; L168-I172 PolarHBondContact O-N 3.01Å |
| 169 | I | 90.3 | Very high | 86.1 | Confident | 91 Ų | 91 | 49.5 Ų | 49.5 | 47% | 0.467 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60.5 | -47.5 | 175 | -67.2 | 165.8 | 0 | 0 | 0 | 111.1 | I165 S166 F167 V171 I172 L173 | I165-I169 HydrophobicContact CG2-CD1 3.99Å; I165-I169 WeakPolarHBondContact O-CG1 3.25Å; I165-I169 PolarHBondContact O-N 3.41Å; S166-I169 PolarHBondContact O-N 2.82Å; F167-I169 VanDerWaalsContact C-N 3.26Å; F167-I169 PolarHBondContact O-N 3.23Å; I169-V171 VanDerWaalsContact C-N 3.35Å; I169-V171 PolarHBondContact O-N 3.01Å; I169-I172 PolarHBondContact O-N 3.08Å; I169-L173 HydrophobicContact CG2-CD1 4Å; I169-L173 HydrophobicContact CG2-CG 4.32Å; I169-L173 WeakPolarHBondContact O-CB 3.4Å; I169-L173 VanDerWaalsContact O-CG 3.29Å; I169-L173 WeakPolarHBondContact O-CG 3.29Å; I169-L173 PolarHBondContact O-N 3.48Å |
| 170 | V | 90.4 | Very high | 86.4 | Confident | 24 Ų | 24 | 48.4 Ų | 48.4 | 15% | 0.145 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63 | -40.8 | -179.7 | 170.1 | 0 | 0 | 0 | 0 | 111.8 | V61 S166 F167 L173 Q174 | V61-V170 HydrophobicContact CB-CG1 4.3Å; V61-V170 HydrophobicContact CG2-CG1 3.8Å; S166-V170 WeakPolarHBondContact O-CG2 3.5Å; S166-V170 PolarHBondContact O-N 3.28Å; F167-V170 PolarHBondContact O-N 3.13Å; F167-V170 VanDerWaalsContact O-N 3.1Å; V170-L173 PolarHBondContact O-N 3.05Å; V170-Q174 PolarHBondContact O-N 3.07Å |
| 171 | V | 89.3 | Confident | 86.5 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.8 | -42.8 | 175.5 | 174.6 | 0 | 0 | 0 | 0 | 110.7 | V61 W107 A111 F167 L168 I169 L173 Q174 L175 | V61-V171 HydrophobicContact CG1-CG2 4.19Å; W107-V171 HydrophobicContact CB-CG1 4.09Å; W107-V171 HydrophobicContact CE3-CG1 4.27Å; W107-V171 HydrophobicContact CE3-CG2 4.44Å; A111-V171 HydrophobicContact CB-CG1 4.24Å; F167-V171 HydrophobicContact CD1-CG2 4.32Å; F167-V171 HydrophobicContact CD2-CG2 4.1Å; F167-V171 HydrophobicContact CE1-CG2 3.92Å; F167-V171 HydrophobicContact CE2-CG2 3.67Å; F167-V171 HydrophobicContact CG-CG2 4.4Å; F167-V171 HydrophobicContact CZ-CG2 3.55Å; F167-V171 WeakPolarHBondContact O-CG2 3.11Å; F167-V171 PolarHBondContact O-N 3.46Å; L168-V171 PolarHBondContact O-N 3.48Å; I169-V171 VanDerWaalsContact C-N 3.35Å; I169-V171 PolarHBondContact O-N 3.01Å; V171-L173 PolarHBondContact O-N 3.21Å; V171-Q174 WeakPolarHBondContact O-CB 3.47Å; V171-Q174 PolarHBondContact O-N 3.04Å; V171-L175 WeakPolarHBondContact O-CB 3.15Å; V171-L175 PolarHBondContact O-N 3.43Å |
| 172 | I | 89.5 | Confident | 86.4 | Confident | 86 Ų | 86 | 47 Ų | 47 | 44% | 0.441 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.3 | -41.6 | 175.7 | -70.8 | 168.4 | 0 | 0 | 0 | 111.1 | L168 I169 Q174 L175 K176 | L168-I172 HydrophobicContact CD1-CD1 3.94Å; L168-I172 HydrophobicContact CD1-CG1 4.32Å; L168-I172 HydrophobicContact CD2-CD1 4.5Å; L168-I172 HydrophobicContact CG-CD1 3.78Å; L168-I172 HydrophobicContact CG-CG1 4.5Å; L168-I172 WeakPolarHBondContact O-CB 3.33Å; L168-I172 WeakPolarHBondContact O-CG1 3.36Å; L168-I172 PolarHBondContact O-N 3.01Å; I169-I172 PolarHBondContact O-N 3.08Å; I172-Q174 VanDerWaalsContact C-N 3.35Å; I172-Q174 PolarHBondContact O-N 3.28Å; I172-L175 PolarHBondContact O-N 3.14Å; I172-K176 WeakPolarHBondContact O-CB 3.32Å; I172-K176 PolarHBondContact O-N 3.35Å |
| 173 | L | 89.4 | Confident | 86.3 | Confident | 56 Ų | 56 | 45 Ų | 45 | 29% | 0.293 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.4 | -43.4 | 175.5 | -75.1 | 173.3 | 0 | 0 | 0 | 111.6 | W57 I169 V170 V171 L175 F177 | W57-L173 HydrophobicContact CZ2-CB 4.36Å; W57-L173 HydrophobicContact CZ2-CD1 4.02Å; I169-L173 HydrophobicContact CG2-CD1 4Å; I169-L173 HydrophobicContact CG2-CG 4.32Å; I169-L173 WeakPolarHBondContact O-CB 3.4Å; I169-L173 VanDerWaalsContact O-CG 3.29Å; I169-L173 WeakPolarHBondContact O-CG 3.29Å; I169-L173 PolarHBondContact O-N 3.48Å; V170-L173 PolarHBondContact O-N 3.05Å; V171-L173 PolarHBondContact O-N 3.21Å; L173-L175 VanDerWaalsContact C-N 3.35Å; L173-F177 HydrophobicContact CD2-CD2 3.7Å; L173-F177 HydrophobicContact CD2-CE2 3.73Å; L173-F177 PolarHBondContact O-N 3.29Å |
| 174 | Q | 88.5 | Confident | 86 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | I | π-helix | trans | -59.5 | -47 | 173.3 | 174 | 63.3 | 7 | 0 | 0 | 110.9 | V61 V170 V171 I172 F178 H179 | V61-Q174 HydrophobicContact CG2-CB 3.68Å; V61-Q174 HydrophobicContact CG2-CG 3.97Å; V170-Q174 PolarHBondContact O-N 3.07Å; V171-Q174 WeakPolarHBondContact O-CB 3.47Å; V171-Q174 PolarHBondContact O-N 3.04Å; I172-Q174 VanDerWaalsContact C-N 3.35Å; I172-Q174 PolarHBondContact O-N 3.28Å; Q174-F178 CarbonylContact O-C 3.58Å; Q174-F178 PolarHBondContact O-N 2.87Å; Q174-H179 WeakPolarHBondContact O-CA 3.33Å; Q174-H179 VanDerWaalsContact O-CB 3.23Å; Q174-H179 WeakPolarHBondContact O-CB 3.39Å; Q174-H179 PolarHBondContact O-N 2.94Å |
| 175 | L | 87.9 | Confident | 85.5 | Confident | 52 Ų | 52 | 54.1 Ų | 54.1 | 27% | 0.272 | 28% | 0.275 | S | S | . | . | I | π-helix | trans | -67.9 | -39.7 | -175.3 | -148.2 | 151 | 0 | 0 | 0 | 111.9 | F104 W107 V171 I172 L173 | F104-L175 HydrophobicContact CD2-CD2 4.28Å; F104-L175 HydrophobicContact CD2-CG 4.49Å; F104-L175 HydrophobicContact CE2-CD2 3.57Å; F104-L175 HydrophobicContact CE2-CG 4.24Å; F104-L175 HydrophobicContact CZ-CD2 4.22Å; W107-L175 HydrophobicContact CB-CD1 3.79Å; V171-L175 WeakPolarHBondContact O-CB 3.15Å; V171-L175 PolarHBondContact O-N 3.43Å; I172-L175 PolarHBondContact O-N 3.14Å; L173-L175 VanDerWaalsContact C-N 3.35Å |
| 176 | K | 87.6 | Confident | 84.7 | Confident | 155 Ų | 155 | 52.2 Ų | 52.2 | 67% | 0.674 | 27% | 0.267 | S | S | * | . | I | π-helix | trans | -83.3 | -47 | -175.5 | -172.2 | 174.4 | -178.9 | 177.2 | 0 | 114.2 | I172 | I172-K176 WeakPolarHBondContact O-CB 3.32Å; I172-K176 PolarHBondContact O-N 3.35Å |
| 177 | F | 84.6 | Confident | 84 | Confident | 117 Ų | 117 | 53.6 Ų | 53.6 | 51% | 0.513 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -103.3 | -41.6 | -169.4 | -65.1 | -69.5 | 0 | 0 | 0 | 113 | L173 | L173-F177 HydrophobicContact CD2-CD2 3.7Å; L173-F177 HydrophobicContact CD2-CE2 3.73Å; L173-F177 PolarHBondContact O-N 3.29Å |
| 178 | F | 85.9 | Confident | 82.7 | Confident | 27 Ų | 27 | 56.8 Ų | 56.8 | 12% | 0.118 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -103.1 | -22.1 | -165.8 | -56 | -52.8 | 0 | 0 | 0 | 114 | L53 W57 Q174 G181 F182 | L53-F178 HydrophobicContact CB-CD1 4.27Å; L53-F178 HydrophobicContact CB-CE1 3.66Å; L53-F178 HydrophobicContact CB-CZ 4.11Å; L53-F178 HydrophobicContact CD1-CE1 4.46Å; L53-F178 HydrophobicContact CD1-CZ 4.48Å; W57-F178 HydrophobicContact CB-CB 4.21Å; W57-F178 HydrophobicContact CB-CD2 3.78Å; W57-F178 HydrophobicContact CB-CE2 4.35Å; W57-F178 HydrophobicContact CB-CG 4.02Å; W57-F178 AromaticContact CD1-CD2 3.38Å; W57-F178 AromaticContact CD1-CE2 3.97Å; W57-F178 AromaticContact CD2-CD2 3.65Å; W57-F178 HydrophobicContact CD2-CD2 3.65Å; W57-F178 AromaticContact CD2-CE2 3.47Å; W57-F178 HydrophobicContact CD2-CE2 3.47Å; W57-F178 VanDerWaalsContact CD2-CE2 3.47Å; W57-F178 HydrophobicContact CD2-CZ 4.39Å; W57-F178 AromaticContact CE2-CD2 3.9Å; W57-F178 AromaticContact CE2-CE2 3.65Å; W57-F178 HydrophobicContact CE3-CD2 4.46Å; W57-F178 AromaticContact CE3-CE2 3.93Å; W57-F178 HydrophobicContact CE3-CE2 3.93Å; W57-F178 HydrophobicContact CE3-CZ 4.46Å; W57-F178 HydrophobicContact CG-CB 4.47Å; W57-F178 AromaticContact CG-CD2 3.29Å; W57-F178 HydrophobicContact CG-CD2 3.29Å; W57-F178 AromaticContact CG-CE2 3.68Å; W57-F178 HydrophobicContact CG-CE2 3.68Å; W57-F178 HydrophobicContact CG-CG 4.04Å; W57-F178 HydrophobicContact CZ2-CE2 4.22Å; W57-F178 HydrophobicContact CZ3-CE2 4.47Å; W57-F178 AromaticContact NE1-CD2 3.69Å; W57-F178 AromaticContact NE1-CE2 3.9Å; Q174-F178 CarbonylContact O-C 3.58Å; Q174-F178 PolarHBondContact O-N 2.87Å; F178-G181 PolarHBondContact O-N 2.04Å; F178-F182 VanDerWaalsContact O-CB 3.31Å; F178-F182 WeakPolarHBondContact O-CB 3.4Å; F178-F182 PolarHBondContact O-N 3.44Å |
| 179 | H | 85.9 | Confident | 81.1 | Confident | 23 Ų | 23 | 62.5 Ų | 62.5 | 11% | 0.106 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.5 | -51.3 | -176.7 | -176.2 | 81.2 | 0 | 0 | 0 | 112 | F104 Q174 G181 F182 M183 | F104-H179 AromaticContact CD2-NE2 3.93Å; Q174-H179 WeakPolarHBondContact O-CA 3.33Å; Q174-H179 VanDerWaalsContact O-CB 3.23Å; Q174-H179 WeakPolarHBondContact O-CB 3.39Å; Q174-H179 PolarHBondContact O-N 2.94Å; H179-G181 VanDerWaalsContact C-N 3.34Å; H179-G181 PolarHBondContact O-N 3.1Å; H179-F182 PolarHBondContact O-N 2.72Å; H179-M183 WeakPolarHBondContact O-CB 3.41Å; H179-M183 VanDerWaalsContact O-CG 3.25Å; H179-M183 WeakPolarHBondContact O-CG 3.27Å; H179-M183 PolarHBondContact O-N 3.17Å |
| 180 | A | 83.2 | Confident | 79.3 | Confident | 68 Ų | 68 | 64.1 Ų | 64.1 | 56% | 0.562 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.8 | -40.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M183 R184 | A180-M183 PolarHBondContact O-N 3.05Å; A180-R184 WeakPolarHBondContact O-CB 3.29Å; A180-R184 PolarHBondContact O-N 3.13Å |
| 181 | G | 80 | Confident | 77.4 | Confident | 18 Ų | 18 | 70.2 Ų | 70.2 | 19% | 0.186 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63 | -46.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F178 H179 R184 I185 | F178-G181 PolarHBondContact O-N 2.04Å; H179-G181 VanDerWaalsContact C-N 3.34Å; H179-G181 PolarHBondContact O-N 3.1Å; G181-R184 PolarHBondContact O-N 3.36Å; G181-I185 VanDerWaalsContact O-CG1 3.27Å; G181-I185 WeakPolarHBondContact O-CG1 3.27Å; G181-I185 PolarHBondContact O-N 2.93Å |
| 182 | F | 83.1 | Confident | 75.4 | Confident | 19 Ų | 19 | 73.4 Ų | 73.4 | 8% | 0.083 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 176.1 | -179.1 | -99.9 | 0 | 0 | 0 | 112 | I58 W99 L103 F178 H179 R184 I185 T186 | I58-F182 HydrophobicContact CD1-CD1 4.42Å; I58-F182 HydrophobicContact CD1-CE1 3.85Å; I58-F182 HydrophobicContact CD1-CE2 4.37Å; I58-F182 HydrophobicContact CD1-CZ 3.82Å; I58-F182 HydrophobicContact CG2-CD2 4.31Å; I58-F182 HydrophobicContact CG2-CE2 3.81Å; I58-F182 HydrophobicContact CG2-CZ 4.24Å; W99-F182 HydrophobicContact CH2-CE1 4.25Å; W99-F182 HydrophobicContact CH2-CZ 4.21Å; W99-F182 HydrophobicContact CZ3-CE1 4.22Å; W99-F182 HydrophobicContact CZ3-CZ 4.34Å; L103-F182 HydrophobicContact CD2-CE1 4.45Å; F178-F182 VanDerWaalsContact O-CB 3.31Å; F178-F182 WeakPolarHBondContact O-CB 3.4Å; F178-F182 PolarHBondContact O-N 3.44Å; H179-F182 PolarHBondContact O-N 2.72Å; F182-R184 VanDerWaalsContact C-N 3.32Å; F182-R184 PolarHBondContact O-N 2.91Å; F182-I185 PolarHBondContact O-N 3.38Å; F182-T186 HydrophobicContact CD1-CG2 4.36Å; F182-T186 HydrophobicContact CD2-CG2 4.26Å; F182-T186 HydrophobicContact CE1-CG2 4.01Å; F182-T186 HydrophobicContact CE2-CG2 3.89Å; F182-T186 HydrophobicContact CG-CG2 4.48Å; F182-T186 HydrophobicContact CZ-CG2 3.76Å; F182-T186 WeakPolarHBondContact O-CB 3.25Å; F182-T186 VanDerWaalsContact O-CG2 3.32Å; F182-T186 WeakPolarHBondContact O-CG2 3.36Å; F182-T186 PolarHBondContact O-N 3.08Å; F182-T186 PolarHBondContact O-OG1 3.42Å |
| 183 | M | 82.2 | Confident | 73.5 | Confident | 36 Ų | 36 | 74.2 Ų | 74.2 | 18% | 0.177 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.4 | -37.5 | 176.7 | -69.6 | -58.5 | -76.9 | 0 | 0 | 111.8 | K100 H179 A180 T186 N187 | K100-M183 HydrophobicContact CB-CE 4.34Å; H179-M183 WeakPolarHBondContact O-CB 3.41Å; H179-M183 VanDerWaalsContact O-CG 3.25Å; H179-M183 WeakPolarHBondContact O-CG 3.27Å; H179-M183 PolarHBondContact O-N 3.17Å; A180-M183 PolarHBondContact O-N 3.05Å; M183-T186 PolarHBondContact O-OG1 3.48Å; M183-N187 WeakPolarHBondContact O-CB 3.42Å; M183-N187 PolarHBondContact O-N 3.47Å; M183-N187 VanDerWaalsContact O-N 3.16Å |
| 184 | R | 75.1 | Confident | 71.4 | Confident | 164 Ų | 164 | 76.2 Ų | 76.2 | 62% | 0.619 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66.5 | -44.1 | 174.8 | -169.2 | -175.4 | -69.9 | 163.2 | -2.4 | 112.1 | A180 G181 F182 T186 N187 | A180-R184 WeakPolarHBondContact O-CB 3.29Å; A180-R184 PolarHBondContact O-N 3.13Å; G181-R184 PolarHBondContact O-N 3.36Å; F182-R184 VanDerWaalsContact C-N 3.32Å; F182-R184 PolarHBondContact O-N 2.91Å; R184-T186 VanDerWaalsContact C-N 3.31Å; R184-T186 PolarHBondContact O-N 3.49Å; R184-N187 PolarHBondContact O-N 3.49Å |
| 185 | I | 71.9 | Confident | 69.4 | Low | 57 Ų | 57 | 79.7 Ų | 79.7 | 29% | 0.292 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.9 | -32 | -179.5 | -67.5 | 164.8 | 0 | 0 | 0 | 111.8 | S54 K55 G181 F182 Y363 | S54-I185 WeakPolarHBondContact OG-CD1 3.27Å; K55-I185 HydrophobicContact CB-CD1 4.44Å; G181-I185 VanDerWaalsContact O-CG1 3.27Å; G181-I185 WeakPolarHBondContact O-CG1 3.27Å; G181-I185 PolarHBondContact O-N 2.93Å; F182-I185 PolarHBondContact O-N 3.38Å; I185-Y363 PolarHBondContact O-OH 2.97Å |
| 186 | T | 72.8 | Confident | 67.3 | Low | 29 Ų | 29 | 84.3 Ų | 84.3 | 18% | 0.178 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -3.5 | -178.1 | 57.4 | 0 | 0 | 0 | 0 | 113.7 | K100 F182 M183 R184 | K100-T186 WeakPolarHBondContact CE-OG1 3.32Å; K100-T186 VanDerWaalsContact NZ-C 3.35Å; K100-T186 PolarHBondContact NZ-O 2.89Å; K100-T186 PolarHBondContact NZ-OG1 3.3Å; F182-T186 HydrophobicContact CD1-CG2 4.36Å; F182-T186 HydrophobicContact CD2-CG2 4.26Å; F182-T186 HydrophobicContact CE1-CG2 4.01Å; F182-T186 HydrophobicContact CE2-CG2 3.89Å; F182-T186 HydrophobicContact CG-CG2 4.48Å; F182-T186 HydrophobicContact CZ-CG2 3.76Å; F182-T186 WeakPolarHBondContact O-CB 3.25Å; F182-T186 VanDerWaalsContact O-CG2 3.32Å; F182-T186 WeakPolarHBondContact O-CG2 3.36Å; F182-T186 PolarHBondContact O-N 3.08Å; F182-T186 PolarHBondContact O-OG1 3.42Å; M183-T186 PolarHBondContact O-OG1 3.48Å; R184-T186 VanDerWaalsContact C-N 3.31Å; R184-T186 PolarHBondContact O-N 3.49Å |
| 187 | N | 69.1 | Low | 64.9 | Low | 76 Ų | 76 | 83.4 Ų | 83.4 | 41% | 0.406 | 44% | 0.439 | S | S | . | . | trans | -89.5 | 122 | 176.1 | -90.6 | -7.4 | 0 | 0 | 0 | 111.2 | K100 M183 R184 L189 | K100-N187 PolarHBondContact NZ-OD1 2.99Å; M183-N187 WeakPolarHBondContact O-CB 3.42Å; M183-N187 PolarHBondContact O-N 3.47Å; M183-N187 VanDerWaalsContact O-N 3.16Å; R184-N187 PolarHBondContact O-N 3.49Å; N187-L189 VanDerWaalsContact C-N 3.25Å; N187-L189 PolarHBondContact O-N 3.38Å | ||
| 188 | P | 59.6 | Low | 62.8 | Low | 67 Ų | 67 | 82.1 Ų | 82.1 | 44% | 0.435 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -18.4 | -174 | 24.9 | -32.5 | 0 | 0 | 0 | 114.5 | Y363 | P188-Y363 HydrophobicContact CB-CD2 4.43Å; P188-Y363 HydrophobicContact CB-CE2 4.36Å |
| 189 | L | 57.6 | Low | 60.7 | Low | 148 Ų | 148 | 85 Ų | 85 | 78% | 0.775 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -19.4 | -169.8 | -80.5 | 156.8 | 0 | 0 | 0 | 116 | N187 S192 | N187-L189 VanDerWaalsContact C-N 3.25Å; N187-L189 PolarHBondContact O-N 3.38Å; L189-S192 PolarHBondContact O-OG 2.85Å |
| 190 | H | 51.2 | Low | 58.4 | Low | 124 Ų | 124 | 92.3 Ų | 92.3 | 57% | 0.574 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -90.5 | -12.9 | -168.3 | -158 | -62.4 | 0 | 0 | 0 | 114.6 | ||
| 191 | R | 50.3 | Low | 56.3 | Low | 153 Ų | 153 | 97.6 Ų | 97.6 | 58% | 0.577 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -98.5 | -16.1 | -175.5 | -149.9 | 167.9 | -163.7 | 164.8 | 6.2 | 114.5 | V193 V194 S195 | R191-V193 PolarHBondContact O-N 3.45Å; R191-V194 PolarHBondContact O-N 3.44Å; R191-S195 PolarHBondContact O-N 3.15Å; R191-S195 PolarHBondContact O-OG 2.9Å |
| 192 | S | 48.4 | Very low | 54.3 | Low | 66 Ų | 66 | 104.8 Ų | 104.8 | 46% | 0.462 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -28.7 | 177.5 | 51.3 | 0 | 0 | 0 | 0 | 113.1 | L189 S195 | L189-S192 PolarHBondContact O-OG 2.85Å; S192-S195 PolarHBondContact O-OG 3.45Å |
| 193 | V | 48.4 | Very low | 52.1 | Low | 104 Ų | 104 | 112.4 Ų | 112.4 | 63% | 0.63 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -27 | -178.8 | -176.5 | 0 | 0 | 0 | 0 | 112.9 | R191 | R191-V193 PolarHBondContact O-N 3.45Š|
| 194 | V | 46.8 | Very low | 49.6 | Very low | 97 Ų | 97 | 121.9 Ų | 121.9 | 59% | 0.588 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -27 | -177.7 | -179 | 0 | 0 | 0 | 0 | 112.1 | R191 Q196 T198 | R191-V194 PolarHBondContact O-N 3.44Å; V194-Q196 PolarHBondContact O-N 2.9Å; V194-T198 PolarHBondContact O-OG1 2.82Å |
| 195 | S | 45.1 | Very low | 47.6 | Very low | 74 Ų | 74 | 123 Ų | 123 | 52% | 0.517 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77 | -15.2 | 179.3 | 50.7 | 0 | 0 | 0 | 0 | 114.9 | R191 S192 | R191-S195 PolarHBondContact O-N 3.15Å; R191-S195 PolarHBondContact O-OG 2.9Å; S192-S195 PolarHBondContact O-OG 3.45Å |
| 196 | Q | 44.6 | Very low | 45.7 | Very low | 149 Ų | 149 | 129.2 Ų | 129.2 | 70% | 0.696 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -22.5 | 178.2 | -79.9 | -176.5 | -32.2 | 0 | 0 | 113.7 | V194 S199 | V194-Q196 PolarHBondContact O-N 2.9Å; Q196-S199 PolarHBondContact O-OG 3.22Å |
| 197 | N | 37.9 | Very low | 43.8 | Very low | 135 Ų | 135 | 136.3 Ų | 136.3 | 72% | 0.722 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -88.3 | -15.7 | 178.9 | -77 | -3.2 | 0 | 0 | 0 | 113.9 | ||
| 198 | T | 39.3 | Very low | 42.3 | Very low | 90 Ų | 90 | 140.4 Ų | 140.4 | 55% | 0.552 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -88.5 | -4.7 | -179.4 | -28.1 | 0 | 0 | 0 | 0 | 113.2 | V194 | V194-T198 PolarHBondContact O-OG1 2.82Š|
| 199 | S | 41.5 | Very low | 41.4 | Very low | 89 Ų | 89 | 141.6 Ų | 141.6 | 62% | 0.622 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -79.3 | -8.9 | -179.2 | 16.2 | 0 | 0 | 0 | 0 | 115.3 | Q196 | Q196-S199 PolarHBondContact O-OG 3.22Š|
| 200 | Q | 39.5 | Very low | 40.6 | Very low | 176 Ų | 176 | 144 Ų | 144 | 82% | 0.822 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -104.5 | -4.6 | -176.3 | -81.6 | -178.7 | -22.2 | 0 | 0 | 115.7 | ||
| 201 | Q | 38.3 | Very low | 40.4 | Very low | 179 Ų | 179 | 144.3 Ų | 144.3 | 84% | 0.836 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -110.1 | 5 | -175 | -106.2 | 177.3 | -17.9 | 0 | 0 | 115.7 | ||
| 202 | Q | 38.3 | Very low | 40.2 | Very low | 169 Ų | 169 | 141.3 Ų | 141.3 | 79% | 0.79 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -106.1 | 24.4 | -175.2 | -150.2 | 138 | 8.6 | 0 | 0 | 113.8 | ||
| 203 | Q | 35.8 | Very low | 40.3 | Very low | 178 Ų | 178 | 148.6 Ų | 148.6 | 83% | 0.832 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -110.8 | 12.7 | -174.8 | -109.2 | 179.7 | -14.2 | 0 | 0 | 115.1 | ||
| 204 | R | 29.6 | Very low | 40.4 | Very low | 236 Ų | 236 | 149 Ų | 149 | 89% | 0.891 | 73% | 0.734 | S | S | * | * | trans | -142.9 | 142.6 | 171.1 | -72.9 | -174.2 | -163.1 | 176.1 | 5 | 112.4 | ||||
| 205 | M | 34.7 | Very low | 41.1 | Very low | 187 Ų | 187 | 150.5 Ų | 150.5 | 92% | 0.921 | 73% | 0.733 | S | S | * | * | trans | 98.4 | 82.9 | 173.5 | -55.6 | -149.8 | -63.1 | 0 | 0 | 116.8 | ||||
| 206 | E | 30.8 | Very low | 41.9 | Very low | 187 Ų | 187 | 149.7 Ų | 149.7 | 87% | 0.874 | 73% | 0.731 | S | S | * | * | trans | -51.4 | 129.9 | 136.6 | -74.7 | 164.8 | 127.2 | 0 | 0 | 110.8 | ||||
| 207 | E | 32.9 | Very low | 42.7 | Very low | 179 Ų | 179 | 147.2 Ų | 147.2 | 84% | 0.836 | 72% | 0.722 | S | S | * | * | trans | 173.8 | 142.4 | 133.5 | -95.4 | 174.2 | -180 | 0 | 0 | 110.1 | ||||
| 208 | E | 37.5 | Very low | 43.9 | Very low | 161 Ų | 161 | 146 Ų | 146 | 75% | 0.752 | 71% | 0.713 | S | S | * | * | trans | 87.9 | 96.5 | 165.4 | -46.9 | -159.3 | 162.4 | 0 | 0 | 120.6 | K210 Q211 | E208-K210 PolarHBondContact O-N 3.29Å; E208-Q211 PolarHBondContact O-N 2.7Å | ||
| 209 | A | 40.1 | Very low | 45.5 | Very low | 92 Ų | 92 | 146.2 Ų | 146.2 | 76% | 0.76 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -5.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 210 | K | 42.1 | Very low | 46.7 | Very low | 198 Ų | 198 | 144.8 Ų | 144.8 | 86% | 0.861 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -26.3 | 176.1 | -72.7 | -179.8 | -178.8 | 172.5 | 0 | 112.9 | E208 C212 | E208-K210 PolarHBondContact O-N 3.29Å; K210-C212 VanDerWaalsContact C-N 3.32Å; K210-C212 PolarHBondContact O-N 3.28Å |
| 211 | Q | 46.7 | Very low | 48.3 | Very low | 132 Ų | 132 | 140.9 Ų | 140.9 | 62% | 0.617 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -79 | -16.2 | -179.8 | -152.7 | 147.4 | 3.1 | 0 | 0 | 113.2 | E208 K215 | E208-Q211 PolarHBondContact O-N 2.7Å; Q211-K215 PolarHBondContact O-N 2.96Å |
| 212 | C | 46.6 | Very low | 50.1 | Low | 90 Ų | 90 | 138 Ų | 138 | 61% | 0.608 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -71.4 | -37.1 | -177.6 | -152.7 | 0 | 0 | 0 | 0 | 112.8 | K210 A216 | K210-C212 VanDerWaalsContact C-N 3.32Å; K210-C212 PolarHBondContact O-N 3.28Å; C212-A216 WeakPolarHBondContact O-CB 3.38Å; C212-A216 PolarHBondContact O-N 2.77Å |
| 213 | R | 48.9 | Very low | 51.7 | Low | 219 Ų | 219 | 133.8 Ų | 133.8 | 83% | 0.826 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -66.1 | -39.8 | 176.3 | -71.7 | -168.4 | -172.6 | -169.2 | 3.3 | 112.4 | L217 | R213-L217 VanDerWaalsContact O-CB 3.3Å; R213-L217 WeakPolarHBondContact O-CB 3.5Å; R213-L217 PolarHBondContact O-N 3.18Å |
| 214 | F | 51.8 | Low | 53.8 | Low | 111 Ų | 111 | 133.1 Ų | 133.1 | 49% | 0.487 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -72.6 | -41.1 | 178.4 | -170.7 | -97 | 0 | 0 | 0 | 112.3 | L217 M218 | F214-L217 PolarHBondContact O-N 3.17Å; F214-M218 HydrophobicContact CD1-CG 4.14Å; F214-M218 HydrophobicContact CE1-CG 3.78Å; F214-M218 HydrophobicContact CZ-CG 4.15Å; F214-M218 WeakPolarHBondContact O-CB 3.2Å; F214-M218 WeakPolarHBondContact O-CG 3.45Å; F214-M218 PolarHBondContact O-N 3.32Å |
| 215 | K | 60.9 | Low | 56.2 | Low | 129 Ų | 129 | 127.9 Ų | 127.9 | 56% | 0.561 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -62.2 | -41.8 | 170.8 | -88.2 | -178.3 | 178.8 | 170.7 | 0 | 111.8 | Q211 M218 T219 | Q211-K215 PolarHBondContact O-N 2.96Å; K215-M218 PolarHBondContact O-N 3.44Å; K215-T219 WeakPolarHBondContact O-CB 3.31Å; K215-T219 PolarHBondContact O-N 3.28Å; K215-T219 PolarHBondContact O-OG1 2.99Å |
| 216 | A | 61.5 | Low | 58.4 | Low | 58 Ų | 58 | 120.5 Ų | 120.5 | 48% | 0.479 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63 | -44.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | C212 T219 A220 | C212-A216 WeakPolarHBondContact O-CB 3.38Å; C212-A216 PolarHBondContact O-N 2.77Å; A216-T219 PolarHBondContact O-N 2.86Å; A216-A220 VanDerWaalsContact O-CB 3.24Å; A216-A220 WeakPolarHBondContact O-CB 3.46Å; A216-A220 PolarHBondContact O-N 2.84Å |
| 217 | L | 61.6 | Low | 60.7 | Low | 97 Ų | 97 | 112.8 Ų | 112.8 | 51% | 0.508 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.7 | -46.1 | 174.5 | -172.9 | 79.3 | 0 | 0 | 0 | 111.8 | R213 F214 T219 A220 L221 | R213-L217 VanDerWaalsContact O-CB 3.3Å; R213-L217 WeakPolarHBondContact O-CB 3.5Å; R213-L217 PolarHBondContact O-N 3.18Å; F214-L217 PolarHBondContact O-N 3.17Å; L217-T219 VanDerWaalsContact C-N 3.34Å; L217-T219 PolarHBondContact O-N 3.32Å; L217-A220 PolarHBondContact O-N 3.24Å; L217-L221 HydrophobicContact CD2-CD1 4.42Å; L217-L221 HydrophobicContact CG-CD1 4.09Å; L217-L221 HydrophobicContact CG-CG 4.49Å; L217-L221 WeakPolarHBondContact O-CB 3.37Å; L217-L221 VanDerWaalsContact O-CG 3.27Å; L217-L221 WeakPolarHBondContact O-CG 3.34Å; L217-L221 PolarHBondContact O-N 3.16Å |
| 218 | M | 63.6 | Low | 63.1 | Low | 110 Ų | 110 | 106.7 Ų | 106.7 | 54% | 0.542 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.4 | -38.4 | 176.9 | -84.2 | -83.4 | -94.2 | 0 | 0 | 112.3 | F214 K215 K222 | F214-M218 HydrophobicContact CD1-CG 4.14Å; F214-M218 HydrophobicContact CE1-CG 3.78Å; F214-M218 HydrophobicContact CZ-CG 4.15Å; F214-M218 WeakPolarHBondContact O-CB 3.2Å; F214-M218 WeakPolarHBondContact O-CG 3.45Å; F214-M218 PolarHBondContact O-N 3.32Å; K215-M218 PolarHBondContact O-N 3.44Å; M218-K222 VanDerWaalsContact O-CB 3.32Å; M218-K222 WeakPolarHBondContact O-CB 3.41Å; M218-K222 PolarHBondContact O-N 2.88Å |
| 219 | T | 71.7 | Confident | 65.5 | Low | 94 Ų | 94 | 101.5 Ų | 101.5 | 58% | 0.577 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -70 | -40.6 | 176 | -50.3 | 0 | 0 | 0 | 0 | 110.9 | K215 A216 L217 K222 S223 | K215-T219 WeakPolarHBondContact O-CB 3.31Å; K215-T219 PolarHBondContact O-N 3.28Å; K215-T219 PolarHBondContact O-OG1 2.99Å; A216-T219 PolarHBondContact O-N 2.86Å; L217-T219 VanDerWaalsContact C-N 3.34Å; L217-T219 PolarHBondContact O-N 3.32Å; T219-K222 PolarHBondContact O-N 3.17Å; T219-S223 WeakPolarHBondContact O-CB 3.41Å; T219-S223 PolarHBondContact O-N 3.34Å |
| 220 | A | 67.5 | Low | 67.7 | Low | 58 Ų | 58 | 98.3 Ų | 98.3 | 48% | 0.479 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A216 L217 K222 S223 Y224 | A216-A220 VanDerWaalsContact O-CB 3.24Å; A216-A220 WeakPolarHBondContact O-CB 3.46Å; A216-A220 PolarHBondContact O-N 2.84Å; L217-A220 PolarHBondContact O-N 3.24Å; A220-K222 PolarHBondContact O-N 3.5Å; A220-S223 PolarHBondContact O-N 3.11Å; A220-Y224 VanDerWaalsContact O-CB 3.23Å; A220-Y224 WeakPolarHBondContact O-CB 3.47Å; A220-Y224 PolarHBondContact O-N 2.9Å |
| 221 | L | 72.5 | Confident | 69.8 | Low | 95 Ų | 95 | 93.7 Ų | 93.7 | 50% | 0.497 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.4 | -37.6 | 174.8 | -75.7 | 170.1 | 0 | 0 | 0 | 111.8 | L217 R225 | L217-L221 HydrophobicContact CD2-CD1 4.42Å; L217-L221 HydrophobicContact CG-CD1 4.09Å; L217-L221 HydrophobicContact CG-CG 4.49Å; L217-L221 WeakPolarHBondContact O-CB 3.37Å; L217-L221 VanDerWaalsContact O-CG 3.27Å; L217-L221 WeakPolarHBondContact O-CG 3.34Å; L217-L221 PolarHBondContact O-N 3.16Å; L221-R225 WeakPolarHBondContact O-CB 3.49Å; L221-R225 PolarHBondContact O-N 3.18Å |
| 222 | K | 76.2 | Confident | 71.7 | Confident | 118 Ų | 118 | 89.3 Ų | 89.3 | 51% | 0.513 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.8 | -44.1 | 174.6 | -175.7 | -179.9 | 177.6 | -176.2 | 0 | 111.4 | M218 T219 A220 D226 | M218-K222 VanDerWaalsContact O-CB 3.32Å; M218-K222 WeakPolarHBondContact O-CB 3.41Å; M218-K222 PolarHBondContact O-N 2.88Å; T219-K222 PolarHBondContact O-N 3.17Å; A220-K222 PolarHBondContact O-N 3.5Å; K222-D226 WeakPolarHBondContact O-CB 2.97Å; K222-D226 VanDerWaalsContact O-CG 3.31Å; K222-D226 PolarHBondContact O-N 3.26Å |
| 223 | S | 72.6 | Confident | 73.7 | Confident | 80 Ų | 80 | 85.9 Ų | 85.9 | 56% | 0.559 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -64.5 | -48.1 | 176 | -175.4 | 0 | 0 | 0 | 0 | 111.5 | T219 A220 R225 D226 A227 | T219-S223 WeakPolarHBondContact O-CB 3.41Å; T219-S223 PolarHBondContact O-N 3.34Å; A220-S223 PolarHBondContact O-N 3.11Å; S223-R225 PolarHBondContact O-N 3.47Å; S223-D226 PolarHBondContact O-N 2.92Å; S223-D226 VanDerWaalsContact O-N 3.16Å; S223-A227 WeakPolarHBondContact O-CB 3.34Å; S223-A227 PolarHBondContact O-N 3.02Å |
| 224 | Y | 79.1 | Confident | 75.4 | Confident | 164 Ų | 164 | 76.8 Ų | 76.8 | 64% | 0.643 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -58.3 | -47.5 | 174.4 | 177.5 | -101.3 | 0 | 0 | 0 | 111.8 | A220 D226 A227 V228 | A220-Y224 VanDerWaalsContact O-CB 3.23Å; A220-Y224 WeakPolarHBondContact O-CB 3.47Å; A220-Y224 PolarHBondContact O-N 2.9Å; Y224-D226 VanDerWaalsContact C-N 3.32Å; Y224-D226 PolarHBondContact O-N 2.98Å; Y224-A227 PolarHBondContact O-N 3.44Å; Y224-V228 HydrophobicContact CD1-CG2 4.13Å; Y224-V228 HydrophobicContact CD2-CG2 4.44Å; Y224-V228 HydrophobicContact CE1-CG2 3.7Å; Y224-V228 HydrophobicContact CE2-CG2 4.06Å; Y224-V228 HydrophobicContact CG-CG2 4.48Å; Y224-V228 VanDerWaalsContact O-CG2 3.31Å; Y224-V228 WeakPolarHBondContact O-CG2 3.41Å; Y224-V228 PolarHBondContact O-N 3.46Å |
| 225 | R | 80.3 | Confident | 77.2 | Confident | 126 Ų | 126 | 74.9 Ų | 74.9 | 48% | 0.475 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -57 | -47.5 | 175.1 | -178.1 | -173.7 | 71.8 | -176.2 | -0.4 | 110.6 | L221 S223 A227 V228 W229 | L221-R225 WeakPolarHBondContact O-CB 3.49Å; L221-R225 PolarHBondContact O-N 3.18Å; S223-R225 PolarHBondContact O-N 3.47Å; R225-A227 VanDerWaalsContact C-N 3.35Å; R225-A227 PolarHBondContact O-N 3.17Å; R225-V228 PolarHBondContact O-N 3.39Å; R225-W229 PolarHBondContact O-N 3.41Å |
| 226 | D | 80.4 | Confident | 78.5 | Confident | 32 Ų | 32 | 68.9 Ų | 68.9 | 17% | 0.171 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63 | -39.7 | 179.4 | -78.4 | -15.4 | 0 | 0 | 0 | 112.4 | K222 S223 Y224 W229 R230 K364 | K222-D226 WeakPolarHBondContact O-CB 2.97Å; K222-D226 VanDerWaalsContact O-CG 3.31Å; K222-D226 PolarHBondContact O-N 3.26Å; S223-D226 PolarHBondContact O-N 2.92Å; S223-D226 VanDerWaalsContact O-N 3.16Å; Y224-D226 VanDerWaalsContact C-N 3.32Å; Y224-D226 PolarHBondContact O-N 2.98Å; D226-W229 PolarHBondContact O-N 3.48Å; D226-R230 PolarHBondContact O-N 3.17Å; D226-R230 VanDerWaalsContact O-N 3.1Å; D226-K364 IonicContact OD1-NZ 2.86Å; D226-K364 PolarHBondContact OD1-NZ 3.44Å; D226-K364 IonicContact OD2-NZ 3Å; D226-K364 PolarHBondContact OD2-NZ 3.19Å |
| 227 | A | 79.5 | Confident | 79.7 | Confident | 25 Ų | 25 | 66.9 Ų | 66.9 | 21% | 0.207 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S223 Y224 R225 W229 R230 F231 L378 | S223-A227 WeakPolarHBondContact O-CB 3.34Å; S223-A227 PolarHBondContact O-N 3.02Å; Y224-A227 PolarHBondContact O-N 3.44Å; R225-A227 VanDerWaalsContact C-N 3.35Å; R225-A227 PolarHBondContact O-N 3.17Å; A227-W229 VanDerWaalsContact C-N 3.34Å; A227-W229 PolarHBondContact O-N 3.03Å; A227-R230 PolarHBondContact O-N 3.32Å; A227-R230 VanDerWaalsContact O-N 3.14Å; A227-F231 WeakPolarHBondContact O-CB 3.42Å; A227-F231 PolarHBondContact O-N 3.03Å; A227-L378 HydrophobicContact CB-CD1 4.4Å; A227-L378 VanDerWaalsContact O-CD1 3.32Å; A227-L378 WeakPolarHBondContact O-CD1 3.38Å |
| 228 | V | 84.7 | Confident | 81.1 | Confident | 52 Ų | 52 | 65.3 Ų | 65.3 | 32% | 0.315 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.8 | -44.8 | 176.8 | 168.6 | 0 | 0 | 0 | 0 | 111.4 | Y224 R225 R230 F231 L232 | Y224-V228 HydrophobicContact CD1-CG2 4.13Å; Y224-V228 HydrophobicContact CD2-CG2 4.44Å; Y224-V228 HydrophobicContact CE1-CG2 3.7Å; Y224-V228 HydrophobicContact CE2-CG2 4.06Å; Y224-V228 HydrophobicContact CG-CG2 4.48Å; Y224-V228 VanDerWaalsContact O-CG2 3.31Å; Y224-V228 WeakPolarHBondContact O-CG2 3.41Å; Y224-V228 PolarHBondContact O-N 3.46Å; R225-V228 PolarHBondContact O-N 3.39Å; V228-R230 VanDerWaalsContact C-N 3.31Å; V228-R230 PolarHBondContact O-N 3.22Å; V228-F231 PolarHBondContact O-N 2.97Å; V228-L232 HydrophobicContact CG1-CD1 4.28Å; V228-L232 WeakPolarHBondContact O-CG 3.39Å; V228-L232 PolarHBondContact O-N 2.88Å |
| 229 | W | 87.5 | Confident | 82.3 | Confident | 52 Ų | 52 | 64.3 Ų | 64.3 | 20% | 0.197 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69 | -29 | 178.3 | -76 | 109.1 | 0 | 0 | 0 | 113.5 | R225 D226 A227 L232 E233 F353 V357 R360 Q361 | R225-W229 PolarHBondContact O-N 3.41Å; D226-W229 PolarHBondContact O-N 3.48Å; A227-W229 VanDerWaalsContact C-N 3.34Å; A227-W229 PolarHBondContact O-N 3.03Å; W229-L232 HydrophobicContact CE3-CD1 4.12Å; W229-L232 HydrophobicContact CZ3-CD1 4.42Å; W229-E233 PolarHBondContact O-N 3.4Å; W229-E233 VanDerWaalsContact O-N 3.08Å; W229-F353 HydrophobicContact CH2-CE2 4.09Å; W229-F353 HydrophobicContact CH2-CZ 4.31Å; W229-F353 HydrophobicContact CZ3-CE2 4.07Å; W229-F353 HydrophobicContact CZ3-CZ 4.03Å; W229-V357 HydrophobicContact CE3-CG2 4.12Å; W229-V357 HydrophobicContact CZ3-CG2 3.8Å; W229-R360 VanDerWaalsContact CD2-NH1 3.28Å; W229-R360 VanDerWaalsContact CG-CZ 3.42Å; W229-R360 VanDerWaalsContact NE1-CZ 3.33Å; W229-Q361 VanDerWaalsContact CB-NE2 3.33Å; W229-Q361 PolarHBondContact O-NE2 3.39Å |
| 230 | R | 85.2 | Confident | 83.3 | Confident | 24 Ų | 24 | 59.8 Ų | 59.8 | 9% | 0.091 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -73.9 | -40.8 | 173.5 | 177.9 | 58.7 | 177.3 | 172.4 | -0.4 | 111.2 | D226 A227 V228 L232 E233 I234 R365 P374 V377 L378 | D226-R230 PolarHBondContact O-N 3.17Å; D226-R230 VanDerWaalsContact O-N 3.1Å; A227-R230 PolarHBondContact O-N 3.32Å; A227-R230 VanDerWaalsContact O-N 3.14Å; V228-R230 VanDerWaalsContact C-N 3.31Å; V228-R230 PolarHBondContact O-N 3.22Å; R230-L232 VanDerWaalsContact C-N 3.33Å; R230-L232 PolarHBondContact O-N 2.88Å; R230-E233 VanDerWaalsContact CD-OE2 3.3Å; R230-E233 WeakPolarHBondContact CD-OE2 3.41Å; R230-E233 IonicContact CZ-OE2 3.62Å; R230-E233 IonicContact NE-OE2 2.73Å; R230-E233 VanDerWaalsContact NH1-CD 3.29Å; R230-E233 IonicContact NH1-OE1 2.84Å; R230-E233 IonicContact NH1-OE2 3.58Å; R230-E233 PolarHBondContact NH1-OE2 3.35Å; R230-E233 WeakPolarHBondContact O-CB 3.23Å; R230-E233 PolarHBondContact O-N 2.95Å; R230-I234 HydrophobicContact CG-CD1 4.35Å; R230-I234 WeakPolarHBondContact O-CG1 3.49Å; R230-I234 PolarHBondContact O-N 3.07Å; R230-I234 VanDerWaalsContact O-N 3.16Å; R230-R365 VanDerWaalsContact NH1-NH2 3.19Å; R230-P374 PolarHBondContact NH2-O 2.9Å; R230-V377 PolarHBondContact NE-O 3.25Å; R230-V377 PolarHBondContact NH2-O 2.94Å; R230-L378 HydrophobicContact CB-CD1 3.66Å; R230-L378 HydrophobicContact CG-CD1 3.56Å |
| 231 | F | 87.5 | Confident | 84.4 | Confident | 102 Ų | 102 | 57 Ų | 57 | 45% | 0.447 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.8 | -45.9 | 171.5 | 177.8 | -93.7 | 0 | 0 | 0 | 111.4 | A227 V228 E233 I234 H235 L378 | A227-F231 WeakPolarHBondContact O-CB 3.42Å; A227-F231 PolarHBondContact O-N 3.03Å; V228-F231 PolarHBondContact O-N 2.97Å; F231-E233 PolarHBondContact O-N 3.28Å; F231-I234 PolarHBondContact O-N 3.34Å; F231-H235 AromaticContact CD2-CD2 3.63Å; F231-H235 AromaticContact CD2-NE2 4Å; F231-H235 AromaticContact CE2-CD2 3.41Å; F231-H235 VanDerWaalsContact CE2-CD2 3.41Å; F231-H235 WeakPolarHBondContact CE2-CD2 3.46Å; F231-H235 AromaticContact CE2-NE2 3.59Å; F231-H235 AromaticContact CZ-CD2 3.77Å; F231-H235 PolarHBondContact O-CD2 3.17Å; F231-H235 PolarHBondContact O-N 2.93Å; F231-L378 HydrophobicContact CB-CD1 4.32Å |
| 232 | L | 87.2 | Confident | 85.3 | Confident | 39 Ų | 39 | 55.3 Ų | 55.3 | 20% | 0.204 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60 | -43.4 | 174.1 | -75.2 | 173.1 | 0 | 0 | 0 | 112 | V228 W229 R230 I234 H235 I236 F353 V357 | V228-L232 HydrophobicContact CG1-CD1 4.28Å; V228-L232 WeakPolarHBondContact O-CG 3.39Å; V228-L232 PolarHBondContact O-N 2.88Å; W229-L232 HydrophobicContact CE3-CD1 4.12Å; W229-L232 HydrophobicContact CZ3-CD1 4.42Å; R230-L232 VanDerWaalsContact C-N 3.33Å; R230-L232 PolarHBondContact O-N 2.88Å; L232-I234 PolarHBondContact O-N 2.99Å; L232-H235 PolarHBondContact O-N 3.46Å; L232-I236 WeakPolarHBondContact O-CB 3.19Å; L232-I236 WeakPolarHBondContact O-CG2 3.4Å; L232-I236 PolarHBondContact O-N 3.15Å; L232-F353 HydrophobicContact CD1-CE1 4.06Å; L232-F353 HydrophobicContact CD1-CZ 3.89Å; L232-F353 HydrophobicContact CD2-CE1 4.25Å; L232-V357 HydrophobicContact CB-CG1 4.15Å; L232-V357 HydrophobicContact CB-CG2 4.33Å |
| 233 | E | 87.3 | Confident | 86.1 | Confident | 18 Ų | 18 | 51.6 Ų | 51.6 | 8% | 0.084 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.3 | -37.8 | 176.8 | -172.7 | -173.1 | -172.5 | 0 | 0 | 112.5 | W229 R230 F231 V357 F358 Q361 R365 | W229-E233 PolarHBondContact O-N 3.4Å; W229-E233 VanDerWaalsContact O-N 3.08Å; R230-E233 VanDerWaalsContact CD-OE2 3.3Å; R230-E233 WeakPolarHBondContact CD-OE2 3.41Å; R230-E233 IonicContact CZ-OE2 3.62Å; R230-E233 IonicContact NE-OE2 2.73Å; R230-E233 VanDerWaalsContact NH1-CD 3.29Å; R230-E233 IonicContact NH1-OE1 2.84Å; R230-E233 IonicContact NH1-OE2 3.58Å; R230-E233 PolarHBondContact NH1-OE2 3.35Å; R230-E233 WeakPolarHBondContact O-CB 3.23Å; R230-E233 PolarHBondContact O-N 2.95Å; F231-E233 PolarHBondContact O-N 3.28Å; E233-V357 HydrophobicContact CB-CG1 4.02Å; E233-F358 HydrophobicContact CG-CD1 3.96Å; E233-F358 HydrophobicContact CG-CE1 3.8Å; E233-Q361 HydrophobicContact CB-CG 4.25Å; E233-Q361 HydrophobicContact CG-CG 4.22Å; E233-R365 IonicContact OE1-CZ 2.97Å; E233-R365 VanDerWaalsContact OE1-CZ 3.24Å; E233-R365 IonicContact OE1-NH1 2.64Å; E233-R365 PolarHBondContact OE1-NH1 3.19Å; E233-R365 IonicContact OE1-NH2 2.69Å; E233-R365 PolarHBondContact OE1-NH2 3.47Å; E233-R365 IonicContact OE2-CZ 2.73Å; E233-R365 IonicContact OE2-NH2 3.89Å; E233-R365 PolarHBondContact OE2-NH2 3.24Å |
| 234 | I | 85.4 | Confident | 87.1 | Confident | 29 Ų | 29 | 47.8 Ų | 47.8 | 15% | 0.149 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -76.5 | -41.3 | -179 | -63.6 | 164.7 | 0 | 0 | 0 | 111.8 | R230 F231 L232 T237 | R230-I234 HydrophobicContact CG-CD1 4.35Å; R230-I234 WeakPolarHBondContact O-CG1 3.49Å; R230-I234 PolarHBondContact O-N 3.07Å; R230-I234 VanDerWaalsContact O-N 3.16Å; F231-I234 PolarHBondContact O-N 3.34Å; L232-I234 PolarHBondContact O-N 2.99Å; I234-T237 PolarHBondContact O-OG1 3.02Å |
| 235 | H | 88.9 | Confident | 87.7 | Confident | 71 Ų | 71 | 40 Ų | 40 | 33% | 0.329 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -105.4 | -17.3 | -167.9 | -69.5 | -84.9 | 0 | 0 | 0 | 115.9 | F231 L232 T237 K238 L239 | F231-H235 AromaticContact CD2-CD2 3.63Å; F231-H235 AromaticContact CD2-NE2 4Å; F231-H235 AromaticContact CE2-CD2 3.41Å; F231-H235 VanDerWaalsContact CE2-CD2 3.41Å; F231-H235 WeakPolarHBondContact CE2-CD2 3.46Å; F231-H235 AromaticContact CE2-NE2 3.59Å; F231-H235 AromaticContact CZ-CD2 3.77Å; F231-H235 PolarHBondContact O-CD2 3.17Å; F231-H235 PolarHBondContact O-N 2.93Å; L232-H235 PolarHBondContact O-N 3.46Å; H235-T237 PolarHBondContact O-N 3.34Å; H235-K238 PolarHBondContact O-N 2.82Å; H235-L239 PolarHBondContact O-N 3.38Å; H235-L239 VanDerWaalsContact O-N 3.13Å |
| 236 | I | 88.6 | Confident | 88.3 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -54.9 | -31.8 | -177 | -171.2 | 55.2 | 0 | 0 | 0 | 112.2 | L232 L239 V240 L350 F353 Q354 F358 | L232-I236 WeakPolarHBondContact O-CB 3.19Å; L232-I236 WeakPolarHBondContact O-CG2 3.4Å; L232-I236 PolarHBondContact O-N 3.15Å; I236-L239 HydrophobicContact CD1-CD2 4.06Å; I236-L239 WeakPolarHBondContact O-CB 3.48Å; I236-L239 PolarHBondContact O-N 2.86Å; I236-V240 WeakPolarHBondContact O-CG2 3.24Å; I236-V240 PolarHBondContact O-N 3.12Å; I236-L350 HydrophobicContact CD1-CD1 3.87Å; I236-F353 HydrophobicContact CD1-CD1 3.77Å; I236-F353 HydrophobicContact CD1-CE1 4.27Å; I236-F353 HydrophobicContact CG1-CD1 4.48Å; I236-Q354 HydrophobicContact CG1-CB 3.96Å; I236-Q354 HydrophobicContact CG1-CG 4.37Å; I236-Q354 HydrophobicContact CG2-CG 4.17Å; I236-F358 HydrophobicContact CG2-CE2 4.19Å; I236-F358 HydrophobicContact CG2-CZ 4.3Å |
| 237 | T | 87 | Confident | 88.9 | Confident | 16 Ų | 16 | 36 Ų | 36 | 10% | 0.098 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.7 | -38.8 | -179.3 | 47.6 | 0 | 0 | 0 | 0 | 114.9 | I234 H235 A241 R273 F358 | I234-T237 PolarHBondContact O-OG1 3.02Å; H235-T237 PolarHBondContact O-N 3.34Å; T237-A241 PolarHBondContact O-N 3.21Å; T237-R273 VanDerWaalsContact C-NH2 3.28Å; T237-R273 PolarHBondContact O-NH2 3.32Å; T237-F358 HydrophobicContact CG2-CE2 3.95Å; T237-F358 HydrophobicContact CG2-CZ 3.63Å |
| 238 | K | 90 | Very high | 89.5 | Confident | 65 Ų | 65 | 34.8 Ų | 34.8 | 28% | 0.283 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -76.5 | -39.2 | 176.1 | -61.3 | 176 | -172.2 | -178.1 | 0 | 109.9 | H235 V240 A241 F242 L512 C516 | H235-K238 PolarHBondContact O-N 2.82Å; K238-V240 VanDerWaalsContact C-N 3.33Å; K238-V240 PolarHBondContact O-N 3.48Å; K238-A241 PolarHBondContact O-N 3.43Å; K238-F242 WeakPolarHBondContact O-CB 3.33Å; K238-F242 PolarHBondContact O-N 3.28Å; K238-L512 HydrophobicContact CB-CD1 4.06Å; K238-L512 HydrophobicContact CG-CD1 4.25Å; K238-C516 PolarHBondContact NZ-SG 2.79Å; K238-C516 VanDerWaalsContact NZ-SG 3.43Å |
| 239 | L | 90.2 | Very high | 89.8 | Confident | 88 Ų | 88 | 33.1 Ų | 33.1 | 46% | 0.461 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -60 | -42.4 | 175.3 | -173.1 | 68.3 | 0 | 0 | 0 | 111.5 | H235 I236 F242 F243 L350 | H235-L239 PolarHBondContact O-N 3.38Å; H235-L239 VanDerWaalsContact O-N 3.13Å; I236-L239 HydrophobicContact CD1-CD2 4.06Å; I236-L239 WeakPolarHBondContact O-CB 3.48Å; I236-L239 PolarHBondContact O-N 2.86Å; L239-F242 PolarHBondContact O-N 3.2Å; L239-F243 WeakPolarHBondContact O-CB 3.28Å; L239-F243 PolarHBondContact O-N 3.25Å; L239-L350 HydrophobicContact CD2-CD1 3.81Å; L239-L350 HydrophobicContact CG-CD1 4.28Å; L239-L350 HydrophobicContact CG-CD2 4.33Å |
| 240 | V | 91.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.1 | -48.1 | 174.4 | 164.2 | 0 | 0 | 0 | 0 | 111.9 | I236 K238 F242 F243 V244 L350 M351 Q354 | I236-V240 WeakPolarHBondContact O-CG2 3.24Å; I236-V240 PolarHBondContact O-N 3.12Å; K238-V240 VanDerWaalsContact C-N 3.33Å; K238-V240 PolarHBondContact O-N 3.48Å; V240-F242 VanDerWaalsContact C-N 3.33Å; V240-F242 PolarHBondContact O-N 3.4Å; V240-F243 PolarHBondContact O-N 3.14Å; V240-V244 HydrophobicContact CG1-CG2 4.4Å; V240-V244 VanDerWaalsContact O-CG2 3.28Å; V240-V244 WeakPolarHBondContact O-CG2 3.33Å; V240-V244 PolarHBondContact O-N 3.34Å; V240-L350 HydrophobicContact CB-CD2 4.38Å; V240-L350 HydrophobicContact CG2-CD2 3.77Å; V240-L350 HydrophobicContact CG2-CG 3.68Å; V240-M351 HydrophobicContact CB-SD 4.47Å; V240-M351 HydrophobicContact CG1-SD 3.35Å; V240-M351 WeakPolarHBondContact CG1-SD 3.44Å; V240-M351 HydrophobicContact CG2-SD 4.24Å; V240-Q354 HydrophobicContact CG2-CB 4.43Å |
| 241 | A | 90.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.1 | -41.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | T237 K238 V244 F245 A263 I266 L267 F508 | T237-A241 PolarHBondContact O-N 3.21Å; K238-A241 PolarHBondContact O-N 3.43Å; A241-V244 PolarHBondContact O-N 3.13Å; A241-F245 PolarHBondContact O-N 3.31Å; A241-F245 VanDerWaalsContact O-N 3.09Å; A241-A263 WeakPolarHBondContact O-CB 3.41Å; A241-I266 HydrophobicContact CB-CG2 4.1Å; A241-L267 HydrophobicContact CB-CD1 4.12Å; A241-L267 HydrophobicContact CB-CD2 3.73Å; A241-L267 HydrophobicContact CB-CG 3.74Å; A241-F508 HydrophobicContact CB-CZ 4.29Å |
| 242 | F | 92 | Very high | 89.9 | Confident | 59 Ų | 59 | 31.9 Ų | 31.9 | 26% | 0.259 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -60.5 | -43.9 | 173.3 | 179.7 | -90.3 | 0 | 0 | 0 | 112.3 | K238 L239 V240 F245 F246 L505 F508 | K238-F242 WeakPolarHBondContact O-CB 3.33Å; K238-F242 PolarHBondContact O-N 3.28Å; L239-F242 PolarHBondContact O-N 3.2Å; V240-F242 VanDerWaalsContact C-N 3.33Å; V240-F242 PolarHBondContact O-N 3.4Å; F242-F245 PolarHBondContact O-N 3.29Å; F242-F246 WeakPolarHBondContact O-CB 3.15Å; F242-F246 PolarHBondContact O-N 2.71Å; F242-L505 HydrophobicContact CE2-CD1 3.61Å; F242-L505 HydrophobicContact CE2-CG 4.27Å; F242-L505 HydrophobicContact CZ-CD1 3.68Å; F242-L505 HydrophobicContact CZ-CD2 4.45Å; F242-L505 HydrophobicContact CZ-CG 4.36Å; F242-F508 VanDerWaalsContact CA-CE1 3.43Å; F242-F508 HydrophobicContact CB-CE1 3.91Å; F242-F508 AromaticContact CD2-CD1 3.92Å; F242-F508 HydrophobicContact CD2-CD1 3.92Å; F242-F508 AromaticContact CD2-CE1 3.96Å; F242-F508 HydrophobicContact CD2-CE1 3.96Å; F242-F508 HydrophobicContact CG-CE1 4.38Å |
| 243 | F | 92.4 | Very high | 90 | Very high | 39 Ų | 39 | 30.1 Ų | 30.1 | 17% | 0.171 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.8 | -37 | -180 | -159.9 | -96.8 | 0 | 0 | 0 | 112.5 | L239 V240 F245 F246 V247 N343 W346 L347 L350 | L239-F243 WeakPolarHBondContact O-CB 3.28Å; L239-F243 PolarHBondContact O-N 3.25Å; V240-F243 PolarHBondContact O-N 3.14Å; F243-F245 VanDerWaalsContact C-N 3.3Å; F243-F245 PolarHBondContact O-N 3.21Å; F243-F246 HydrophobicContact CD2-CD1 4.32Å; F243-F246 HydrophobicContact CE2-CD1 4.02Å; F243-F246 HydrophobicContact CE2-CE1 4.46Å; F243-F246 HydrophobicContact CZ-CD1 4.46Å; F243-F246 WeakPolarHBondContact O-CB 3.28Å; F243-F246 PolarHBondContact O-N 3.21Å; F243-V247 HydrophobicContact CD1-CG2 4.01Å; F243-V247 HydrophobicContact CE1-CG2 3.85Å; F243-V247 WeakPolarHBondContact O-CG2 3.36Å; F243-V247 PolarHBondContact O-N 3.23Å; F243-N343 WeakPolarHBondContact CE1-O 3.35Å; F243-W346 HydrophobicContact CE1-CB 3.66Å; F243-W346 HydrophobicContact CE2-CB 4.43Å; F243-W346 HydrophobicContact CZ-CB 3.4Å; F243-W346 VanDerWaalsContact CZ-CB 3.4Å; F243-W346 HydrophobicContact CZ-CG 4.32Å; F243-L347 HydrophobicContact CD1-CB 3.97Å; F243-L347 HydrophobicContact CD1-CD1 4.04Å; F243-L347 HydrophobicContact CE1-CB 3.92Å; F243-L350 HydrophobicContact CB-CD2 3.54Å; F243-L350 HydrophobicContact CD1-CD2 4.27Å; F243-L350 HydrophobicContact CG-CD2 3.91Å |
| 244 | V | 93.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.9 | -43.2 | 171.8 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | V240 A241 V247 A248 F259 A263 V280 L347 | V240-V244 HydrophobicContact CG1-CG2 4.4Å; V240-V244 VanDerWaalsContact O-CG2 3.28Å; V240-V244 WeakPolarHBondContact O-CG2 3.33Å; V240-V244 PolarHBondContact O-N 3.34Å; A241-V244 PolarHBondContact O-N 3.13Å; V244-V247 PolarHBondContact O-N 3.31Å; V244-A248 PolarHBondContact O-N 2.81Å; V244-F259 HydrophobicContact CG1-CB 3.9Å; V244-F259 HydrophobicContact CG1-CD1 4.02Å; V244-F259 HydrophobicContact CG1-CG 4.26Å; V244-A263 HydrophobicContact CB-CB 4.38Å; V244-A263 HydrophobicContact CG1-CB 4.14Å; V244-V280 HydrophobicContact CG1-CG1 4.3Å; V244-V280 HydrophobicContact CG2-CG1 3.83Å; V244-L347 HydrophobicContact CG2-CD1 3.53Å; V244-L347 HydrophobicContact CG2-CD2 4.48Å |
| 245 | F | 93.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.4 | -39.4 | 176.3 | -169.6 | -101.7 | 0 | 0 | 0 | 112.5 | A241 F242 F243 V247 A248 I249 P260 A263 I460 L504 F508 | A241-F245 PolarHBondContact O-N 3.31Å; A241-F245 VanDerWaalsContact O-N 3.09Å; F242-F245 PolarHBondContact O-N 3.29Å; F243-F245 VanDerWaalsContact C-N 3.3Å; F243-F245 PolarHBondContact O-N 3.21Å; F245-V247 VanDerWaalsContact C-N 3.34Å; F245-V247 PolarHBondContact O-N 3.22Å; F245-A248 WeakPolarHBondContact O-CB 3.32Å; F245-A248 PolarHBondContact O-N 3.38Å; F245-A248 VanDerWaalsContact O-N 3.13Å; F245-I249 HydrophobicContact CD1-CD1 3.53Å; F245-I249 HydrophobicContact CD1-CG1 4.28Å; F245-I249 HydrophobicContact CE1-CD1 3.17Å; F245-I249 HydrophobicContact CE1-CG1 3.95Å; F245-I249 HydrophobicContact CZ-CD1 4.04Å; F245-I249 HydrophobicContact CZ-CG1 4.45Å; F245-I249 PolarHBondContact O-N 2.77Å; F245-I249 VanDerWaalsContact O-N 3.08Å; F245-P260 HydrophobicContact CD2-CB 4.12Å; F245-P260 HydrophobicContact CD2-CG 4.41Å; F245-P260 HydrophobicContact CE2-CB 3.96Å; F245-P260 HydrophobicContact CE2-CG 4.31Å; F245-A263 HydrophobicContact CB-CB 4.06Å; F245-A263 HydrophobicContact CD2-CB 4.5Å; F245-I460 HydrophobicContact CE2-CG2 3.52Å; F245-I460 HydrophobicContact CZ-CG2 3.74Å; F245-L504 HydrophobicContact CE1-CB 4.28Å; F245-L504 VanDerWaalsContact CE1-O 3.24Å; F245-L504 WeakPolarHBondContact CE1-O 3.38Å; F245-L504 HydrophobicContact CZ-CB 4.05Å; F245-F508 HydrophobicContact CB-CD1 4.28Å; F245-F508 HydrophobicContact CB-CD2 3.85Å; F245-F508 HydrophobicContact CB-CE1 4.24Å; F245-F508 HydrophobicContact CB-CE2 3.77Å; F245-F508 HydrophobicContact CB-CG 4.1Å; F245-F508 HydrophobicContact CB-CZ 3.97Å; F245-F508 HydrophobicContact CD1-CB 3.44Å; F245-F508 VanDerWaalsContact CD1-CB 3.44Å; F245-F508 HydrophobicContact CD1-CD1 4Å; F245-F508 AromaticContact CD1-CD2 3.71Å; F245-F508 HydrophobicContact CD1-CD2 3.71Å; F245-F508 HydrophobicContact CD1-CE2 4.48Å; F245-F508 AromaticContact CD1-CG 3.41Å; F245-F508 HydrophobicContact CD1-CG 3.41Å; F245-F508 VanDerWaalsContact CD1-CG 3.41Å; F245-F508 HydrophobicContact CD2-CB 4.49Å; F245-F508 AromaticContact CD2-CD2 3.51Å; F245-F508 HydrophobicContact CD2-CD2 3.51Å; F245-F508 AromaticContact CD2-CE2 3.98Å; F245-F508 HydrophobicContact CD2-CE2 3.98Å; F245-F508 HydrophobicContact CD2-CG 4.13Å; F245-F508 HydrophobicContact CE1-CB 3.23Å; F245-F508 HydrophobicContact CE1-CD2 4.07Å; F245-F508 AromaticContact CE1-CG 3.75Å; F245-F508 HydrophobicContact CE1-CG 3.75Å; F245-F508 HydrophobicContact CE2-CB 4.36Å; F245-F508 AromaticContact CE2-CD2 3.93Å; F245-F508 HydrophobicContact CE2-CD2 3.93Å; F245-F508 HydrophobicContact CE2-CG 4.44Å; F245-F508 HydrophobicContact CG-CB 4.08Å; F245-F508 HydrophobicContact CG-CD1 4.22Å; F245-F508 AromaticContact CG-CD2 3.4Å; F245-F508 HydrophobicContact CG-CD2 3.4Å; F245-F508 AromaticContact CG-CE2 3.84Å; F245-F508 HydrophobicContact CG-CE2 3.84Å; F245-F508 AromaticContact CG-CG 3.61Å; F245-F508 HydrophobicContact CG-CG 3.61Å; F245-F508 HydrophobicContact CG-CZ 4.42Å; F245-F508 HydrophobicContact CZ-CB 3.75Å; F245-F508 HydrophobicContact CZ-CD2 4.19Å; F245-F508 HydrophobicContact CZ-CG 4.27Å |
| 246 | F | 92.9 | Very high | 90.4 | Very high | 73 Ų | 73 | 27.2 Ų | 27.2 | 32% | 0.32 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -61.7 | -38.8 | 175.4 | 177.3 | -98.2 | 0 | 0 | 0 | 112.8 | F242 F243 A248 I249 S250 | F242-F246 WeakPolarHBondContact O-CB 3.15Å; F242-F246 PolarHBondContact O-N 2.71Å; F243-F246 HydrophobicContact CD2-CD1 4.32Å; F243-F246 HydrophobicContact CE2-CD1 4.02Å; F243-F246 HydrophobicContact CE2-CE1 4.46Å; F243-F246 HydrophobicContact CZ-CD1 4.46Å; F243-F246 WeakPolarHBondContact O-CB 3.28Å; F243-F246 PolarHBondContact O-N 3.21Å; F246-A248 VanDerWaalsContact C-N 3.26Å; F246-A248 PolarHBondContact O-N 3.41Å; F246-I249 PolarHBondContact O-N 3.02Å; F246-S250 VanDerWaalsContact CE1-OG 3.3Å; F246-S250 WeakPolarHBondContact CE1-OG 3.28Å; F246-S250 WeakPolarHBondContact CZ-OG 3.22Å; F246-S250 WeakPolarHBondContact O-CB 3.41Å; F246-S250 PolarHBondContact O-N 2.8Å; F246-S250 PolarHBondContact O-OG 2.93Å |
| 247 | V | 91.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.1 | -40.8 | 173.8 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | F243 V244 F245 E251 F259 N343 Y344 L347 | F243-V247 HydrophobicContact CD1-CG2 4.01Å; F243-V247 HydrophobicContact CE1-CG2 3.85Å; F243-V247 WeakPolarHBondContact O-CG2 3.36Å; F243-V247 PolarHBondContact O-N 3.23Å; V244-V247 PolarHBondContact O-N 3.31Å; F245-V247 VanDerWaalsContact C-N 3.34Å; F245-V247 PolarHBondContact O-N 3.22Å; V247-E251 PolarHBondContact O-N 3.44Å; V247-F259 HydrophobicContact CG1-CD2 4.3Å; V247-F259 HydrophobicContact CG1-CE2 4.14Å; V247-N343 HydrophobicContact CG2-CB 4.17Å; V247-Y344 HydrophobicContact CG1-CD1 4.45Å; V247-Y344 HydrophobicContact CG1-CE1 4.11Å; V247-L347 HydrophobicContact CG2-CB 4.39Å; V247-L347 HydrophobicContact CG2-CD2 4.47Å |
| 248 | A | 91.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.2 | -42.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V244 F245 F246 E251 F259 P260 Y464 | V244-A248 PolarHBondContact O-N 2.81Å; F245-A248 WeakPolarHBondContact O-CB 3.32Å; F245-A248 PolarHBondContact O-N 3.38Å; F245-A248 VanDerWaalsContact O-N 3.13Å; F246-A248 VanDerWaalsContact C-N 3.26Å; F246-A248 PolarHBondContact O-N 3.41Å; A248-E251 CarbonylContact O-C 3.57Å; A248-E251 VanDerWaalsContact O-C 3.32Å; A248-E251 VanDerWaalsContact O-O 3.09Å; A248-F259 HydrophobicContact CB-CB 3.99Å; A248-P260 HydrophobicContact CB-CG 3.82Å; A248-Y464 HydrophobicContact CB-CE2 3.84Å; A248-Y464 WeakPolarHBondContact O-CE2 3.41Å; A248-Y464 PolarHBondContact O-OH 2.84Å |
| 249 | I | 90.9 | Very high | 90.7 | Very high | 18 Ų | 18 | 28.2 Ų | 28.2 | 9% | 0.092 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.1 | -38.4 | 178 | -67.2 | 167.4 | 0 | 0 | 0 | 111.9 | F245 F246 E251 V501 L504 L505 | F245-I249 HydrophobicContact CD1-CD1 3.53Å; F245-I249 HydrophobicContact CD1-CG1 4.28Å; F245-I249 HydrophobicContact CE1-CD1 3.17Å; F245-I249 HydrophobicContact CE1-CG1 3.95Å; F245-I249 HydrophobicContact CZ-CD1 4.04Å; F245-I249 HydrophobicContact CZ-CG1 4.45Å; F245-I249 PolarHBondContact O-N 2.77Å; F245-I249 VanDerWaalsContact O-N 3.08Å; F246-I249 PolarHBondContact O-N 3.02Å; I249-E251 PolarHBondContact O-N 3.04Å; I249-V501 HydrophobicContact CG2-CB 4.43Å; I249-V501 HydrophobicContact CG2-CG2 4.07Å; I249-L504 HydrophobicContact CD1-CB 4.13Å; I249-L504 HydrophobicContact CG1-CB 4.43Å; I249-L505 HydrophobicContact CD1-CB 4.04Å; I249-L505 HydrophobicContact CD1-CD1 4.09Å |
| 250 | S | 88.7 | Confident | 90.8 | Very high | 55 Ų | 55 | 24 Ų | 24 | 39% | 0.385 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -63.8 | -31.4 | -176.3 | -61.7 | 0 | 0 | 0 | 0 | 112.4 | F246 N343 | F246-S250 VanDerWaalsContact CE1-OG 3.3Å; F246-S250 WeakPolarHBondContact CE1-OG 3.28Å; F246-S250 WeakPolarHBondContact CZ-OG 3.22Å; F246-S250 WeakPolarHBondContact O-CB 3.41Å; F246-S250 PolarHBondContact O-N 2.8Å; F246-S250 PolarHBondContact O-OG 2.93Å; S250-N343 VanDerWaalsContact CB-ND2 3.32Å; S250-N343 WeakPolarHBondContact CB-ND2 3.45Å |
| 251 | E | 87.7 | Confident | 90.8 | Very high | 45 Ų | 45 | 27.5 Ų | 27.5 | 21% | 0.21 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -136.8 | 93.4 | 176.4 | -176.3 | -174.4 | -157.9 | 0 | 0 | 109.2 | V247 A248 I249 S253 N256 K291 Y340 Y344 | V247-E251 PolarHBondContact O-N 3.44Å; A248-E251 CarbonylContact O-C 3.57Å; A248-E251 VanDerWaalsContact O-C 3.32Å; A248-E251 VanDerWaalsContact O-O 3.09Å; I249-E251 PolarHBondContact O-N 3.04Å; E251-S253 PolarHBondContact O-N 2.88Å; E251-S253 VanDerWaalsContact O-N 3.14Å; E251-N256 PolarHBondContact O-ND2 2.91Å; E251-K291 IonicContact OE1-NZ 3.58Å; E251-K291 PolarHBondContact OE1-NZ 2.96Å; E251-K291 IonicContact OE2-NZ 2.97Å; E251-K291 PolarHBondContact OE2-NZ 3.26Å; E251-Y340 WeakPolarHBondContact OE1-CE2 3.46Å; E251-Y344 PolarHBondContact OE2-OH 2.78Å; E251-Y344 VanDerWaalsContact OE2-OH 3.12Å |
| 252 | V | 87.7 | Confident | 90.9 | Very high | 52 Ų | 52 | 28.8 Ų | 28.8 | 32% | 0.315 | 16% | 0.155 | S | C | . | . | trans | -70.4 | 110.2 | 177.4 | -174 | 0 | 0 | 0 | 0 | 108.2 | C467 V468 V501 | V252-C467 HydrophobicContact CG1-CB 4.21Å; V252-V468 HydrophobicContact CG1-CG2 3.83Å; V252-V501 HydrophobicContact CG2-CB 4.07Å; V252-V501 HydrophobicContact CG2-CG1 3.6Å; V252-V501 HydrophobicContact CG2-CG2 4Å | ||
| 253 | S | 89.1 | Confident | 90.9 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.014 | 14% | 0.142 | C | C | . | . | trans | -150.9 | 159.2 | 179.8 | 61.2 | 0 | 0 | 0 | 0 | 111.2 | E251 V255 N256 G330 Y464 | E251-S253 PolarHBondContact O-N 2.88Å; E251-S253 VanDerWaalsContact O-N 3.14Å; S253-V255 VanDerWaalsContact C-N 3.34Å; S253-V255 PolarHBondContact O-N 3.29Å; S253-V255 WeakPolarHBondContact OG-CG2 3.5Å; S253-N256 PolarHBondContact O-N 3.45Å; S253-N256 WeakPolarHBondContact OG-CB 3.29Å; S253-N256 PolarHBondContact OG-ND2 3.25Å; S253-G330 VanDerWaalsContact CB-CA 3.49Å; S253-Y464 PolarHBondContact N-OH 3.22Å; S253-Y464 PolarHBondContact O-OH 3.35Å | ||
| 254 | A | 87.9 | Confident | 90.9 | Very high | 25 Ų | 25 | 24.6 Ų | 24.6 | 21% | 0.207 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -61 | -40.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | N256 T257 W328 V468 | A254-N256 VanDerWaalsContact C-N 3.27Å; A254-N256 PolarHBondContact O-N 3.22Å; A254-T257 VanDerWaalsContact O-CB 3.24Å; A254-T257 WeakPolarHBondContact O-CB 3.32Å; A254-T257 PolarHBondContact O-N 3.1Å; A254-T257 PolarHBondContact O-OG1 3.22Å; A254-W328 HydrophobicContact CB-CD2 4.12Å; A254-W328 HydrophobicContact CB-CE3 3.88Å; A254-W328 HydrophobicContact CB-CH2 3.61Å; A254-W328 HydrophobicContact CB-CZ2 3.84Å; A254-W328 HydrophobicContact CB-CZ3 3.63Å; A254-W328 PolarHBondContact N-O 3.45Å; A254-W328 VanDerWaalsContact N-O 3.13Å; A254-V468 HydrophobicContact CB-CG1 4.43Å |
| 255 | V | 89 | Confident | 90.8 | Very high | 32 Ų | 32 | 26.7 Ų | 26.7 | 19% | 0.194 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -65.6 | -27.9 | 178.1 | -70.9 | 0 | 0 | 0 | 0 | 113.6 | S253 T257 W283 I287 A329 F331 | S253-V255 VanDerWaalsContact C-N 3.34Å; S253-V255 PolarHBondContact O-N 3.29Å; S253-V255 WeakPolarHBondContact OG-CG2 3.5Å; V255-T257 VanDerWaalsContact C-N 3.29Å; V255-T257 PolarHBondContact O-N 2.85Å; V255-W283 PolarHBondContact O-NE1 3.31Å; V255-I287 HydrophobicContact CB-CD1 4.31Å; V255-I287 HydrophobicContact CB-CG1 4.44Å; V255-A329 WeakPolarHBondContact CG1-O 3.32Å; V255-A329 WeakPolarHBondContact CG2-O 3.29Å; V255-F331 HydrophobicContact CG1-CE2 4.14Å; V255-F331 HydrophobicContact CG1-CZ 4.22Å |
| 256 | N | 91.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -81.3 | -6.8 | 178.8 | -72.4 | -8.3 | 0 | 0 | 0 | 113.3 | E251 S253 A254 L258 F259 P260 Y344 Y464 | E251-N256 PolarHBondContact O-ND2 2.91Å; S253-N256 PolarHBondContact O-N 3.45Å; S253-N256 WeakPolarHBondContact OG-CB 3.29Å; S253-N256 PolarHBondContact OG-ND2 3.25Å; A254-N256 VanDerWaalsContact C-N 3.27Å; A254-N256 PolarHBondContact O-N 3.22Å; N256-L258 PolarHBondContact O-N 3.38Å; N256-L258 VanDerWaalsContact O-N 3.11Å; N256-F259 HydrophobicContact CB-CD2 3.94Å; N256-F259 HydrophobicContact CB-CE2 4.44Å; N256-F259 WeakPolarHBondContact O-CB 3.43Å; N256-F259 PolarHBondContact O-N 3.07Å; N256-F259 VanDerWaalsContact OD1-CE2 3.23Å; N256-F259 WeakPolarHBondContact OD1-CE2 3.32Å; N256-P260 WeakPolarHBondContact O-CD 3.3Å; N256-Y344 PolarHBondContact ND2-OH 2.98Å; N256-Y344 PolarHBondContact OD1-OH 3.44Å; N256-Y464 VanDerWaalsContact CB-OH 3.26Å; N256-Y464 WeakPolarHBondContact CB-OH 3.46Å |
| 257 | T | 88.3 | Confident | 90.4 | Very high | 38 Ų | 38 | 24.7 Ų | 24.7 | 23% | 0.233 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -57.9 | -26.8 | 179.5 | -49.6 | 0 | 0 | 0 | 0 | 113.7 | A254 V255 P260 Y464 V465 | A254-T257 VanDerWaalsContact O-CB 3.24Å; A254-T257 WeakPolarHBondContact O-CB 3.32Å; A254-T257 PolarHBondContact O-N 3.1Å; A254-T257 PolarHBondContact O-OG1 3.22Å; V255-T257 VanDerWaalsContact C-N 3.29Å; V255-T257 PolarHBondContact O-N 2.85Å; T257-P260 WeakPolarHBondContact O-CD 3.48Å; T257-Y464 HydrophobicContact CG2-CD1 4.26Å; T257-Y464 HydrophobicContact CG2-CE1 4.37Å; T257-V465 HydrophobicContact CG2-CG2 3.93Å |
| 258 | L | 91.4 | Very high | 90.1 | Very high | 65 Ų | 65 | 26.4 Ų | 26.4 | 34% | 0.34 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -76.5 | -22.1 | 175.8 | -64 | -175.5 | 0 | 0 | 0 | 113.4 | N256 L261 F262 W283 | N256-L258 PolarHBondContact O-N 3.38Å; N256-L258 VanDerWaalsContact O-N 3.11Å; L258-L261 HydrophobicContact CD2-CD2 4.4Å; L258-L261 WeakPolarHBondContact O-CB 3.47Å; L258-L261 PolarHBondContact O-N 2.91Å; L258-F262 HydrophobicContact CB-CD2 4.1Å; L258-F262 HydrophobicContact CB-CE2 3.75Å; L258-F262 HydrophobicContact CB-CZ 4.49Å; L258-F262 HydrophobicContact CD1-CE2 4.49Å; L258-F262 WeakPolarHBondContact O-CD2 3.35Å; L258-F262 WeakPolarHBondContact O-CG 2.93Å; L258-F262 PolarHBondContact O-N 3.06Å; L258-W283 HydrophobicContact CD1-CD2 4.16Å; L258-W283 HydrophobicContact CD1-CH2 4.14Å; L258-W283 HydrophobicContact CD1-CZ2 3.67Å |
| 259 | F | 93.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.9 | -44.5 | -178.9 | -69.6 | -44.2 | 0 | 0 | 0 | 113.7 | V244 V247 A248 N256 L261 F262 A263 V280 W283 A284 I287 Y344 | V244-F259 HydrophobicContact CG1-CB 3.9Å; V244-F259 HydrophobicContact CG1-CD1 4.02Å; V244-F259 HydrophobicContact CG1-CG 4.26Å; V247-F259 HydrophobicContact CG1-CD2 4.3Å; V247-F259 HydrophobicContact CG1-CE2 4.14Å; A248-F259 HydrophobicContact CB-CB 3.99Å; N256-F259 HydrophobicContact CB-CD2 3.94Å; N256-F259 HydrophobicContact CB-CE2 4.44Å; N256-F259 WeakPolarHBondContact O-CB 3.43Å; N256-F259 PolarHBondContact O-N 3.07Å; N256-F259 VanDerWaalsContact OD1-CE2 3.23Å; N256-F259 WeakPolarHBondContact OD1-CE2 3.32Å; F259-L261 VanDerWaalsContact C-N 3.3Å; F259-L261 PolarHBondContact O-N 3.45Å; F259-F262 HydrophobicContact CD1-CD2 4.43Å; F259-F262 PolarHBondContact O-N 3.06Å; F259-A263 WeakPolarHBondContact O-CB 3.4Å; F259-A263 PolarHBondContact O-N 2.89Å; F259-V280 HydrophobicContact CD1-CG1 4.41Å; F259-V280 HydrophobicContact CE1-CG1 4.27Å; F259-W283 AromaticContact CE1-CD1 3.75Å; F259-W283 AromaticContact CZ-CD1 3.98Å; F259-A284 HydrophobicContact CE1-CB 4.17Å; F259-A284 HydrophobicContact CZ-CB 4.01Å; F259-I287 HydrophobicContact CE2-CD1 3.8Å; F259-I287 HydrophobicContact CZ-CD1 3.66Å; F259-Y344 AromaticContact CE2-CE1 3.89Å; F259-Y344 HydrophobicContact CE2-CE1 3.89Å; F259-Y344 HydrophobicContact CZ-CE1 4.08Å |
| 260 | P | 91.7 | Very high | 89.2 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54.7 | -45 | 170.9 | -29.1 | 36.3 | 0 | 0 | 0 | 113 | F245 A248 N256 T257 A263 I264 Y464 | F245-P260 HydrophobicContact CD2-CB 4.12Å; F245-P260 HydrophobicContact CD2-CG 4.41Å; F245-P260 HydrophobicContact CE2-CB 3.96Å; F245-P260 HydrophobicContact CE2-CG 4.31Å; A248-P260 HydrophobicContact CB-CG 3.82Å; N256-P260 WeakPolarHBondContact O-CD 3.3Å; T257-P260 WeakPolarHBondContact O-CD 3.48Å; P260-A263 PolarHBondContact O-N 3.4Å; P260-I264 WeakPolarHBondContact O-CB 3.44Å; P260-I264 WeakPolarHBondContact O-CD1 3.12Å; P260-I264 VanDerWaalsContact O-CG1 3.31Å; P260-I264 WeakPolarHBondContact O-CG1 3.38Å; P260-I264 PolarHBondContact O-N 2.92Å; P260-Y464 HydrophobicContact CG-CD1 4.01Å; P260-Y464 HydrophobicContact CG-CD2 3.85Å; P260-Y464 HydrophobicContact CG-CE1 4.32Å; P260-Y464 HydrophobicContact CG-CE2 4.15Å; P260-Y464 HydrophobicContact CG-CG 3.77Å |
| 261 | L | 91.9 | Very high | 88.9 | Confident | 72 Ų | 72 | 42.7 Ų | 42.7 | 38% | 0.377 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.1 | -48.1 | 176.2 | -176 | 74.1 | 0 | 0 | 0 | 110.9 | L258 F259 I264 L265 | L258-L261 HydrophobicContact CD2-CD2 4.4Å; L258-L261 WeakPolarHBondContact O-CB 3.47Å; L258-L261 PolarHBondContact O-N 2.91Å; F259-L261 VanDerWaalsContact C-N 3.3Å; F259-L261 PolarHBondContact O-N 3.45Å; L261-I264 PolarHBondContact O-N 2.89Å; L261-L265 HydrophobicContact CG-CD1 4.04Å; L261-L265 WeakPolarHBondContact O-CB 3.41Å; L261-L265 VanDerWaalsContact O-CG 3.24Å; L261-L265 WeakPolarHBondContact O-CG 3.37Å; L261-L265 PolarHBondContact O-N 2.79Å |
| 262 | F | 92.6 | Very high | 88.8 | Confident | 27 Ų | 27 | 42.4 Ų | 42.4 | 12% | 0.118 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.2 | -41 | 178.1 | -71.3 | -48.2 | 0 | 0 | 0 | 113.1 | L258 F259 I264 L265 I266 L276 L279 V280 W283 | L258-F262 HydrophobicContact CB-CD2 4.1Å; L258-F262 HydrophobicContact CB-CE2 3.75Å; L258-F262 HydrophobicContact CB-CZ 4.49Å; L258-F262 HydrophobicContact CD1-CE2 4.49Å; L258-F262 WeakPolarHBondContact O-CD2 3.35Å; L258-F262 WeakPolarHBondContact O-CG 2.93Å; L258-F262 PolarHBondContact O-N 3.06Å; F259-F262 HydrophobicContact CD1-CD2 4.43Å; F259-F262 PolarHBondContact O-N 3.06Å; F262-I264 VanDerWaalsContact C-N 3.3Å; F262-I264 PolarHBondContact O-N 3.45Å; F262-L265 PolarHBondContact O-N 2.92Å; F262-I266 WeakPolarHBondContact O-CB 3.22Å; F262-I266 WeakPolarHBondContact O-CD1 3.37Å; F262-I266 WeakPolarHBondContact O-CG1 3.08Å; F262-I266 PolarHBondContact O-N 3.26Å; F262-L276 HydrophobicContact CD1-CD2 4.47Å; F262-L279 HydrophobicContact CE1-CB 4.42Å; F262-V280 HydrophobicContact CB-CG2 3.36Å; F262-V280 HydrophobicContact CD1-CG2 4.26Å; F262-V280 HydrophobicContact CD2-CG2 3.72Å; F262-V280 HydrophobicContact CG-CG2 3.54Å; F262-W283 HydrophobicContact CE2-CB 4.29Å; F262-W283 HydrophobicContact CE2-CG 4.27Å |
| 263 | A | 92.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.1 | -42.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | A241 V244 F245 F259 P260 L267 F508 | A241-A263 WeakPolarHBondContact O-CB 3.41Å; V244-A263 HydrophobicContact CB-CB 4.38Å; V244-A263 HydrophobicContact CG1-CB 4.14Å; F245-A263 HydrophobicContact CB-CB 4.06Å; F245-A263 HydrophobicContact CD2-CB 4.5Å; F259-A263 WeakPolarHBondContact O-CB 3.4Å; F259-A263 PolarHBondContact O-N 2.89Å; P260-A263 PolarHBondContact O-N 3.4Å; A263-L267 WeakPolarHBondContact O-CG 3.32Å; A263-L267 PolarHBondContact O-N 3.16Å; A263-F508 HydrophobicContact CB-CE2 3.81Å; A263-F508 HydrophobicContact CB-CZ 4.23Å |
| 264 | I | 91.7 | Very high | 88.3 | Confident | 10 Ų | 10 | 45.6 Ų | 45.6 | 5% | 0.051 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63 | -47.1 | 174.3 | -72.8 | 166.8 | 0 | 0 | 0 | 111.2 | P260 L261 F262 I266 L267 T268 A457 I460 V461 F511 | P260-I264 WeakPolarHBondContact O-CB 3.44Å; P260-I264 WeakPolarHBondContact O-CD1 3.12Å; P260-I264 VanDerWaalsContact O-CG1 3.31Å; P260-I264 WeakPolarHBondContact O-CG1 3.38Å; P260-I264 PolarHBondContact O-N 2.92Å; L261-I264 PolarHBondContact O-N 2.89Å; F262-I264 VanDerWaalsContact C-N 3.3Å; F262-I264 PolarHBondContact O-N 3.45Å; I264-I266 PolarHBondContact O-N 3.13Å; I264-L267 PolarHBondContact O-N 3.41Å; I264-T268 WeakPolarHBondContact O-CG2 3.38Å; I264-T268 PolarHBondContact O-N 3.44Å; I264-T268 VanDerWaalsContact O-N 3.09Å; I264-T268 PolarHBondContact O-OG1 3.35Å; I264-A457 HydrophobicContact CD1-CB 4.29Å; I264-A457 HydrophobicContact CG2-CB 3.76Å; I264-I460 HydrophobicContact CD1-CB 4.31Å; I264-I460 HydrophobicContact CD1-CG2 4.18Å; I264-V461 HydrophobicContact CD1-CG2 3.63Å; I264-F511 HydrophobicContact CB-CE1 4.15Å; I264-F511 HydrophobicContact CB-CZ 4.17Å; I264-F511 HydrophobicContact CG1-CD1 4.32Å; I264-F511 HydrophobicContact CG1-CE1 3.93Å; I264-F511 HydrophobicContact CG1-CZ 4.11Å; I264-F511 HydrophobicContact CG2-CE1 4.13Å; I264-F511 HydrophobicContact CG2-CE2 4.31Å; I264-F511 HydrophobicContact CG2-CZ 3.64Å |
| 265 | L | 91.3 | Very high | 88.2 | Confident | 45 Ų | 45 | 49.5 Ų | 49.5 | 24% | 0.236 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 179.9 | -69 | 173.3 | 0 | 0 | 0 | 112.4 | L261 F262 L267 T268 F269 L276 | L261-L265 HydrophobicContact CG-CD1 4.04Å; L261-L265 WeakPolarHBondContact O-CB 3.41Å; L261-L265 VanDerWaalsContact O-CG 3.24Å; L261-L265 WeakPolarHBondContact O-CG 3.37Å; L261-L265 PolarHBondContact O-N 2.79Å; F262-L265 PolarHBondContact O-N 2.92Å; L265-L267 PolarHBondContact O-N 3.41Å; L265-T268 WeakPolarHBondContact CA-OG1 3.38Å; L265-T268 PolarHBondContact O-N 3.45Å; L265-T268 PolarHBondContact O-OG1 2.9Å; L265-F269 HydrophobicContact CD2-CD2 3.71Å; L265-F269 HydrophobicContact CD2-CE2 3.56Å; L265-F269 PolarHBondContact O-N 3.49Å; L265-L276 VanDerWaalsContact C-CD1 3.5Å; L265-L276 HydrophobicContact CB-CD1 3.78Å; L265-L276 HydrophobicContact CB-CD2 4.02Å; L265-L276 HydrophobicContact CD1-CD2 4.21Å; L265-L276 WeakPolarHBondContact O-CD1 3.05Å |
| 266 | I | 90.3 | Very high | 88.2 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.9 | -34.9 | 178.3 | -73.7 | 165.1 | 0 | 0 | 0 | 111.3 | A241 F262 I264 R273 L276 V280 | A241-I266 HydrophobicContact CB-CG2 4.1Å; F262-I266 WeakPolarHBondContact O-CB 3.22Å; F262-I266 WeakPolarHBondContact O-CD1 3.37Å; F262-I266 WeakPolarHBondContact O-CG1 3.08Å; F262-I266 PolarHBondContact O-N 3.26Å; I264-I266 PolarHBondContact O-N 3.13Å; I266-R273 HydrophobicContact CG2-CG 4.48Å; I266-L276 HydrophobicContact CG1-CB 3.72Å; I266-L276 HydrophobicContact CG1-CD1 4.42Å; I266-V280 HydrophobicContact CD1-CG2 3.99Å |
| 267 | L | 87.6 | Confident | 88 | Confident | 29 Ų | 29 | 48.7 Ų | 48.7 | 15% | 0.152 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -81.3 | -35.7 | -179.7 | -67.8 | 174.7 | 0 | 0 | 0 | 112.7 | A241 A263 I264 L265 F508 F511 L512 | A241-L267 HydrophobicContact CB-CD1 4.12Å; A241-L267 HydrophobicContact CB-CD2 3.73Å; A241-L267 HydrophobicContact CB-CG 3.74Å; A263-L267 WeakPolarHBondContact O-CG 3.32Å; A263-L267 PolarHBondContact O-N 3.16Å; I264-L267 PolarHBondContact O-N 3.41Å; L265-L267 PolarHBondContact O-N 3.41Å; L267-F508 HydrophobicContact CD1-CE2 4.09Å; L267-F508 HydrophobicContact CD1-CZ 3.73Å; L267-F511 HydrophobicContact CB-CE1 4.13Å; L267-F511 HydrophobicContact CD1-CD1 3.93Å; L267-F511 HydrophobicContact CD1-CE1 3.92Å; L267-L512 HydrophobicContact CD1-CB 4.45Å; L267-L512 HydrophobicContact CD1-CD1 3.68Å; L267-L512 HydrophobicContact CD2-CD1 3.49Å; L267-L512 VanDerWaalsContact CD2-CD1 3.49Å; L267-L512 HydrophobicContact CG-CD1 4.24Å |
| 268 | T | 85.8 | Confident | 88 | Confident | 36 Ų | 36 | 49.3 Ų | 49.3 | 22% | 0.221 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -81.6 | -42 | -177.4 | 52.1 | 0 | 0 | 0 | 0 | 112.9 | I264 L265 I453 F511 | I264-T268 WeakPolarHBondContact O-CG2 3.38Å; I264-T268 PolarHBondContact O-N 3.44Å; I264-T268 VanDerWaalsContact O-N 3.09Å; I264-T268 PolarHBondContact O-OG1 3.35Å; L265-T268 WeakPolarHBondContact CA-OG1 3.38Å; L265-T268 PolarHBondContact O-N 3.45Å; L265-T268 PolarHBondContact O-OG1 2.9Å; T268-I453 HydrophobicContact CG2-CG2 4.24Å; T268-F511 HydrophobicContact CG2-CZ 3.78Å |
| 269 | F | 84.8 | Confident | 87.9 | Confident | 119 Ų | 119 | 49.6 Ų | 49.6 | 52% | 0.522 | 25% | 0.25 | S | S | . | . | trans | -103.7 | 82.5 | -173.7 | -65.3 | -72 | 0 | 0 | 0 | 112.9 | L265 H271 A272 R273 L276 | L265-F269 HydrophobicContact CD2-CD2 3.71Å; L265-F269 HydrophobicContact CD2-CE2 3.56Å; L265-F269 PolarHBondContact O-N 3.49Å; F269-H271 VanDerWaalsContact C-N 3.32Å; F269-H271 PolarHBondContact O-N 2.93Å; F269-A272 HydrophobicContact CB-CB 4.12Å; F269-A272 PolarHBondContact O-N 2.89Å; F269-R273 PolarHBondContact O-N 3.36Å; F269-R273 VanDerWaalsContact O-N 3.13Å; F269-L276 HydrophobicContact CB-CD1 4.34Å | ||
| 270 | R | 79.6 | Confident | 87.8 | Confident | 114 Ų | 114 | 49.6 Ų | 49.6 | 43% | 0.43 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -36.2 | -179 | -171 | 177.1 | 177.4 | 124.1 | 5.6 | 114.4 | R273 E375 | R270-R273 WeakPolarHBondContact O-CB 3.36Å; R270-E375 IonicContact CZ-OE1 3.86Å; R270-E375 IonicContact CZ-OE2 3.95Å; R270-E375 IonicContact NE-OE1 3.37Å; R270-E375 IonicContact NE-OE2 3.4Å; R270-E375 IonicContact NH1-OE2 3.39Å; R270-E375 IonicContact NH2-OE1 3.88Å; R270-E375 PolarHBondContact NH2-OE1 2.87Å; R270-E375 IonicContact NH2-OE2 2.64Å; R270-E375 PolarHBondContact NH2-OE2 2.8Å |
| 271 | H | 81.3 | Confident | 87.8 | Confident | 183 Ų | 183 | 49.6 Ų | 49.6 | 85% | 0.847 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -37.1 | -179.8 | -63.6 | -67.8 | 0 | 0 | 0 | 112.7 | F269 R273 | F269-H271 VanDerWaalsContact C-N 3.32Å; F269-H271 PolarHBondContact O-N 2.93Å; H271-R273 VanDerWaalsContact C-N 3.25Å; H271-R273 PolarHBondContact O-N 3.11Å |
| 272 | A | 85 | Confident | 87.7 | Confident | 39 Ų | 39 | 49.7 Ų | 49.7 | 32% | 0.322 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -0.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | F269 S274 L275 L276 | F269-A272 HydrophobicContact CB-CB 4.12Å; F269-A272 PolarHBondContact O-N 2.89Å; A272-S274 VanDerWaalsContact C-N 3.34Å; A272-S274 PolarHBondContact O-N 3.4Å; A272-L275 WeakPolarHBondContact O-CB 3.37Å; A272-L275 PolarHBondContact O-N 3.01Å; A272-L275 VanDerWaalsContact O-N 3.07Å; A272-L276 HydrophobicContact CB-CD1 4.18Å; A272-L276 HydrophobicContact CB-CG 4.39Å; A272-L276 WeakPolarHBondContact O-CG 3.43Å; A272-L276 PolarHBondContact O-N 2.79Å |
| 273 | R | 85.2 | Confident | 87.7 | Confident | 37 Ų | 37 | 52.9 Ų | 52.9 | 14% | 0.14 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -50.1 | -48.4 | -174.5 | -175.9 | -159.1 | 176.9 | 66.2 | 32.3 | 113.8 | T237 I266 F269 R270 H271 L275 L276 C277 | T237-R273 VanDerWaalsContact C-NH2 3.28Å; T237-R273 PolarHBondContact O-NH2 3.32Å; I266-R273 HydrophobicContact CG2-CG 4.48Å; F269-R273 PolarHBondContact O-N 3.36Å; F269-R273 VanDerWaalsContact O-N 3.13Å; R270-R273 WeakPolarHBondContact O-CB 3.36Å; H271-R273 VanDerWaalsContact C-N 3.25Å; H271-R273 PolarHBondContact O-N 3.11Å; R273-L275 VanDerWaalsContact C-N 3.3Å; R273-L275 PolarHBondContact O-N 3.29Å; R273-L276 PolarHBondContact O-N 3.17Å; R273-C277 WeakPolarHBondContact O-CB 3.47Å; R273-C277 PolarHBondContact O-N 3.24Å; R273-C277 PolarHBondContact O-SG 2.99Å |
| 274 | S | 81.7 | Confident | 87.7 | Confident | 84 Ų | 84 | 52.9 Ų | 52.9 | 59% | 0.587 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -63.4 | -40.9 | -177.8 | -163.8 | 0 | 0 | 0 | 0 | 111.3 | A272 F278 | A272-S274 VanDerWaalsContact C-N 3.34Å; A272-S274 PolarHBondContact O-N 3.4Å; S274-F278 WeakPolarHBondContact O-CB 3.26Å; S274-F278 PolarHBondContact O-N 3.4Å |
| 275 | L | 86.8 | Confident | 87.7 | Confident | 106 Ų | 106 | 52.9 Ų | 52.9 | 56% | 0.555 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -66.4 | -44.8 | 176.7 | -177.1 | 116.8 | 0 | 0 | 0 | 111.3 | A272 R273 F278 L279 | A272-L275 WeakPolarHBondContact O-CB 3.37Å; A272-L275 PolarHBondContact O-N 3.01Å; A272-L275 VanDerWaalsContact O-N 3.07Å; R273-L275 VanDerWaalsContact C-N 3.3Å; R273-L275 PolarHBondContact O-N 3.29Å; L275-F278 WeakPolarHBondContact O-CB 3.42Å; L275-F278 PolarHBondContact O-N 3.38Å; L275-F278 VanDerWaalsContact O-N 3.16Å; L275-L279 HydrophobicContact CD2-CD1 4.01Å; L275-L279 HydrophobicContact CG-CD1 4.47Å; L275-L279 WeakPolarHBondContact O-CG 3.44Å; L275-L279 PolarHBondContact O-N 3.45Å |
| 276 | L | 88.7 | Confident | 87.8 | Confident | 13 Ų | 13 | 53 Ų | 53 | 7% | 0.068 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64 | -43.2 | 178.1 | -69.7 | 167.6 | 0 | 0 | 0 | 112.4 | F262 L265 I266 F269 A272 R273 F278 L279 V280 | F262-L276 HydrophobicContact CD1-CD2 4.47Å; L265-L276 VanDerWaalsContact C-CD1 3.5Å; L265-L276 HydrophobicContact CB-CD1 3.78Å; L265-L276 HydrophobicContact CB-CD2 4.02Å; L265-L276 HydrophobicContact CD1-CD2 4.21Å; L265-L276 WeakPolarHBondContact O-CD1 3.05Å; I266-L276 HydrophobicContact CG1-CB 3.72Å; I266-L276 HydrophobicContact CG1-CD1 4.42Å; F269-L276 HydrophobicContact CB-CD1 4.34Å; A272-L276 HydrophobicContact CB-CD1 4.18Å; A272-L276 HydrophobicContact CB-CG 4.39Å; A272-L276 WeakPolarHBondContact O-CG 3.43Å; A272-L276 PolarHBondContact O-N 2.79Å; R273-L276 PolarHBondContact O-N 3.17Å; L276-F278 VanDerWaalsContact C-N 3.27Å; L276-F278 PolarHBondContact O-N 3.13Å; L276-L279 PolarHBondContact O-N 3.2Å; L276-V280 WeakPolarHBondContact O-CG2 3.35Å; L276-V280 PolarHBondContact O-N 3.1Å |
| 277 | C | 87.4 | Confident | 87.8 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.014 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.2 | -41.9 | 172.5 | -78.5 | 0 | 0 | 0 | 0 | 111.3 | R273 V280 C281 M351 | R273-C277 WeakPolarHBondContact O-CB 3.47Å; R273-C277 PolarHBondContact O-N 3.24Å; R273-C277 PolarHBondContact O-SG 2.99Å; C277-V280 PolarHBondContact O-N 3.41Å; C277-C281 PolarHBondContact O-N 3.47Å; C277-M351 HydrophobicContact CB-CE 3.59Å; C277-M351 WeakPolarHBondContact O-CE 3.46Å |
| 278 | F | 87.4 | Confident | 88 | Confident | 52 Ų | 52 | 52 Ų | 52 | 23% | 0.228 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 176.3 | 175.6 | -114.2 | 0 | 0 | 0 | 112.4 | L93 I94 S274 L275 L276 V280 C281 I282 | L93-F278 HydrophobicContact CB-CD2 4.43Å; I94-F278 HydrophobicContact CD1-CE2 3.51Å; I94-F278 HydrophobicContact CD1-CZ 3.58Å; I94-F278 HydrophobicContact CG1-CD2 3.73Å; I94-F278 HydrophobicContact CG1-CE1 4.38Å; I94-F278 HydrophobicContact CG1-CE2 3.16Å; I94-F278 HydrophobicContact CG1-CZ 3.52Å; S274-F278 WeakPolarHBondContact O-CB 3.26Å; S274-F278 PolarHBondContact O-N 3.4Å; L275-F278 WeakPolarHBondContact O-CB 3.42Å; L275-F278 PolarHBondContact O-N 3.38Å; L275-F278 VanDerWaalsContact O-N 3.16Å; L276-F278 VanDerWaalsContact C-N 3.27Å; L276-F278 PolarHBondContact O-N 3.13Å; F278-V280 PolarHBondContact O-N 2.94Å; F278-C281 WeakPolarHBondContact O-CB 3.27Å; F278-C281 PolarHBondContact O-N 3.31Å; F278-C281 VanDerWaalsContact O-N 3.15Å; F278-I282 HydrophobicContact CD1-CD1 3.78Å; F278-I282 HydrophobicContact CD2-CD1 4.27Å; F278-I282 HydrophobicContact CD2-CG1 4.48Å; F278-I282 HydrophobicContact CE1-CD1 3.25Å; F278-I282 HydrophobicContact CE1-CG1 4.37Å; F278-I282 HydrophobicContact CE2-CD1 3.76Å; F278-I282 HydrophobicContact CE2-CG1 4.04Å; F278-I282 HydrophobicContact CG-CD1 4.28Å; F278-I282 HydrophobicContact CZ-CD1 3.25Å; F278-I282 HydrophobicContact CZ-CG1 4.02Å; F278-I282 WeakPolarHBondContact O-CG1 3.22Å; F278-I282 PolarHBondContact O-N 3.25Å |
| 279 | L | 90.3 | Very high | 88.2 | Confident | 70 Ų | 70 | 52.2 Ų | 52.2 | 37% | 0.366 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 175.5 | -68.8 | 174.8 | 0 | 0 | 0 | 112.3 | F262 L275 L276 C281 I282 W283 | F262-L279 HydrophobicContact CE1-CB 4.42Å; L275-L279 HydrophobicContact CD2-CD1 4.01Å; L275-L279 HydrophobicContact CG-CD1 4.47Å; L275-L279 WeakPolarHBondContact O-CG 3.44Å; L275-L279 PolarHBondContact O-N 3.45Å; L276-L279 PolarHBondContact O-N 3.2Å; L279-C281 VanDerWaalsContact C-N 3.32Å; L279-C281 PolarHBondContact O-N 3.45Å; L279-I282 PolarHBondContact O-N 3.38Å; L279-W283 WeakPolarHBondContact O-CB 3.47Å; L279-W283 PolarHBondContact O-N 3.34Å |
| 280 | V | 91.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 173.5 | 170.4 | 0 | 0 | 0 | 0 | 111.2 | V244 F259 F262 I266 L276 C277 F278 W283 A284 L347 | V244-V280 HydrophobicContact CG1-CG1 4.3Å; V244-V280 HydrophobicContact CG2-CG1 3.83Å; F259-V280 HydrophobicContact CD1-CG1 4.41Å; F259-V280 HydrophobicContact CE1-CG1 4.27Å; F262-V280 HydrophobicContact CB-CG2 3.36Å; F262-V280 HydrophobicContact CD1-CG2 4.26Å; F262-V280 HydrophobicContact CD2-CG2 3.72Å; F262-V280 HydrophobicContact CG-CG2 3.54Å; I266-V280 HydrophobicContact CD1-CG2 3.99Å; L276-V280 WeakPolarHBondContact O-CG2 3.35Å; L276-V280 PolarHBondContact O-N 3.1Å; C277-V280 PolarHBondContact O-N 3.41Å; F278-V280 PolarHBondContact O-N 2.94Å; V280-W283 PolarHBondContact O-N 3.5Å; V280-A284 WeakPolarHBondContact O-CB 3.45Å; V280-A284 PolarHBondContact O-N 3.44Å; V280-L347 HydrophobicContact CG1-CD2 4.34Å |
| 281 | C | 90.3 | Very high | 89 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.014 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63 | -42.6 | 177.5 | -172.9 | 0 | 0 | 0 | 0 | 111.5 | L93 C277 F278 L279 A285 M351 | L93-C281 HydrophobicContact CD1-CB 3.76Å; L93-C281 WeakPolarHBondContact CD1-SG 3.17Å; C277-C281 PolarHBondContact O-N 3.47Å; F278-C281 WeakPolarHBondContact O-CB 3.27Å; F278-C281 PolarHBondContact O-N 3.31Å; F278-C281 VanDerWaalsContact O-N 3.15Å; L279-C281 VanDerWaalsContact C-N 3.32Å; L279-C281 PolarHBondContact O-N 3.45Å; C281-A285 WeakPolarHBondContact O-CB 3.42Å; C281-A285 PolarHBondContact O-N 3.3Å; C281-M351 HydrophobicContact CB-CE 4.29Å |
| 282 | I | 90.7 | Very high | 89.3 | Confident | 73 Ų | 73 | 34 Ų | 34 | 37% | 0.374 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.7 | -45.3 | 176.4 | -68 | 164.5 | 0 | 0 | 0 | 110.6 | F278 L279 A285 A286 | F278-I282 HydrophobicContact CD1-CD1 3.78Å; F278-I282 HydrophobicContact CD2-CD1 4.27Å; F278-I282 HydrophobicContact CD2-CG1 4.48Å; F278-I282 HydrophobicContact CE1-CD1 3.25Å; F278-I282 HydrophobicContact CE1-CG1 4.37Å; F278-I282 HydrophobicContact CE2-CD1 3.76Å; F278-I282 HydrophobicContact CE2-CG1 4.04Å; F278-I282 HydrophobicContact CG-CD1 4.28Å; F278-I282 HydrophobicContact CZ-CD1 3.25Å; F278-I282 HydrophobicContact CZ-CG1 4.02Å; F278-I282 WeakPolarHBondContact O-CG1 3.22Å; F278-I282 PolarHBondContact O-N 3.25Å; L279-I282 PolarHBondContact O-N 3.38Å; I282-A285 WeakPolarHBondContact O-CB 3.45Å; I282-A285 PolarHBondContact O-N 3.25Å; I282-A286 WeakPolarHBondContact O-CB 3.21Å; I282-A286 PolarHBondContact O-N 3.06Å |
| 283 | W | 92.7 | Very high | 89.5 | Confident | 95 Ų | 95 | 35.7 Ų | 35.7 | 36% | 0.36 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.8 | -46.3 | -179.1 | -168.8 | -110 | 0 | 0 | 0 | 111.7 | V255 L258 F259 F262 L279 V280 A285 A286 I287 | V255-W283 PolarHBondContact O-NE1 3.31Å; L258-W283 HydrophobicContact CD1-CD2 4.16Å; L258-W283 HydrophobicContact CD1-CH2 4.14Å; L258-W283 HydrophobicContact CD1-CZ2 3.67Å; F259-W283 AromaticContact CE1-CD1 3.75Å; F259-W283 AromaticContact CZ-CD1 3.98Å; F262-W283 HydrophobicContact CE2-CB 4.29Å; F262-W283 HydrophobicContact CE2-CG 4.27Å; L279-W283 WeakPolarHBondContact O-CB 3.47Å; L279-W283 PolarHBondContact O-N 3.34Å; V280-W283 PolarHBondContact O-N 3.5Å; W283-A285 VanDerWaalsContact C-N 3.29Å; W283-A285 PolarHBondContact O-N 3.02Å; W283-A286 PolarHBondContact O-N 3.5Å; W283-I287 HydrophobicContact CG-CD1 4.37Å; W283-I287 WeakPolarHBondContact O-CG1 3.43Å; W283-I287 PolarHBondContact O-N 3.2Å |
| 284 | A | 92 | Very high | 89.6 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.4 | -38.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F259 V280 I287 A288 Y344 L347 F348 | F259-A284 HydrophobicContact CE1-CB 4.17Å; F259-A284 HydrophobicContact CZ-CB 4.01Å; V280-A284 WeakPolarHBondContact O-CB 3.45Å; V280-A284 PolarHBondContact O-N 3.44Å; A284-I287 PolarHBondContact O-N 3.07Å; A284-A288 VanDerWaalsContact O-CB 3.31Å; A284-A288 WeakPolarHBondContact O-CB 3.26Å; A284-A288 PolarHBondContact O-N 3.5Å; A284-Y344 HydrophobicContact CB-CD1 4.37Å; A284-L347 HydrophobicContact CB-CD2 3.95Å; A284-F348 HydrophobicContact CB-CE1 3.79Å; A284-F348 HydrophobicContact CB-CZ 3.79Å |
| 285 | A | 91.4 | Very high | 89.9 | Confident | 10 Ų | 10 | 33 Ų | 33 | 8% | 0.083 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.1 | -42.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L86 C281 I282 W283 A288 L289 F348 | L86-A285 HydrophobicContact CB-CB 4.25Å; L86-A285 HydrophobicContact CD1-CB 3.89Å; L86-A285 HydrophobicContact CD2-CB 4.24Å; L86-A285 HydrophobicContact CG-CB 4.35Å; C281-A285 WeakPolarHBondContact O-CB 3.42Å; C281-A285 PolarHBondContact O-N 3.3Å; I282-A285 WeakPolarHBondContact O-CB 3.45Å; I282-A285 PolarHBondContact O-N 3.25Å; W283-A285 VanDerWaalsContact C-N 3.29Å; W283-A285 PolarHBondContact O-N 3.02Å; A285-A288 PolarHBondContact O-N 2.62Å; A285-L289 WeakPolarHBondContact O-CB 3.46Å; A285-L289 VanDerWaalsContact O-CG 3.3Å; A285-L289 WeakPolarHBondContact O-CG 3.46Å; A285-L289 PolarHBondContact O-N 3.41Å; A285-F348 HydrophobicContact CB-CE1 4.3Å; A285-F348 HydrophobicContact CB-CZ 4.27Å |
| 286 | A | 92.2 | Very high | 89.7 | Confident | 47 Ų | 47 | 28.5 Ų | 28.5 | 39% | 0.388 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -62.8 | -44.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | I282 W283 L289 A290 | I282-A286 WeakPolarHBondContact O-CB 3.21Å; I282-A286 PolarHBondContact O-N 3.06Å; W283-A286 PolarHBondContact O-N 3.5Å; A286-L289 PolarHBondContact O-N 2.84Å; A286-A290 VanDerWaalsContact O-CB 3.22Å; A286-A290 WeakPolarHBondContact O-CB 3.35Å; A286-A290 PolarHBondContact O-N 3.04Å |
| 287 | I | 91.8 | Very high | 89.1 | Confident | 7 Ų | 7 | 32.9 Ų | 32.9 | 4% | 0.036 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.9 | -47.2 | 175.2 | -68.2 | 166.1 | 0 | 0 | 0 | 110.8 | V255 F259 W283 A284 L289 A290 K291 Y344 | V255-I287 HydrophobicContact CB-CD1 4.31Å; V255-I287 HydrophobicContact CB-CG1 4.44Å; F259-I287 HydrophobicContact CE2-CD1 3.8Å; F259-I287 HydrophobicContact CZ-CD1 3.66Å; W283-I287 HydrophobicContact CG-CD1 4.37Å; W283-I287 WeakPolarHBondContact O-CG1 3.43Å; W283-I287 PolarHBondContact O-N 3.2Å; A284-I287 PolarHBondContact O-N 3.07Å; I287-L289 PolarHBondContact O-N 3.3Å; I287-A290 PolarHBondContact O-N 3.44Å; I287-K291 HydrophobicContact CG2-CD 4.04Å; I287-K291 HydrophobicContact CG2-CG 4.26Å; I287-K291 WeakPolarHBondContact O-CB 3.49Å; I287-K291 WeakPolarHBondContact O-CG 3.29Å; I287-K291 PolarHBondContact O-N 3.48Å; I287-Y344 HydrophobicContact CB-CE1 4.28Å; I287-Y344 HydrophobicContact CG2-CE1 3.74Å |
| 288 | A | 90.3 | Very high | 88.3 | Confident | 2 Ų | 2 | 39 Ų | 39 | 2% | 0.017 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.5 | -44.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A284 A285 K291 M292 L341 F348 | A284-A288 VanDerWaalsContact O-CB 3.31Å; A284-A288 WeakPolarHBondContact O-CB 3.26Å; A284-A288 PolarHBondContact O-N 3.5Å; A285-A288 PolarHBondContact O-N 2.62Å; A288-K291 PolarHBondContact O-N 3.07Å; A288-M292 VanDerWaalsContact O-CG 3.31Å; A288-M292 WeakPolarHBondContact O-CG 3.27Å; A288-M292 PolarHBondContact O-N 3.47Å; A288-M292 VanDerWaalsContact O-N 3.1Å; A288-L341 HydrophobicContact CB-CD2 3.97Å; A288-F348 HydrophobicContact CB-CE2 4.25Å; A288-F348 HydrophobicContact CB-CZ 4.42Å |
| 289 | L | 91.4 | Very high | 87.4 | Confident | 42 Ų | 42 | 37.1 Ų | 37.1 | 22% | 0.22 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.5 | -42.6 | 175.3 | -71.1 | 173.5 | 0 | 0 | 0 | 112 | I79 M82 A83 L86 A285 A286 I287 K291 M292 L293 | I79-L289 HydrophobicContact CG2-CD2 3.99Å; M82-L289 HydrophobicContact CB-CD2 4.16Å; M82-L289 HydrophobicContact CG-CD2 4.1Å; A83-L289 HydrophobicContact CB-CD1 4.47Å; A83-L289 HydrophobicContact CB-CD2 4.2Å; L86-L289 HydrophobicContact CD1-CD1 4.24Å; L86-L289 HydrophobicContact CD1-CD2 4.09Å; L86-L289 HydrophobicContact CD1-CG 3.83Å; A285-L289 WeakPolarHBondContact O-CB 3.46Å; A285-L289 VanDerWaalsContact O-CG 3.3Å; A285-L289 WeakPolarHBondContact O-CG 3.46Å; A285-L289 PolarHBondContact O-N 3.41Å; A286-L289 PolarHBondContact O-N 2.84Å; I287-L289 PolarHBondContact O-N 3.3Å; L289-K291 PolarHBondContact O-N 2.84Å; L289-M292 PolarHBondContact O-N 2.87Å; L289-L293 WeakPolarHBondContact O-CB 3.48Å; L289-L293 VanDerWaalsContact O-CG 3.31Å; L289-L293 WeakPolarHBondContact O-CG 3.3Å; L289-L293 PolarHBondContact O-N 3.29Å |
| 290 | A | 89.8 | Confident | 86 | Confident | 32 Ų | 32 | 38.5 Ų | 38.5 | 26% | 0.264 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.1 | -41.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A286 I287 M292 L293 F294 F331 | A286-A290 VanDerWaalsContact O-CB 3.22Å; A286-A290 WeakPolarHBondContact O-CB 3.35Å; A286-A290 PolarHBondContact O-N 3.04Å; I287-A290 PolarHBondContact O-N 3.44Å; A290-M292 VanDerWaalsContact C-N 3.31Å; A290-M292 PolarHBondContact O-N 3.43Å; A290-L293 PolarHBondContact O-N 2.83Å; A290-F294 WeakPolarHBondContact O-CB 3.06Å; A290-F294 PolarHBondContact O-N 2.79Å; A290-F331 HydrophobicContact CB-CE1 3.75Å; A290-F331 HydrophobicContact CB-CZ 4.05Å |
| 291 | K | 90.4 | Very high | 84.5 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.4 | -37.2 | 174.5 | -78.8 | -176 | 167 | -149.7 | 0 | 112.7 | E251 I287 A288 L289 Q295 G330 F331 Y340 L341 Y344 | E251-K291 IonicContact OE1-NZ 3.58Å; E251-K291 PolarHBondContact OE1-NZ 2.96Å; E251-K291 IonicContact OE2-NZ 2.97Å; E251-K291 PolarHBondContact OE2-NZ 3.26Å; I287-K291 HydrophobicContact CG2-CD 4.04Å; I287-K291 HydrophobicContact CG2-CG 4.26Å; I287-K291 WeakPolarHBondContact O-CB 3.49Å; I287-K291 WeakPolarHBondContact O-CG 3.29Å; I287-K291 PolarHBondContact O-N 3.48Å; A288-K291 PolarHBondContact O-N 3.07Å; L289-K291 PolarHBondContact O-N 2.84Å; K291-Q295 WeakPolarHBondContact O-CG 3.37Å; K291-Q295 PolarHBondContact O-NE2 2.96Å; K291-G330 WeakPolarHBondContact CE-O 3.48Å; K291-F331 HydrophobicContact CG-CD1 4.06Å; K291-F331 HydrophobicContact CG-CE1 4.09Å; K291-Y340 HydrophobicContact CB-CD1 4.3Å; K291-Y340 HydrophobicContact CB-CE1 3.77Å; K291-Y340 HydrophobicContact CD-CD1 4.08Å; K291-Y340 HydrophobicContact CD-CE1 3.54Å; K291-Y340 HydrophobicContact CD-CE2 4.35Å; K291-Y340 WeakPolarHBondContact CE-OH 3.44Å; K291-Y340 HydrophobicContact CG-CD1 4.46Å; K291-Y340 HydrophobicContact CG-CE1 3.64Å; K291-Y340 VanDerWaalsContact NZ-CZ 3.33Å; K291-L341 HydrophobicContact CB-CD2 4.21Å; K291-L341 HydrophobicContact CD-CD2 4.12Å; K291-Y344 HydrophobicContact CD-CE2 4.39Å |
| 292 | M | 88.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -74.8 | -39.7 | 174.7 | -62.4 | -141.2 | -54 | 0 | 0 | 112.5 | V74 I79 M82 A288 L289 A290 F294 Q295 I337 L341 | V74-M292 HydrophobicContact CG1-CB 4.46Å; I79-M292 HydrophobicContact CB-CE 4.26Å; I79-M292 HydrophobicContact CG1-CB 4.17Å; I79-M292 HydrophobicContact CG1-CE 4.13Å; I79-M292 HydrophobicContact CG2-CE 4.45Å; M82-M292 HydrophobicContact CB-CE 3.22Å; M82-M292 HydrophobicContact CE-CE 4.08Å; M82-M292 HydrophobicContact CE-SD 3.9Å; M82-M292 HydrophobicContact CG-CE 3.62Å; A288-M292 VanDerWaalsContact O-CG 3.31Å; A288-M292 WeakPolarHBondContact O-CG 3.27Å; A288-M292 PolarHBondContact O-N 3.47Å; A288-M292 VanDerWaalsContact O-N 3.1Å; L289-M292 PolarHBondContact O-N 2.87Å; A290-M292 VanDerWaalsContact C-N 3.31Å; A290-M292 PolarHBondContact O-N 3.43Å; M292-F294 VanDerWaalsContact C-N 3.28Å; M292-F294 PolarHBondContact O-N 3.45Å; M292-Q295 WeakPolarHBondContact O-CB 3.31Å; M292-Q295 PolarHBondContact O-N 2.85Å; M292-Q295 VanDerWaalsContact O-N 3.16Å; M292-I337 HydrophobicContact CG-CD1 3.97Å; M292-I337 HydrophobicContact CG-CG1 4.33Å; M292-I337 HydrophobicContact SD-CD1 4.48Å; M292-I337 HydrophobicContact SD-CG1 4.26Å; M292-L341 HydrophobicContact CG-CD1 3.73Å; M292-L341 HydrophobicContact SD-CD1 3.83Å |
| 293 | L | 88.2 | Confident | 81.2 | Confident | 76 Ų | 76 | 43.2 Ų | 43.2 | 40% | 0.398 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.3 | -38.8 | 174.3 | -76.5 | 164.9 | 0 | 0 | 0 | 111.6 | I79 L289 A290 Q295 L296 | I79-L293 HydrophobicContact CD1-CD2 3.74Å; I79-L293 HydrophobicContact CD1-CG 4.13Å; I79-L293 HydrophobicContact CG2-CD2 4.3Å; I79-L293 HydrophobicContact CG2-CG 4.31Å; L289-L293 WeakPolarHBondContact O-CB 3.48Å; L289-L293 VanDerWaalsContact O-CG 3.31Å; L289-L293 WeakPolarHBondContact O-CG 3.3Å; L289-L293 PolarHBondContact O-N 3.29Å; A290-L293 PolarHBondContact O-N 2.83Å; L293-Q295 PolarHBondContact O-N 2.66Å; L293-L296 HydrophobicContact CD2-CD1 4.27Å; L293-L296 WeakPolarHBondContact O-CB 2.99Å; L293-L296 PolarHBondContact O-N 3.48Å; L293-L296 VanDerWaalsContact O-N 3.16Å |
| 294 | F | 87.2 | Confident | 79.5 | Confident | 30 Ų | 30 | 42.2 Ų | 42.2 | 13% | 0.132 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -16.4 | 178 | -165.5 | -100.8 | 0 | 0 | 0 | 113.9 | A290 M292 A299 V301 A326 F331 K333 | A290-F294 WeakPolarHBondContact O-CB 3.06Å; A290-F294 PolarHBondContact O-N 2.79Å; M292-F294 VanDerWaalsContact C-N 3.28Å; M292-F294 PolarHBondContact O-N 3.45Å; F294-A299 HydrophobicContact CD2-CB 4.4Å; F294-V301 HydrophobicContact CE1-CG2 4.47Å; F294-V301 HydrophobicContact CZ-CG2 3.9Å; F294-A326 HydrophobicContact CE2-CB 4.44Å; F294-A326 HydrophobicContact CZ-CB 3.79Å; F294-F331 HydrophobicContact CB-CD1 4.41Å; F294-F331 HydrophobicContact CD1-CB 3.88Å; F294-F331 HydrophobicContact CD2-CB 4.18Å; F294-F331 HydrophobicContact CE1-CB 3.94Å; F294-F331 HydrophobicContact CE2-CB 4.24Å; F294-F331 HydrophobicContact CG-CB 4Å; F294-F331 HydrophobicContact CG-CG 4.49Å; F294-F331 HydrophobicContact CZ-CB 4.12Å; F294-K333 HydrophobicContact CD1-CG 4.32Å; F294-K333 HydrophobicContact CE1-CG 4.05Å |
| 295 | Q | 87.8 | Confident | 77.7 | Confident | 34 Ų | 34 | 48 Ų | 48 | 16% | 0.159 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -17.3 | 174.7 | -57.8 | -49.3 | -53.5 | 0 | 0 | 113.5 | V74 K291 M292 L293 S332 I337 | V74-Q295 HydrophobicContact CB-CB 4.46Å; K291-Q295 WeakPolarHBondContact O-CG 3.37Å; K291-Q295 PolarHBondContact O-NE2 2.96Å; M292-Q295 WeakPolarHBondContact O-CB 3.31Å; M292-Q295 PolarHBondContact O-N 2.85Å; M292-Q295 VanDerWaalsContact O-N 3.16Å; L293-Q295 PolarHBondContact O-N 2.66Å; Q295-S332 PolarHBondContact NE2-O 2.85Å; Q295-I337 HydrophobicContact CG-CD1 3.58Å |
| 296 | L | 84.1 | Confident | 75.9 | Confident | 11 Ų | 11 | 52.6 Ų | 52.6 | 6% | 0.058 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -68.5 | 149.5 | 179.7 | -66.5 | 172.8 | 0 | 0 | 0 | 111.1 | V74 I79 D146 L293 F298 A299 | V74-L296 WeakPolarHBondContact O-CD2 3.42Å; I79-L296 HydrophobicContact CD1-CD1 3.55Å; I79-L296 HydrophobicContact CD1-CD2 4.48Å; I79-L296 HydrophobicContact CD1-CG 4.07Å; D146-L296 HydrophobicContact CB-CB 4.49Å; D146-L296 HydrophobicContact CB-CD2 3.99Å; L293-L296 HydrophobicContact CD2-CD1 4.27Å; L293-L296 WeakPolarHBondContact O-CB 2.99Å; L293-L296 PolarHBondContact O-N 3.48Å; L293-L296 VanDerWaalsContact O-N 3.16Å; L296-F298 VanDerWaalsContact C-N 3.29Å; L296-F298 HydrophobicContact CB-CD1 3.42Å; L296-F298 VanDerWaalsContact CB-CD1 3.42Å; L296-F298 HydrophobicContact CB-CE1 3.47Å; L296-F298 VanDerWaalsContact CB-CE1 3.47Å; L296-F298 HydrophobicContact CD1-CD1 4.01Å; L296-F298 HydrophobicContact CD1-CE1 3.53Å; L296-F298 HydrophobicContact CG-CD1 4.34Å; L296-F298 HydrophobicContact CG-CE1 4.09Å; L296-F298 PolarHBondContact O-N 2.93Å; L296-A299 PolarHBondContact O-N 3.36Å |
| 297 | H | 75.1 | Confident | 74.1 | Confident | 106 Ų | 106 | 50.6 Ų | 50.6 | 49% | 0.491 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -28.2 | -175.1 | -74 | -54.7 | 0 | 0 | 0 | 113.6 | D146 A299 K300 | D146-H297 VanDerWaalsContact CG-N 3.3Å; D146-H297 VanDerWaalsContact OD1-CB 3.29Å; D146-H297 WeakPolarHBondContact OD1-CB 3.5Å; D146-H297 IonicContact OD1-CD2 2.74Å; D146-H297 IonicContact OD1-CG 3.84Å; D146-H297 PolarHBondContact OD1-N 3.4Å; D146-H297 PolarHBondContact OD2-N 2.72Å; D146-H297 VanDerWaalsContact OD2-N 3.1Å; H297-A299 PolarHBondContact O-N 3.25Å; H297-A299 VanDerWaalsContact O-N 3.08Å; H297-K300 WeakPolarHBondContact O-CG 3.43Å; H297-K300 PolarHBondContact O-N 2.92Å |
| 298 | F | 71.3 | Confident | 72.1 | Confident | 129 Ų | 129 | 56.7 Ų | 56.7 | 57% | 0.566 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -27.8 | 175.3 | 83.5 | -97.3 | 0 | 0 | 0 | 112.6 | D146 L296 K300 | D146-F298 PolarHBondContact OD2-N 3Å; L296-F298 VanDerWaalsContact C-N 3.29Å; L296-F298 HydrophobicContact CB-CD1 3.42Å; L296-F298 VanDerWaalsContact CB-CD1 3.42Å; L296-F298 HydrophobicContact CB-CE1 3.47Å; L296-F298 VanDerWaalsContact CB-CE1 3.47Å; L296-F298 HydrophobicContact CD1-CD1 4.01Å; L296-F298 HydrophobicContact CD1-CE1 3.53Å; L296-F298 HydrophobicContact CG-CD1 4.34Å; L296-F298 HydrophobicContact CG-CE1 4.09Å; L296-F298 PolarHBondContact O-N 2.93Å; F298-K300 PolarHBondContact O-N 3.47Å |
| 299 | A | 68.1 | Low | 70.3 | Confident | 14 Ų | 14 | 64.4 Ų | 64.4 | 12% | 0.116 | 34% | 0.343 | C | S | . | . | trans | -79 | 65.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | F294 L296 H297 V301 K333 | F294-A299 HydrophobicContact CD2-CB 4.4Å; L296-A299 PolarHBondContact O-N 3.36Å; H297-A299 PolarHBondContact O-N 3.25Å; H297-A299 VanDerWaalsContact O-N 3.08Å; A299-V301 PolarHBondContact O-N 3.17Å; A299-V301 VanDerWaalsContact O-N 3.16Å; A299-K333 VanDerWaalsContact O-CE 3.23Å; A299-K333 WeakPolarHBondContact O-CE 3.28Å; A299-K333 PolarHBondContact O-NZ 3.37Å | ||
| 300 | K | 61.3 | Low | 68.5 | Low | 99 Ų | 99 | 69.4 Ų | 69.4 | 43% | 0.43 | 37% | 0.371 | S | S | . | . | trans | -70.6 | 106.6 | 169.3 | -72.6 | -175.3 | -179.4 | 173.2 | 0 | 108 | E142 H297 F298 A302 A303 | E142-K300 VanDerWaalsContact CD-NZ 3.28Å; E142-K300 IonicContact OE1-NZ 3.68Å; E142-K300 PolarHBondContact OE1-NZ 3.31Å; E142-K300 WeakPolarHBondContact OE2-CE 3.45Å; E142-K300 IonicContact OE2-NZ 2.83Å; E142-K300 PolarHBondContact OE2-NZ 3.43Å; H297-K300 WeakPolarHBondContact O-CG 3.43Å; H297-K300 PolarHBondContact O-N 2.92Å; F298-K300 PolarHBondContact O-N 3.47Å; K300-A302 PolarHBondContact O-N 2.91Å; K300-A303 HydrophobicContact CB-CB 4.04Å; K300-A303 WeakPolarHBondContact O-CB 3.43Å; K300-A303 PolarHBondContact O-N 3.46Å | ||
| 301 | V | 59.1 | Low | 67.1 | Low | 27 Ų | 27 | 70.4 Ų | 70.4 | 16% | 0.164 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -52.1 | -44.8 | 178.7 | -178.4 | 0 | 0 | 0 | 0 | 109.5 | F294 A299 A303 I304 S307 | F294-V301 HydrophobicContact CE1-CG2 4.47Å; F294-V301 HydrophobicContact CZ-CG2 3.9Å; A299-V301 PolarHBondContact O-N 3.17Å; A299-V301 VanDerWaalsContact O-N 3.16Å; V301-A303 PolarHBondContact O-N 2.91Å; V301-I304 PolarHBondContact O-N 3.23Å; V301-I304 VanDerWaalsContact O-N 3.1Å; V301-S307 PolarHBondContact O-OG 3.35Å |
| 302 | A | 56.5 | Low | 65.2 | Low | 70 Ų | 70 | 76 Ų | 76 | 58% | 0.579 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -59.3 | -17.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | K300 | K300-A302 PolarHBondContact O-N 2.91Š|
| 303 | A | 56.3 | Low | 63.4 | Low | 77 Ų | 77 | 80.2 Ų | 80.2 | 64% | 0.636 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -91.6 | -8.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | K300 V301 P305 | K300-A303 HydrophobicContact CB-CB 4.04Å; K300-A303 WeakPolarHBondContact O-CB 3.43Å; K300-A303 PolarHBondContact O-N 3.46Å; V301-A303 PolarHBondContact O-N 2.91Å; A303-P305 WeakPolarHBondContact O-CD 3.22Å |
| 304 | I | 57.1 | Low | 61.5 | Low | 74 Ų | 74 | 86.5 Ų | 86.5 | 38% | 0.379 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -87.4 | 111.6 | 175.5 | -57.1 | 173.6 | 0 | 0 | 0 | 106.4 | V301 I306 S307 | V301-I304 PolarHBondContact O-N 3.23Å; V301-I304 VanDerWaalsContact O-N 3.1Å; I304-I306 HydrophobicContact CG2-CB 4.15Å; I304-I306 HydrophobicContact CG2-CD1 4.05Å; I304-I306 HydrophobicContact CG2-CG1 3.85Å; I304-I306 PolarHBondContact O-N 3.2Å; I304-S307 PolarHBondContact O-N 3.45Å; I304-S307 VanDerWaalsContact O-N 3.1Å; I304-S307 PolarHBondContact O-OG 2.92Å |
| 305 | P | 52.6 | Low | 59.7 | Low | 121 Ų | 121 | 91 Ų | 91 | 79% | 0.786 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 6.3 | -174.2 | 24.9 | -33.9 | 0 | 0 | 0 | 114.8 | A303 | A303-P305 WeakPolarHBondContact O-CD 3.22Š|
| 306 | I | 54.8 | Low | 57.7 | Low | 106 Ų | 106 | 93 Ų | 93 | 54% | 0.544 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -5.1 | -174.2 | -26 | 169 | 0 | 0 | 0 | 111.6 | I304 | I304-I306 HydrophobicContact CG2-CB 4.15Å; I304-I306 HydrophobicContact CG2-CD1 4.05Å; I304-I306 HydrophobicContact CG2-CG1 3.85Å; I304-I306 PolarHBondContact O-N 3.2Å |
| 307 | S | 53.4 | Low | 55.5 | Low | 6 Ų | 6 | 101 Ų | 101 | 4% | 0.042 | 55% | 0.548 | C | S | . | . | S | Bend | trans | -99.8 | -26.1 | -170.6 | 62.3 | 0 | 0 | 0 | 0 | 115.8 | V301 I304 | V301-S307 PolarHBondContact O-OG 3.35Å; I304-S307 PolarHBondContact O-N 3.45Å; I304-S307 VanDerWaalsContact O-N 3.1Å; I304-S307 PolarHBondContact O-OG 2.92Å |
| 308 | E | 50.3 | Low | 54 | Low | 134 Ų | 134 | 102.7 Ų | 102.7 | 63% | 0.626 | 56% | 0.561 | S | S | * | * | trans | -113 | 84.9 | -175.7 | -74.5 | 179.6 | -178.5 | 0 | 0 | 111 | ||||
| 309 | W | 53.3 | Low | 52.5 | Low | 164 Ų | 164 | 103.5 Ų | 103.5 | 62% | 0.621 | 57% | 0.571 | S | S | * | * | trans | -109.5 | 110.1 | 161.4 | -68.5 | 86.8 | 0 | 0 | 0 | 108 | C311 | W309-C311 VanDerWaalsContact C-N 3.29Å; W309-C311 PolarHBondContact O-N 3.41Å | ||
| 310 | N | 54 | Low | 51.3 | Low | 148 Ų | 148 | 108.7 Ų | 108.7 | 79% | 0.791 | 61% | 0.607 | S | S | * | * | trans | -70.1 | 91.1 | 167.1 | -83.9 | -15.3 | 0 | 0 | 0 | 107.8 | S312 | N310-S312 VanDerWaalsContact C-N 3.27Å; N310-S312 PolarHBondContact O-N 3.43Å | ||
| 311 | C | 58.6 | Low | 50.7 | Low | 52 Ų | 52 | 110.1 Ų | 110.1 | 35% | 0.351 | 62% | 0.619 | S | S | . | * | trans | -65 | 93.6 | 168 | -53.8 | 0 | 0 | 0 | 0 | 107.5 | W309 M313 C475 | W309-C311 VanDerWaalsContact C-N 3.29Å; W309-C311 PolarHBondContact O-N 3.41Å; C311-M313 HydrophobicContact CB-CG 4.29Å; C311-M313 PolarHBondContact O-N 2.91Å; C311-C475 HydrophobicContact CB-CB 3.95Å; C311-C475 WeakPolarHBondContact CB-SG 3.25Å; C311-C475 VanDerWaalsContact SG-CA 3.52Å; C311-C475 WeakPolarHBondContact SG-CB 3.35Å; C311-C475 CovalentContact SG-SG 2.04Å; C311-C475 PolarHBondContact SG-SG 2.95Å | ||
| 312 | S | 50.6 | Low | 50.3 | Low | 118 Ų | 118 | 113 Ų | 113 | 83% | 0.825 | 64% | 0.64 | S | S | * | * | trans | -69.7 | 82.8 | 173.2 | 52.5 | 0 | 0 | 0 | 0 | 108.7 | N310 | N310-S312 VanDerWaalsContact C-N 3.27Å; N310-S312 PolarHBondContact O-N 3.43Å | ||
| 313 | M | 51.5 | Low | 50.3 | Low | 88 Ų | 88 | 114.4 Ų | 114.4 | 43% | 0.433 | 64% | 0.636 | S | S | . | * | trans | -119.4 | 132.8 | 179.5 | -68.8 | -72.6 | -83.8 | 0 | 0 | 108.8 | C311 F315 K477 | C311-M313 HydrophobicContact CB-CG 4.29Å; C311-M313 PolarHBondContact O-N 2.91Å; M313-F315 HydrophobicContact CB-CD2 3.65Å; M313-F315 HydrophobicContact CB-CE2 3.67Å; M313-F315 PolarHBondContact O-N 3.4Å; M313-K477 HydrophobicContact CE-CB 4.14Å; M313-K477 HydrophobicContact CE-CD 4.16Å | ||
| 314 | E | 48.5 | Very low | 50.6 | Low | 209 Ų | 209 | 113.3 Ų | 113.3 | 98% | 0.977 | 62% | 0.619 | S | S | * | * | trans | -59.9 | 59.4 | 177.9 | -64.2 | 173.1 | 144.5 | 0 | 0 | 113 | ||||
| 315 | F | 50 | Low | 51.3 | Low | 125 Ų | 125 | 110.9 Ų | 110.9 | 55% | 0.548 | 61% | 0.61 | S | S | . | * | trans | -86.9 | 116.1 | 169.7 | -77.4 | -80.5 | 0 | 0 | 0 | 108.2 | M313 V496 | M313-F315 HydrophobicContact CB-CD2 3.65Å; M313-F315 HydrophobicContact CB-CE2 3.67Å; M313-F315 PolarHBondContact O-N 3.4Å; F315-V496 HydrophobicContact CD1-CG2 4.38Å; F315-V496 HydrophobicContact CE1-CG2 3.61Å; F315-V496 HydrophobicContact CZ-CG2 4.42Å | ||
| 316 | G | 44.8 | Very low | 52.3 | Low | 74 Ų | 74 | 106 Ų | 106 | 76% | 0.763 | 58% | 0.58 | S | S | * | * | trans | -46.3 | 142.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.7 | N318 | G316-N318 PolarHBondContact O-N 3.42Š| ||
| 317 | E | 39.2 | Very low | 53.4 | Low | 179 Ų | 179 | 106.5 Ų | 106.5 | 84% | 0.836 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -20.1 | 108.2 | 178.4 | -67.4 | 172.4 | 147.1 | 0 | 0 | 115.1 | ||
| 318 | N | 42.1 | Very low | 54.8 | Low | 143 Ų | 143 | 110.2 Ų | 110.2 | 77% | 0.765 | 60% | 0.596 | S | S | * | * | S | Bend | 155.6 | 1.6 | 124.3 | -79.5 | -37.5 | 0 | 0 | 0 | 116.7 | G316 | G316-N318 PolarHBondContact O-N 3.42Š| |
| 319 | N | 41.2 | Very low | 56.4 | Low | 145 Ų | 145 | 105 Ų | 105 | 78% | 0.775 | 58% | 0.576 | S | S | * | * | trans | -136.2 | 94.7 | 179.2 | -71.9 | -39.7 | 0 | 0 | 0 | 113.2 | N321 | N319-N321 PolarHBondContact O-N 3.24Š| ||
| 320 | S | 41.2 | Very low | 57.8 | Low | 124 Ų | 124 | 97.4 Ų | 97.4 | 87% | 0.867 | 55% | 0.548 | S | S | * | . | trans | -77 | 62.4 | 172 | 49 | 0 | 0 | 0 | 0 | 112.1 | S322 | S320-S322 PolarHBondContact O-N 3.45Š| ||
| 321 | N | 49.2 | Very low | 59.3 | Low | 129 Ų | 129 | 92.4 Ų | 92.4 | 69% | 0.69 | 52% | 0.52 | S | S | * | . | trans | -87.1 | 106.3 | 174 | -70.1 | -11.3 | 0 | 0 | 0 | 109.5 | N319 M323 | N319-N321 PolarHBondContact O-N 3.24Å; N321-M323 PolarHBondContact O-N 3.43Å | ||
| 322 | S | 51 | Low | 60.5 | Low | 86 Ų | 86 | 91.9 Ų | 91.9 | 60% | 0.601 | 52% | 0.517 | S | S | * | . | trans | -56.5 | 120.6 | 169.3 | 52.9 | 0 | 0 | 0 | 0 | 109.5 | S320 D324 | S320-S322 PolarHBondContact O-N 3.45Å; S322-D324 PolarHBondContact O-N 2.88Å | ||
| 323 | M | 56.1 | Low | 62 | Low | 101 Ų | 101 | 91 Ų | 91 | 50% | 0.498 | 50% | 0.498 | S | S | . | . | trans | -88.7 | 98.6 | -176.1 | -71.4 | -161.3 | 160.2 | 0 | 0 | 111 | N321 P472 | N321-M323 PolarHBondContact O-N 3.43Å; M323-P472 HydrophobicContact CB-CB 4.02Å; M323-P472 HydrophobicContact CB-CG 4.16Å; M323-P472 HydrophobicContact CG-CB 4.44Å; M323-P472 HydrophobicContact SD-CB 3.58Å; M323-P472 VanDerWaalsContact SD-CB 3.58Å; M323-P472 HydrophobicContact SD-CG 4.31Å | ||
| 324 | D | 62.4 | Low | 63.5 | Low | 54 Ų | 54 | 88.5 Ų | 88.5 | 29% | 0.289 | 49% | 0.488 | S | S | . | . | trans | -78 | 131.8 | -177.4 | -69 | -13.2 | 0 | 0 | 0 | 112.8 | S322 A326 L327 | S322-D324 PolarHBondContact O-N 2.88Å; D324-A326 PolarHBondContact O-N 3.2Å; D324-L327 HydrophobicContact CB-CB 4.42Å; D324-L327 WeakPolarHBondContact O-CB 3.35Å; D324-L327 PolarHBondContact O-N 3.47Å | ||
| 325 | A | 71.6 | Confident | 65 | Low | 22 Ų | 22 | 86.1 Ų | 86.1 | 18% | 0.182 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -57.9 | -30.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L327 W328 A329 N473 | A325-L327 VanDerWaalsContact C-N 3.31Å; A325-L327 PolarHBondContact O-N 3.43Å; A325-W328 PolarHBondContact O-N 2.88Å; A325-A329 PolarHBondContact O-N 3.13Å; A325-A329 VanDerWaalsContact O-N 3.13Å; A325-N473 HydrophobicContact CB-CB 4.04Å; A325-N473 WeakPolarHBondContact CB-ND2 3.27Å |
| 326 | A | 75 | Confident | 66.6 | Low | 18 Ų | 18 | 82.7 Ų | 82.7 | 15% | 0.149 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -63.7 | -37 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F294 D324 A329 G330 F331 | F294-A326 HydrophobicContact CE2-CB 4.44Å; F294-A326 HydrophobicContact CZ-CB 3.79Å; D324-A326 PolarHBondContact O-N 3.2Å; A326-A329 PolarHBondContact O-N 3.44Å; A326-G330 PolarHBondContact O-N 3.09Å; A326-G330 VanDerWaalsContact O-N 3.08Å; A326-F331 CarbonylContact C-O 3.15Å; A326-F331 HydrophobicContact CB-CB 4.43Å; A326-F331 WeakPolarHBondContact CB-O 3.38Å; A326-F331 PolarHBondContact O-N 2.91Å |
| 327 | L | 77.1 | Confident | 68.5 | Low | 117 Ų | 117 | 79.2 Ų | 79.2 | 61% | 0.613 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -65.7 | -43.3 | 179.4 | -175.1 | 65.4 | 0 | 0 | 0 | 111.4 | D324 A325 A329 G330 | D324-L327 HydrophobicContact CB-CB 4.42Å; D324-L327 WeakPolarHBondContact O-CB 3.35Å; D324-L327 PolarHBondContact O-N 3.47Å; A325-L327 VanDerWaalsContact C-N 3.31Å; A325-L327 PolarHBondContact O-N 3.43Å; L327-A329 VanDerWaalsContact C-N 3.33Å; L327-A329 PolarHBondContact O-N 3.3Å; L327-G330 WeakPolarHBondContact O-CA 3.16Å; L327-G330 PolarHBondContact O-N 3.45Å |
| 328 | W | 82.7 | Confident | 70.6 | Confident | 85 Ų | 85 | 74 Ų | 74 | 32% | 0.322 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 174.4 | 176 | 86.1 | 0 | 0 | 0 | 112.4 | A254 A325 G330 V468 G469 P471 | A254-W328 HydrophobicContact CB-CD2 4.12Å; A254-W328 HydrophobicContact CB-CE3 3.88Å; A254-W328 HydrophobicContact CB-CH2 3.61Å; A254-W328 HydrophobicContact CB-CZ2 3.84Å; A254-W328 HydrophobicContact CB-CZ3 3.63Å; A254-W328 PolarHBondContact N-O 3.45Å; A254-W328 VanDerWaalsContact N-O 3.13Å; A325-W328 PolarHBondContact O-N 2.88Å; W328-G330 PolarHBondContact O-N 3.25Å; W328-V468 HydrophobicContact CZ2-CG1 4.15Å; W328-V468 PolarHBondContact NE1-O 3.27Å; W328-G469 PolarHBondContact NE1-O 3.42Å; W328-P471 HydrophobicContact CD2-CB 3.53Å; W328-P471 HydrophobicContact CE3-CB 3.83Å; W328-P471 HydrophobicContact CG-CB 3.86Å; W328-P471 HydrophobicContact CH2-CB 4.36Å; W328-P471 HydrophobicContact CH2-CG 4.48Å; W328-P471 HydrophobicContact CZ2-CB 4.11Å; W328-P471 HydrophobicContact CZ2-CG 4.32Å; W328-P471 HydrophobicContact CZ3-CB 4.23Å |
| 329 | A | 83.7 | Confident | 72.7 | Confident | 23 Ų | 23 | 70.8 Ų | 70.8 | 19% | 0.19 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -66.1 | -16.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | V255 A325 A326 L327 F331 | V255-A329 WeakPolarHBondContact CG1-O 3.32Å; V255-A329 WeakPolarHBondContact CG2-O 3.29Å; A325-A329 PolarHBondContact O-N 3.13Å; A325-A329 VanDerWaalsContact O-N 3.13Å; A326-A329 PolarHBondContact O-N 3.44Å; L327-A329 VanDerWaalsContact C-N 3.33Å; L327-A329 PolarHBondContact O-N 3.3Å; A329-F331 HydrophobicContact CB-CD2 3.87Å; A329-F331 HydrophobicContact CB-CE2 4.25Å |
| 330 | G | 83.3 | Confident | 75 | Confident | 5 Ų | 5 | 65.2 Ų | 65.2 | 5% | 0.052 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.5 | 20.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | S253 K291 A326 L327 W328 Y340 | S253-G330 VanDerWaalsContact CB-CA 3.49Å; K291-G330 WeakPolarHBondContact CE-O 3.48Å; A326-G330 PolarHBondContact O-N 3.09Å; A326-G330 VanDerWaalsContact O-N 3.08Å; L327-G330 WeakPolarHBondContact O-CA 3.16Å; L327-G330 PolarHBondContact O-N 3.45Å; W328-G330 PolarHBondContact O-N 3.25Å; G330-Y340 PolarHBondContact O-OH 3.13Å |
| 331 | F | 86 | Confident | 77.2 | Confident | 44 Ų | 44 | 59.4 Ų | 59.4 | 19% | 0.193 | 34% | 0.336 | C | S | . | . | trans | -113.1 | 117.8 | 176.8 | -61.1 | -68.3 | 0 | 0 | 0 | 110.8 | V255 A290 K291 F294 A326 A329 Y340 | V255-F331 HydrophobicContact CG1-CE2 4.14Å; V255-F331 HydrophobicContact CG1-CZ 4.22Å; A290-F331 HydrophobicContact CB-CE1 3.75Å; A290-F331 HydrophobicContact CB-CZ 4.05Å; K291-F331 HydrophobicContact CG-CD1 4.06Å; K291-F331 HydrophobicContact CG-CE1 4.09Å; F294-F331 HydrophobicContact CB-CD1 4.41Å; F294-F331 HydrophobicContact CD1-CB 3.88Å; F294-F331 HydrophobicContact CD2-CB 4.18Å; F294-F331 HydrophobicContact CE1-CB 3.94Å; F294-F331 HydrophobicContact CE2-CB 4.24Å; F294-F331 HydrophobicContact CG-CB 4Å; F294-F331 HydrophobicContact CG-CG 4.49Å; F294-F331 HydrophobicContact CZ-CB 4.12Å; A326-F331 CarbonylContact C-O 3.15Å; A326-F331 HydrophobicContact CB-CB 4.43Å; A326-F331 WeakPolarHBondContact CB-O 3.38Å; A326-F331 PolarHBondContact O-N 2.91Å; A329-F331 HydrophobicContact CB-CD2 3.87Å; A329-F331 HydrophobicContact CB-CE2 4.25Å; F331-Y340 WeakPolarHBondContact CA-OH 3.17Å | ||
| 332 | S | 82.7 | Confident | 79.2 | Confident | 40 Ų | 40 | 57.9 Ų | 57.9 | 28% | 0.28 | 33% | 0.325 | S | S | . | . | trans | -131.3 | 146.1 | 174.3 | 62.6 | 0 | 0 | 0 | 0 | 110.8 | Q295 Y340 | Q295-S332 PolarHBondContact NE2-O 2.85Å; S332-Y340 PolarHBondContact N-OH 2.85Å; S332-Y340 VanDerWaalsContact N-OH 3.13Å | ||
| 333 | K | 81.8 | Confident | 81.1 | Confident | 99 Ų | 99 | 56 Ų | 56 | 43% | 0.43 | 31% | 0.308 | S | S | . | . | trans | -76.5 | 123.9 | 168.9 | -69 | -165.5 | 176.1 | -169.7 | 0 | 108.2 | F294 A299 | F294-K333 HydrophobicContact CD1-CG 4.32Å; F294-K333 HydrophobicContact CE1-CG 4.05Å; A299-K333 VanDerWaalsContact O-CE 3.23Å; A299-K333 WeakPolarHBondContact O-CE 3.28Å; A299-K333 PolarHBondContact O-NZ 3.37Å | ||
| 334 | T | 83.6 | Confident | 82.7 | Confident | 37 Ų | 37 | 51.2 Ų | 51.2 | 23% | 0.227 | 29% | 0.285 | C | S | . | . | trans | -127.8 | 143.3 | -173.8 | -178.5 | 0 | 0 | 0 | 0 | 111.5 | S336 Y340 | T334-S336 PolarHBondContact O-N 2.83Å; T334-S336 PolarHBondContact OG1-N 2.85Å; T334-Y340 HydrophobicContact CG2-CD1 3.89Å; T334-Y340 HydrophobicContact CG2-CG 4.01Å | ||
| 335 | N | 79.5 | Confident | 84 | Confident | 159 Ų | 159 | 49.7 Ų | 49.7 | 85% | 0.85 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -73.3 | -14 | 173.6 | -67.7 | -18.1 | 0 | 0 | 0 | 112.5 | Q72 | Q72-N335 VanDerWaalsContact NE2-C 3.3Å; Q72-N335 PolarHBondContact NE2-O 3.22Å; Q72-N335 PolarHBondContact OE1-O 3.26Å |
| 336 | S | 84.4 | Confident | 84.9 | Confident | 52 Ų | 52 | 55 Ų | 55 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | trans | -136.4 | 89 | -176.2 | 60.8 | 0 | 0 | 0 | 0 | 111.8 | Q72 T334 S338 S339 Y340 | Q72-S336 VanDerWaalsContact NE2-CA 3.35Å; T334-S336 PolarHBondContact O-N 2.83Å; T334-S336 PolarHBondContact OG1-N 2.85Å; S336-S338 PolarHBondContact O-N 3.29Å; S336-S339 PolarHBondContact O-N 3.21Å; S336-Y340 PolarHBondContact O-N 3.07Å | ||
| 337 | I | 85.2 | Confident | 85.6 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58 | -32.3 | 178.6 | -167.2 | 87.5 | 0 | 0 | 0 | 111.8 | I70 Q72 V74 M292 Q295 S339 Y340 L341 | I70-I337 HydrophobicContact CG2-CG2 3.95Å; I70-I337 WeakPolarHBondContact O-CG2 3.43Å; Q72-I337 HydrophobicContact CG-CG2 3.7Å; V74-I337 HydrophobicContact CG2-CB 4.38Å; V74-I337 HydrophobicContact CG2-CD1 4.34Å; V74-I337 HydrophobicContact CG2-CG1 4.37Å; V74-I337 HydrophobicContact CG2-CG2 4.33Å; M292-I337 HydrophobicContact CG-CD1 3.97Å; M292-I337 HydrophobicContact CG-CG1 4.33Å; M292-I337 HydrophobicContact SD-CD1 4.48Å; M292-I337 HydrophobicContact SD-CG1 4.26Å; Q295-I337 HydrophobicContact CG-CD1 3.58Å; I337-S339 PolarHBondContact O-N 3.4Å; I337-Y340 PolarHBondContact O-N 3.24Å; I337-L341 HydrophobicContact CD1-CD1 4.32Å; I337-L341 HydrophobicContact CG1-CD1 3.83Å; I337-L341 HydrophobicContact CG1-CG 4.35Å; I337-L341 PolarHBondContact O-N 3.42Å |
| 338 | S | 83.9 | Confident | 86.3 | Confident | 68 Ų | 68 | 49 Ų | 49 | 48% | 0.476 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 179.7 | -173.5 | 0 | 0 | 0 | 0 | 113.2 | S336 Y340 E342 | S336-S338 PolarHBondContact O-N 3.29Å; S338-Y340 VanDerWaalsContact C-N 3.34Å; S338-E342 PolarHBondContact O-N 3.08Å; S338-E342 VanDerWaalsContact O-N 3.15Å |
| 339 | S | 86.1 | Confident | 86.6 | Confident | 76 Ų | 76 | 48.3 Ų | 48.3 | 53% | 0.531 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -71.5 | -36.4 | 178.2 | 177.1 | 0 | 0 | 0 | 0 | 110.5 | S336 I337 L341 E342 | S336-S339 PolarHBondContact O-N 3.21Å; I337-S339 PolarHBondContact O-N 3.4Å; S339-L341 VanDerWaalsContact C-N 3.32Å; S339-L341 PolarHBondContact O-N 3.1Å; S339-E342 WeakPolarHBondContact O-CB 3.42Å; S339-E342 PolarHBondContact O-N 2.96Å |
| 340 | Y | 88.1 | Confident | 86.9 | Confident | 29 Ų | 29 | 48.4 Ų | 48.4 | 11% | 0.114 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.4 | -28.2 | -179.3 | -170 | -134.4 | 0 | 0 | 0 | 114 | E251 K291 G330 F331 S332 T334 S336 I337 S338 | E251-Y340 WeakPolarHBondContact OE1-CE2 3.46Å; K291-Y340 HydrophobicContact CB-CD1 4.3Å; K291-Y340 HydrophobicContact CB-CE1 3.77Å; K291-Y340 HydrophobicContact CD-CD1 4.08Å; K291-Y340 HydrophobicContact CD-CE1 3.54Å; K291-Y340 HydrophobicContact CD-CE2 4.35Å; K291-Y340 WeakPolarHBondContact CE-OH 3.44Å; K291-Y340 HydrophobicContact CG-CD1 4.46Å; K291-Y340 HydrophobicContact CG-CE1 3.64Å; K291-Y340 VanDerWaalsContact NZ-CZ 3.33Å; G330-Y340 PolarHBondContact O-OH 3.13Å; F331-Y340 WeakPolarHBondContact CA-OH 3.17Å; S332-Y340 PolarHBondContact N-OH 2.85Å; S332-Y340 VanDerWaalsContact N-OH 3.13Å; T334-Y340 HydrophobicContact CG2-CD1 3.89Å; T334-Y340 HydrophobicContact CG2-CG 4.01Å; S336-Y340 PolarHBondContact O-N 3.07Å; I337-Y340 PolarHBondContact O-N 3.24Å; S338-Y340 VanDerWaalsContact C-N 3.34Å |
| 341 | L | 88.7 | Confident | 87.1 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 0.5 | 176.3 | -67.7 | 176.7 | 0 | 0 | 0 | 114 | M82 A288 K291 M292 I337 S339 N343 Y344 I345 | M82-L341 HydrophobicContact CE-CD1 4.18Å; A288-L341 HydrophobicContact CB-CD2 3.97Å; K291-L341 HydrophobicContact CB-CD2 4.21Å; K291-L341 HydrophobicContact CD-CD2 4.12Å; M292-L341 HydrophobicContact CG-CD1 3.73Å; M292-L341 HydrophobicContact SD-CD1 3.83Å; I337-L341 HydrophobicContact CD1-CD1 4.32Å; I337-L341 HydrophobicContact CG1-CD1 3.83Å; I337-L341 HydrophobicContact CG1-CG 4.35Å; I337-L341 PolarHBondContact O-N 3.42Å; S339-L341 VanDerWaalsContact C-N 3.32Å; S339-L341 PolarHBondContact O-N 3.1Å; L341-N343 PolarHBondContact O-N 3.41Å; L341-Y344 HydrophobicContact CD2-CD2 4.42Å; L341-Y344 PolarHBondContact O-N 3.31Å; L341-I345 HydrophobicContact CB-CD1 3.96Å; L341-I345 HydrophobicContact CB-CG1 4.34Å; L341-I345 WeakPolarHBondContact O-CD1 3.37Å; L341-I345 VanDerWaalsContact O-CG1 3.3Å; L341-I345 WeakPolarHBondContact O-CG1 3.5Å; L341-I345 PolarHBondContact O-N 3.32Å |
| 342 | E | 89.9 | Confident | 87.2 | Confident | 97 Ų | 97 | 46.8 Ų | 46.8 | 45% | 0.453 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -54.4 | -51.6 | -171.8 | -179 | 172.7 | -177.7 | 0 | 0 | 112.7 | S338 S339 Y344 I345 W346 | S338-E342 PolarHBondContact O-N 3.08Å; S338-E342 VanDerWaalsContact O-N 3.15Å; S339-E342 WeakPolarHBondContact O-CB 3.42Å; S339-E342 PolarHBondContact O-N 2.96Å; E342-Y344 VanDerWaalsContact C-N 3.3Å; E342-Y344 PolarHBondContact O-N 2.89Å; E342-I345 PolarHBondContact O-N 3.29Å; E342-W346 VanDerWaalsContact O-CD1 3.22Å; E342-W346 PolarHBondContact O-N 3.4Å |
| 343 | N | 90.6 | Very high | 87.5 | Confident | 46 Ų | 46 | 47.2 Ų | 47.2 | 25% | 0.246 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.2 | -35.8 | 179.5 | -71.2 | -27.2 | 0 | 0 | 0 | 112.3 | F243 V247 S250 L341 L347 | F243-N343 WeakPolarHBondContact CE1-O 3.35Å; V247-N343 HydrophobicContact CG2-CB 4.17Å; S250-N343 VanDerWaalsContact CB-ND2 3.32Å; S250-N343 WeakPolarHBondContact CB-ND2 3.45Å; L341-N343 PolarHBondContact O-N 3.41Å; N343-L347 WeakPolarHBondContact O-CB 3.49Å; N343-L347 PolarHBondContact O-N 3.38Å |
| 344 | Y | 91 | Very high | 87.8 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -72.3 | -39.1 | 177.5 | -61.4 | -92 | 0 | 0 | 0 | 111.7 | V247 E251 N256 F259 A284 I287 K291 L341 E342 L347 F348 | V247-Y344 HydrophobicContact CG1-CD1 4.45Å; V247-Y344 HydrophobicContact CG1-CE1 4.11Å; E251-Y344 PolarHBondContact OE2-OH 2.78Å; E251-Y344 VanDerWaalsContact OE2-OH 3.12Å; N256-Y344 PolarHBondContact ND2-OH 2.98Å; N256-Y344 PolarHBondContact OD1-OH 3.44Å; F259-Y344 AromaticContact CE2-CE1 3.89Å; F259-Y344 HydrophobicContact CE2-CE1 3.89Å; F259-Y344 HydrophobicContact CZ-CE1 4.08Å; A284-Y344 HydrophobicContact CB-CD1 4.37Å; I287-Y344 HydrophobicContact CB-CE1 4.28Å; I287-Y344 HydrophobicContact CG2-CE1 3.74Å; K291-Y344 HydrophobicContact CD-CE2 4.39Å; L341-Y344 HydrophobicContact CD2-CD2 4.42Å; L341-Y344 PolarHBondContact O-N 3.31Å; E342-Y344 VanDerWaalsContact C-N 3.3Å; E342-Y344 PolarHBondContact O-N 2.89Å; Y344-L347 WeakPolarHBondContact O-CB 3.3Å; Y344-L347 PolarHBondContact O-N 3.27Å; Y344-F348 WeakPolarHBondContact O-CD2 3.5Å; Y344-F348 WeakPolarHBondContact O-CE2 3.46Å; Y344-F348 WeakPolarHBondContact O-CG 3.24Å; Y344-F348 PolarHBondContact O-N 2.98Å |
| 345 | I | 89 | Confident | 88 | Confident | 21 Ų | 21 | 42.3 Ų | 42.3 | 11% | 0.108 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.4 | -46.7 | 176 | -66.7 | 158.1 | 0 | 0 | 0 | 110.3 | M66 I70 L341 E342 L347 F348 I349 | M66-I345 HydrophobicContact SD-CG2 3.64Å; I70-I345 HydrophobicContact CD1-CD1 3.37Å; I70-I345 HydrophobicContact CD1-CG1 4.17Å; I70-I345 HydrophobicContact CG1-CD1 4.35Å; L341-I345 HydrophobicContact CB-CD1 3.96Å; L341-I345 HydrophobicContact CB-CG1 4.34Å; L341-I345 WeakPolarHBondContact O-CD1 3.37Å; L341-I345 VanDerWaalsContact O-CG1 3.3Å; L341-I345 WeakPolarHBondContact O-CG1 3.5Å; L341-I345 PolarHBondContact O-N 3.32Å; E342-I345 PolarHBondContact O-N 3.29Å; I345-L347 VanDerWaalsContact C-N 3.28Å; I345-L347 PolarHBondContact O-N 2.92Å; I345-F348 PolarHBondContact O-N 2.86Å; I345-I349 HydrophobicContact CG2-CD1 3.92Å; I345-I349 WeakPolarHBondContact O-CG1 3.49Å; I345-I349 PolarHBondContact O-N 3.11Å |
| 346 | W | 90.5 | Very high | 88.3 | Confident | 135 Ų | 135 | 36.6 Ų | 36.6 | 51% | 0.511 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.8 | -38.3 | 174.6 | -78.8 | 116.2 | 0 | 0 | 0 | 112.4 | F243 E342 I349 L350 | F243-W346 HydrophobicContact CE1-CB 3.66Å; F243-W346 HydrophobicContact CE2-CB 4.43Å; F243-W346 HydrophobicContact CZ-CB 3.4Å; F243-W346 VanDerWaalsContact CZ-CB 3.4Å; F243-W346 HydrophobicContact CZ-CG 4.32Å; E342-W346 VanDerWaalsContact O-CD1 3.22Å; E342-W346 PolarHBondContact O-N 3.4Å; W346-I349 HydrophobicContact CE3-CD1 4.34Å; W346-I349 PolarHBondContact O-N 3.48Å; W346-L350 VanDerWaalsContact O-CB 3.32Å; W346-L350 WeakPolarHBondContact O-CB 3.31Å; W346-L350 PolarHBondContact O-N 2.98Å |
| 347 | L | 91.1 | Very high | 88.4 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.3 | -47.2 | 175 | 177.3 | 62.3 | 0 | 0 | 0 | 110.8 | F243 V244 V247 V280 A284 N343 Y344 I345 I349 L350 M351 | F243-L347 HydrophobicContact CD1-CB 3.97Å; F243-L347 HydrophobicContact CD1-CD1 4.04Å; F243-L347 HydrophobicContact CE1-CB 3.92Å; V244-L347 HydrophobicContact CG2-CD1 3.53Å; V244-L347 HydrophobicContact CG2-CD2 4.48Å; V247-L347 HydrophobicContact CG2-CB 4.39Å; V247-L347 HydrophobicContact CG2-CD2 4.47Å; V280-L347 HydrophobicContact CG1-CD2 4.34Å; A284-L347 HydrophobicContact CB-CD2 3.95Å; N343-L347 WeakPolarHBondContact O-CB 3.49Å; N343-L347 PolarHBondContact O-N 3.38Å; Y344-L347 WeakPolarHBondContact O-CB 3.3Å; Y344-L347 PolarHBondContact O-N 3.27Å; I345-L347 VanDerWaalsContact C-N 3.28Å; I345-L347 PolarHBondContact O-N 2.92Å; L347-I349 PolarHBondContact O-N 3.32Å; L347-L350 PolarHBondContact O-N 3.14Å; L347-M351 HydrophobicContact CD1-CG 4.12Å; L347-M351 HydrophobicContact CG-CG 4.42Å; L347-M351 WeakPolarHBondContact O-CB 3.49Å; L347-M351 WeakPolarHBondContact O-CG 3.41Å; L347-M351 PolarHBondContact O-N 3.21Å |
| 348 | F | 90.5 | Very high | 88.5 | Confident | 5 Ų | 5 | 37 Ų | 37 | 2% | 0.022 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.1 | -40.9 | 177.5 | -63.2 | -54.4 | 0 | 0 | 0 | 112.9 | L86 I89 A284 A285 A288 Y344 I345 L350 M351 A352 | L86-F348 HydrophobicContact CD2-CD1 4.06Å; L86-F348 HydrophobicContact CD2-CD2 3.7Å; L86-F348 HydrophobicContact CD2-CE1 3.78Å; L86-F348 HydrophobicContact CD2-CE2 3.41Å; L86-F348 VanDerWaalsContact CD2-CE2 3.41Å; L86-F348 HydrophobicContact CD2-CG 4.05Å; L86-F348 HydrophobicContact CD2-CZ 3.45Å; L86-F348 VanDerWaalsContact CD2-CZ 3.45Å; I89-F348 HydrophobicContact CD1-CB 3.94Å; A284-F348 HydrophobicContact CB-CE1 3.79Å; A284-F348 HydrophobicContact CB-CZ 3.79Å; A285-F348 HydrophobicContact CB-CE1 4.3Å; A285-F348 HydrophobicContact CB-CZ 4.27Å; A288-F348 HydrophobicContact CB-CE2 4.25Å; A288-F348 HydrophobicContact CB-CZ 4.42Å; Y344-F348 WeakPolarHBondContact O-CD2 3.5Å; Y344-F348 WeakPolarHBondContact O-CE2 3.46Å; Y344-F348 WeakPolarHBondContact O-CG 3.24Å; Y344-F348 PolarHBondContact O-N 2.98Å; I345-F348 PolarHBondContact O-N 2.86Å; F348-L350 VanDerWaalsContact C-N 3.33Å; F348-L350 PolarHBondContact O-N 2.89Å; F348-M351 PolarHBondContact O-N 3.39Å; F348-A352 VanDerWaalsContact O-CB 3.3Å; F348-A352 WeakPolarHBondContact O-CB 3.28Å; F348-A352 PolarHBondContact O-N 2.91Å |
| 349 | I | 88.4 | Confident | 88.4 | Confident | 71 Ų | 71 | 36.5 Ų | 36.5 | 36% | 0.364 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.6 | -43.4 | 175.3 | -68.4 | 168.4 | 0 | 0 | 0 | 110.6 | I345 W346 L347 A352 F353 | I345-I349 HydrophobicContact CG2-CD1 3.92Å; I345-I349 WeakPolarHBondContact O-CG1 3.49Å; I345-I349 PolarHBondContact O-N 3.11Å; W346-I349 HydrophobicContact CE3-CD1 4.34Å; W346-I349 PolarHBondContact O-N 3.48Å; L347-I349 PolarHBondContact O-N 3.32Å; I349-A352 PolarHBondContact O-N 3Å; I349-F353 VanDerWaalsContact O-CB 3.32Å; I349-F353 WeakPolarHBondContact O-CB 3.33Å; I349-F353 PolarHBondContact O-N 2.97Å |
| 350 | L | 90.2 | Very high | 88.4 | Confident | 25 Ų | 25 | 36 Ų | 36 | 13% | 0.131 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -67.2 | -40.5 | -179.8 | -170.1 | 68.6 | 0 | 0 | 0 | 111.8 | I236 L239 V240 F243 W346 L347 F348 F353 Q354 | I236-L350 HydrophobicContact CD1-CD1 3.87Å; L239-L350 HydrophobicContact CD2-CD1 3.81Å; L239-L350 HydrophobicContact CG-CD1 4.28Å; L239-L350 HydrophobicContact CG-CD2 4.33Å; V240-L350 HydrophobicContact CB-CD2 4.38Å; V240-L350 HydrophobicContact CG2-CD2 3.77Å; V240-L350 HydrophobicContact CG2-CG 3.68Å; F243-L350 HydrophobicContact CB-CD2 3.54Å; F243-L350 HydrophobicContact CD1-CD2 4.27Å; F243-L350 HydrophobicContact CG-CD2 3.91Å; W346-L350 VanDerWaalsContact O-CB 3.32Å; W346-L350 WeakPolarHBondContact O-CB 3.31Å; W346-L350 PolarHBondContact O-N 2.98Å; L347-L350 PolarHBondContact O-N 3.14Å; F348-L350 VanDerWaalsContact C-N 3.33Å; F348-L350 PolarHBondContact O-N 2.89Å; L350-F353 PolarHBondContact O-N 3.04Å; L350-Q354 PolarHBondContact O-N 2.85Å |
| 351 | M | 88.8 | Confident | 88.2 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.4 | -41.4 | 174.8 | -68.2 | -69.1 | -78.7 | 0 | 0 | 111.7 | L93 V240 C277 C281 L347 F348 Q354 V355 | L93-M351 HydrophobicContact CD1-CB 4.44Å; L93-M351 HydrophobicContact CD2-CB 4.48Å; L93-M351 HydrophobicContact CD2-CE 4.16Å; V240-M351 HydrophobicContact CB-SD 4.47Å; V240-M351 HydrophobicContact CG1-SD 3.35Å; V240-M351 WeakPolarHBondContact CG1-SD 3.44Å; V240-M351 HydrophobicContact CG2-SD 4.24Å; C277-M351 HydrophobicContact CB-CE 3.59Å; C277-M351 WeakPolarHBondContact O-CE 3.46Å; C281-M351 HydrophobicContact CB-CE 4.29Å; L347-M351 HydrophobicContact CD1-CG 4.12Å; L347-M351 HydrophobicContact CG-CG 4.42Å; L347-M351 WeakPolarHBondContact O-CB 3.49Å; L347-M351 WeakPolarHBondContact O-CG 3.41Å; L347-M351 PolarHBondContact O-N 3.21Å; F348-M351 PolarHBondContact O-N 3.39Å; M351-Q354 WeakPolarHBondContact O-CB 3.38Å; M351-Q354 PolarHBondContact O-N 2.72Å; M351-V355 PolarHBondContact O-N 3.46Å |
| 352 | A | 86.9 | Confident | 87.9 | Confident | 15 Ų | 15 | 38.9 Ų | 38.9 | 12% | 0.124 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.7 | -44 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I89 M92 F348 I349 Q354 V355 I356 | I89-A352 HydrophobicContact CG2-CB 4.43Å; M92-A352 HydrophobicContact CE-CB 3.49Å; M92-A352 VanDerWaalsContact CE-CB 3.49Å; F348-A352 VanDerWaalsContact O-CB 3.3Å; F348-A352 WeakPolarHBondContact O-CB 3.28Å; F348-A352 PolarHBondContact O-N 2.91Å; I349-A352 PolarHBondContact O-N 3Å; A352-Q354 VanDerWaalsContact C-N 3.34Å; A352-Q354 PolarHBondContact O-N 3.42Å; A352-V355 PolarHBondContact O-N 3.32Å; A352-I356 WeakPolarHBondContact O-CG1 3.45Å; A352-I356 PolarHBondContact O-N 3.25Å; A352-I356 VanDerWaalsContact O-N 3.1Å |
| 353 | F | 88.9 | Confident | 87.5 | Confident | 49 Ų | 49 | 37.4 Ų | 37.4 | 22% | 0.215 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.9 | -37.4 | 178.6 | -170.9 | -117 | 0 | 0 | 0 | 112.5 | W229 L232 I236 I349 L350 V355 I356 V357 | W229-F353 HydrophobicContact CH2-CE2 4.09Å; W229-F353 HydrophobicContact CH2-CZ 4.31Å; W229-F353 HydrophobicContact CZ3-CE2 4.07Å; W229-F353 HydrophobicContact CZ3-CZ 4.03Å; L232-F353 HydrophobicContact CD1-CE1 4.06Å; L232-F353 HydrophobicContact CD1-CZ 3.89Å; L232-F353 HydrophobicContact CD2-CE1 4.25Å; I236-F353 HydrophobicContact CD1-CD1 3.77Å; I236-F353 HydrophobicContact CD1-CE1 4.27Å; I236-F353 HydrophobicContact CG1-CD1 4.48Å; I349-F353 VanDerWaalsContact O-CB 3.32Å; I349-F353 WeakPolarHBondContact O-CB 3.33Å; I349-F353 PolarHBondContact O-N 2.97Å; L350-F353 PolarHBondContact O-N 3.04Å; F353-V355 VanDerWaalsContact C-N 3.33Å; F353-V355 PolarHBondContact O-N 3.08Å; F353-I356 PolarHBondContact O-N 3.31Å; F353-V357 HydrophobicContact CD1-CG2 4.09Å; F353-V357 HydrophobicContact CD2-CG2 4.49Å; F353-V357 HydrophobicContact CE1-CG2 3.79Å; F353-V357 HydrophobicContact CE2-CG2 4.21Å; F353-V357 HydrophobicContact CG-CG2 4.43Å; F353-V357 HydrophobicContact CZ-CG2 3.86Å; F353-V357 VanDerWaalsContact O-CG2 3.29Å; F353-V357 WeakPolarHBondContact O-CG2 3.12Å; F353-V357 PolarHBondContact O-N 3.39Å |
| 354 | Q | 89.4 | Confident | 86.9 | Confident | 13 Ų | 13 | 37.5 Ų | 37.5 | 6% | 0.061 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -53.8 | -49.2 | 172.4 | 178.6 | -176.8 | -44.6 | 0 | 0 | 111.4 | I236 V240 L350 M351 A352 V357 F358 | I236-Q354 HydrophobicContact CG1-CB 3.96Å; I236-Q354 HydrophobicContact CG1-CG 4.37Å; I236-Q354 HydrophobicContact CG2-CG 4.17Å; V240-Q354 HydrophobicContact CG2-CB 4.43Å; L350-Q354 PolarHBondContact O-N 2.85Å; M351-Q354 WeakPolarHBondContact O-CB 3.38Å; M351-Q354 PolarHBondContact O-N 2.72Å; A352-Q354 VanDerWaalsContact C-N 3.34Å; A352-Q354 PolarHBondContact O-N 3.42Å; Q354-V357 PolarHBondContact O-N 2.95Å; Q354-F358 HydrophobicContact CG-CD2 3.86Å; Q354-F358 HydrophobicContact CG-CE2 3.61Å; Q354-F358 WeakPolarHBondContact O-CD2 3.44Å; Q354-F358 PolarHBondContact O-N 3.01Å |
| 355 | V | 86.4 | Confident | 86.5 | Confident | 19 Ų | 19 | 39.6 Ų | 39.6 | 12% | 0.115 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.5 | -41.8 | 179.5 | -179.6 | 0 | 0 | 0 | 0 | 111 | M92 L93 F96 M351 A352 F353 V357 F358 Q359 | M92-V355 HydrophobicContact CE-CB 4.26Å; M92-V355 HydrophobicContact CG-CG1 4.14Å; L93-V355 HydrophobicContact CD2-CG2 3.66Å; L93-V355 HydrophobicContact CG-CG2 4.05Å; F96-V355 HydrophobicContact CD2-CG1 4.48Å; M351-V355 PolarHBondContact O-N 3.46Å; A352-V355 PolarHBondContact O-N 3.32Å; F353-V355 VanDerWaalsContact C-N 3.33Å; F353-V355 PolarHBondContact O-N 3.08Å; V355-V357 PolarHBondContact O-N 3.19Å; V355-F358 PolarHBondContact O-N 2.91Å; V355-Q359 HydrophobicContact CG1-CG 4.09Å; V355-Q359 WeakPolarHBondContact O-CB 3.11Å; V355-Q359 WeakPolarHBondContact O-CG 3.26Å; V355-Q359 PolarHBondContact O-N 3.26Å |
| 356 | I | 86.6 | Confident | 86.1 | Confident | 39 Ų | 39 | 42.6 Ų | 42.6 | 20% | 0.2 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.8 | -44.3 | 178.4 | -67.2 | 165.6 | 0 | 0 | 0 | 111.5 | Y59 A352 F353 R360 | Y59-I356 HydrophobicContact CE1-CD1 4.05Å; A352-I356 WeakPolarHBondContact O-CG1 3.45Å; A352-I356 PolarHBondContact O-N 3.25Å; A352-I356 VanDerWaalsContact O-N 3.1Å; F353-I356 PolarHBondContact O-N 3.31Å; I356-R360 VanDerWaalsContact O-CB 3.22Å; I356-R360 WeakPolarHBondContact O-CB 3.39Å; I356-R360 PolarHBondContact O-N 2.84Å |
| 357 | V | 87.3 | Confident | 85.2 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.8 | -50.5 | 178.4 | 171.3 | 0 | 0 | 0 | 0 | 110.2 | W229 L232 E233 F353 Q354 V355 R360 Q361 | W229-V357 HydrophobicContact CE3-CG2 4.12Å; W229-V357 HydrophobicContact CZ3-CG2 3.8Å; L232-V357 HydrophobicContact CB-CG1 4.15Å; L232-V357 HydrophobicContact CB-CG2 4.33Å; E233-V357 HydrophobicContact CB-CG1 4.02Å; F353-V357 HydrophobicContact CD1-CG2 4.09Å; F353-V357 HydrophobicContact CD2-CG2 4.49Å; F353-V357 HydrophobicContact CE1-CG2 3.79Å; F353-V357 HydrophobicContact CE2-CG2 4.21Å; F353-V357 HydrophobicContact CG-CG2 4.43Å; F353-V357 HydrophobicContact CZ-CG2 3.86Å; F353-V357 VanDerWaalsContact O-CG2 3.29Å; F353-V357 WeakPolarHBondContact O-CG2 3.12Å; F353-V357 PolarHBondContact O-N 3.39Å; Q354-V357 PolarHBondContact O-N 2.95Å; V355-V357 PolarHBondContact O-N 3.19Å; V357-R360 PolarHBondContact O-N 3.13Å; V357-Q361 WeakPolarHBondContact O-CG 3.29Å; V357-Q361 PolarHBondContact O-N 3.01Å; V357-Q361 VanDerWaalsContact O-N 3.17Å |
| 358 | F | 85.8 | Confident | 84.5 | Confident | 62 Ų | 62 | 45.6 Ų | 45.6 | 27% | 0.272 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.4 | -45.9 | 180 | -75.4 | -58.3 | 0 | 0 | 0 | 112.4 | E233 I236 T237 Q354 V355 R360 Q361 I362 | E233-F358 HydrophobicContact CG-CD1 3.96Å; E233-F358 HydrophobicContact CG-CE1 3.8Å; I236-F358 HydrophobicContact CG2-CE2 4.19Å; I236-F358 HydrophobicContact CG2-CZ 4.3Å; T237-F358 HydrophobicContact CG2-CE2 3.95Å; T237-F358 HydrophobicContact CG2-CZ 3.63Å; Q354-F358 HydrophobicContact CG-CD2 3.86Å; Q354-F358 HydrophobicContact CG-CE2 3.61Å; Q354-F358 WeakPolarHBondContact O-CD2 3.44Å; Q354-F358 PolarHBondContact O-N 3.01Å; V355-F358 PolarHBondContact O-N 2.91Å; F358-R360 PolarHBondContact O-N 2.96Å; F358-Q361 PolarHBondContact O-N 3.17Å; F358-I362 WeakPolarHBondContact O-CG1 3.42Å; F358-I362 PolarHBondContact O-N 3.09Å |
| 359 | Q | 83.1 | Confident | 83.8 | Confident | 59 Ų | 59 | 48.8 Ų | 48.8 | 28% | 0.276 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 179.9 | -71.3 | -63.3 | -12.9 | 0 | 0 | 112.7 | F96 V355 Q361 I362 Y363 | F96-Q359 HydrophobicContact CB-CG 4.03Å; F96-Q359 VanDerWaalsContact CB-NE2 3.34Å; F96-Q359 HydrophobicContact CD1-CB 4.48Å; F96-Q359 HydrophobicContact CD1-CG 3.89Å; F96-Q359 HydrophobicContact CD2-CG 4.03Å; F96-Q359 HydrophobicContact CE1-CB 4.48Å; F96-Q359 HydrophobicContact CE1-CG 4.35Å; F96-Q359 HydrophobicContact CE2-CG 4.48Å; F96-Q359 HydrophobicContact CG-CG 3.71Å; V355-Q359 HydrophobicContact CG1-CG 4.09Å; V355-Q359 WeakPolarHBondContact O-CB 3.11Å; V355-Q359 WeakPolarHBondContact O-CG 3.26Å; V355-Q359 PolarHBondContact O-N 3.26Å; Q359-Q361 VanDerWaalsContact C-N 3.29Å; Q359-Q361 PolarHBondContact O-N 2.95Å; Q359-I362 PolarHBondContact O-N 3.26Å; Q359-Y363 VanDerWaalsContact O-CB 3.31Å; Q359-Y363 WeakPolarHBondContact O-CB 3.09Å; Q359-Y363 PolarHBondContact O-N 3.35Å |
| 360 | R | 84.8 | Confident | 83.1 | Confident | 65 Ų | 65 | 49.4 Ų | 49.4 | 25% | 0.245 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.7 | -40.7 | 175.1 | 179.8 | 178.4 | 177.4 | -82.5 | 3 | 111.6 | W229 I356 V357 F358 K364 | W229-R360 VanDerWaalsContact CD2-NH1 3.28Å; W229-R360 VanDerWaalsContact CG-CZ 3.42Å; W229-R360 VanDerWaalsContact NE1-CZ 3.33Å; I356-R360 VanDerWaalsContact O-CB 3.22Å; I356-R360 WeakPolarHBondContact O-CB 3.39Å; I356-R360 PolarHBondContact O-N 2.84Å; V357-R360 PolarHBondContact O-N 3.13Å; F358-R360 PolarHBondContact O-N 2.96Å; R360-K364 WeakPolarHBondContact O-CB 3.16Å; R360-K364 PolarHBondContact O-N 3.37Å |
| 361 | Q | 85.1 | Confident | 82.5 | Confident | 9 Ų | 9 | 52.1 Ų | 52.1 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.9 | -41.8 | 179.2 | -67.1 | -66.9 | 3.6 | 0 | 0 | 111.7 | W229 E233 V357 F358 Q359 Y363 K364 R365 | W229-Q361 VanDerWaalsContact CB-NE2 3.33Å; W229-Q361 PolarHBondContact O-NE2 3.39Å; E233-Q361 HydrophobicContact CB-CG 4.25Å; E233-Q361 HydrophobicContact CG-CG 4.22Å; V357-Q361 WeakPolarHBondContact O-CG 3.29Å; V357-Q361 PolarHBondContact O-N 3.01Å; V357-Q361 VanDerWaalsContact O-N 3.17Å; F358-Q361 PolarHBondContact O-N 3.17Å; Q359-Q361 VanDerWaalsContact C-N 3.29Å; Q359-Q361 PolarHBondContact O-N 2.95Å; Q361-Y363 PolarHBondContact O-N 3.3Å; Q361-K364 PolarHBondContact O-N 3.36Å; Q361-R365 VanDerWaalsContact O-CG 3.26Å; Q361-R365 WeakPolarHBondContact O-CG 3.37Å; Q361-R365 PolarHBondContact O-N 3.31Å |
| 362 | I | 82.7 | Confident | 81.8 | Confident | 82 Ų | 82 | 55.9 Ų | 55.9 | 42% | 0.421 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.8 | -49.1 | 172.5 | -66.5 | 166.4 | 0 | 0 | 0 | 110.1 | F358 Q359 K364 R365 T366 | F358-I362 WeakPolarHBondContact O-CG1 3.42Å; F358-I362 PolarHBondContact O-N 3.09Å; Q359-I362 PolarHBondContact O-N 3.26Å; I362-K364 PolarHBondContact O-N 3.05Å; I362-R365 PolarHBondContact O-N 3.19Å; I362-T366 WeakPolarHBondContact O-CG2 3.18Å; I362-T366 PolarHBondContact O-N 3.31Å; I362-T366 PolarHBondContact O-OG1 3.01Å |
| 363 | Y | 79.9 | Confident | 81.1 | Confident | 66 Ų | 66 | 56 Ų | 56 | 26% | 0.259 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 177.8 | 178.2 | -92.9 | 0 | 0 | 0 | 112.8 | I185 P188 Q359 Q361 R365 T366 V367 | I185-Y363 PolarHBondContact O-OH 2.97Å; P188-Y363 HydrophobicContact CB-CD2 4.43Å; P188-Y363 HydrophobicContact CB-CE2 4.36Å; Q359-Y363 VanDerWaalsContact O-CB 3.31Å; Q359-Y363 WeakPolarHBondContact O-CB 3.09Å; Q359-Y363 PolarHBondContact O-N 3.35Å; Q361-Y363 PolarHBondContact O-N 3.3Å; Y363-R365 VanDerWaalsContact C-N 3.31Å; Y363-R365 PolarHBondContact O-N 3.48Å; Y363-T366 WeakPolarHBondContact CA-OG1 3.47Å; Y363-T366 PolarHBondContact O-N 3.29Å; Y363-T366 PolarHBondContact O-OG1 2.94Å; Y363-V367 HydrophobicContact CD1-CG2 4.22Å; Y363-V367 HydrophobicContact CD2-CG2 4.43Å; Y363-V367 HydrophobicContact CE1-CG2 3.79Å; Y363-V367 HydrophobicContact CE2-CG2 4.03Å; Y363-V367 WeakPolarHBondContact O-CB 3.38Å; Y363-V367 VanDerWaalsContact O-CG2 3.26Å; Y363-V367 WeakPolarHBondContact O-CG2 3.4Å; Y363-V367 PolarHBondContact O-N 3.02Å |
| 364 | K | 79.3 | Confident | 80.4 | Confident | 48 Ų | 48 | 57.6 Ų | 57.6 | 21% | 0.209 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 177.9 | -177.3 | -177.3 | 175.5 | -176.7 | 0 | 111.6 | D226 R360 Q361 I362 K368 | D226-K364 IonicContact OD1-NZ 2.86Å; D226-K364 PolarHBondContact OD1-NZ 3.44Å; D226-K364 IonicContact OD2-NZ 3Å; D226-K364 PolarHBondContact OD2-NZ 3.19Å; R360-K364 WeakPolarHBondContact O-CB 3.16Å; R360-K364 PolarHBondContact O-N 3.37Å; Q361-K364 PolarHBondContact O-N 3.36Å; I362-K364 PolarHBondContact O-N 3.05Å; K364-K368 HydrophobicContact CG-CD 4.44Å; K364-K368 WeakPolarHBondContact O-CB 3.46Å; K364-K368 WeakPolarHBondContact O-CG 3.44Å; K364-K368 PolarHBondContact O-N 3.48Å; K364-K368 VanDerWaalsContact O-N 3.11Å |
| 365 | R | 82.6 | Confident | 79.6 | Confident | 45 Ų | 45 | 62.1 Ų | 62.1 | 17% | 0.17 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67 | -45.3 | 179 | -72.5 | 168.5 | -174.6 | 141.8 | 10.7 | 111.7 | R230 E233 Q361 I362 Y363 K368 G369 V370 | R230-R365 VanDerWaalsContact NH1-NH2 3.19Å; E233-R365 IonicContact OE1-CZ 2.97Å; E233-R365 VanDerWaalsContact OE1-CZ 3.24Å; E233-R365 IonicContact OE1-NH1 2.64Å; E233-R365 PolarHBondContact OE1-NH1 3.19Å; E233-R365 IonicContact OE1-NH2 2.69Å; E233-R365 PolarHBondContact OE1-NH2 3.47Å; E233-R365 IonicContact OE2-CZ 2.73Å; E233-R365 IonicContact OE2-NH2 3.89Å; E233-R365 PolarHBondContact OE2-NH2 3.24Å; Q361-R365 VanDerWaalsContact O-CG 3.26Å; Q361-R365 WeakPolarHBondContact O-CG 3.37Å; Q361-R365 PolarHBondContact O-N 3.31Å; I362-R365 PolarHBondContact O-N 3.19Å; Y363-R365 VanDerWaalsContact C-N 3.31Å; Y363-R365 PolarHBondContact O-N 3.48Å; R365-K368 PolarHBondContact O-N 3.18Å; R365-G369 PolarHBondContact O-N 3.29Å; R365-V370 PolarHBondContact O-N 3.35Å; R365-V370 VanDerWaalsContact O-N 3.14Å |
| 366 | T | 79.2 | Confident | 79 | Confident | 85 Ų | 85 | 62.9 Ų | 62.9 | 52% | 0.521 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 178.2 | 54.3 | 0 | 0 | 0 | 0 | 112.1 | I362 Y363 K368 G369 | I362-T366 WeakPolarHBondContact O-CG2 3.18Å; I362-T366 PolarHBondContact O-N 3.31Å; I362-T366 PolarHBondContact O-OG1 3.01Å; Y363-T366 WeakPolarHBondContact CA-OG1 3.47Å; Y363-T366 PolarHBondContact O-N 3.29Å; Y363-T366 PolarHBondContact O-OG1 2.94Å; T366-K368 PolarHBondContact O-N 3.04Å; T366-G369 PolarHBondContact O-N 2.99Å |
| 367 | V | 71.9 | Confident | 78.7 | Confident | 71 Ų | 71 | 61.6 Ų | 61.6 | 43% | 0.43 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67 | -35.1 | 177.1 | 171.9 | 0 | 0 | 0 | 0 | 112.4 | Y363 | Y363-V367 HydrophobicContact CD1-CG2 4.22Å; Y363-V367 HydrophobicContact CD2-CG2 4.43Å; Y363-V367 HydrophobicContact CE1-CG2 3.79Å; Y363-V367 HydrophobicContact CE2-CG2 4.03Å; Y363-V367 WeakPolarHBondContact O-CB 3.38Å; Y363-V367 VanDerWaalsContact O-CG2 3.26Å; Y363-V367 WeakPolarHBondContact O-CG2 3.4Å; Y363-V367 PolarHBondContact O-N 3.02Å |
| 368 | K | 76.3 | Confident | 78.5 | Confident | 128 Ų | 128 | 63 Ų | 63 | 56% | 0.557 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -87.6 | -9.7 | 178.6 | -69.6 | -170.8 | 173.4 | -164.3 | 0 | 114.1 | K364 R365 T366 V370 | K364-K368 HydrophobicContact CG-CD 4.44Å; K364-K368 WeakPolarHBondContact O-CB 3.46Å; K364-K368 WeakPolarHBondContact O-CG 3.44Å; K364-K368 PolarHBondContact O-N 3.48Å; K364-K368 VanDerWaalsContact O-N 3.11Å; R365-K368 PolarHBondContact O-N 3.18Å; T366-K368 PolarHBondContact O-N 3.04Å; K368-V370 HydrophobicContact CB-CG2 3.76Å; K368-V370 PolarHBondContact O-N 2.94Å |
| 369 | G | 75.8 | Confident | 78.4 | Confident | 72 Ų | 72 | 62.7 Ų | 62.7 | 74% | 0.742 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 24.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R365 T366 | R365-G369 PolarHBondContact O-N 3.29Å; T366-G369 PolarHBondContact O-N 2.99Å |
| 370 | V | 74.5 | Confident | 78.1 | Confident | 84 Ų | 84 | 65.2 Ų | 65.2 | 51% | 0.509 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -99 | 135.3 | -175.4 | -176.5 | 0 | 0 | 0 | 0 | 110.2 | R365 K368 | R365-V370 PolarHBondContact O-N 3.35Å; R365-V370 VanDerWaalsContact O-N 3.14Å; K368-V370 HydrophobicContact CB-CG2 3.76Å; K368-V370 PolarHBondContact O-N 2.94Å |
| 371 | A | 76.9 | Confident | 77.9 | Confident | 82 Ų | 82 | 70.2 Ų | 70.2 | 68% | 0.678 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 157.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P373 | A371-P373 WeakPolarHBondContact O-CD 3.41Š|
| 372 | A | 73.6 | Confident | 77.8 | Confident | 80 Ų | 80 | 70.4 Ų | 70.4 | 66% | 0.661 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 125 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 373 | P | 73.3 | Confident | 77.8 | Confident | 19 Ų | 19 | 68.6 Ų | 68.6 | 12% | 0.123 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 156.6 | -179.3 | 29.6 | -35.9 | 0 | 0 | 0 | 112 | A371 E375 E380 | A371-P373 WeakPolarHBondContact O-CD 3.41Å; P373-E375 PolarHBondContact O-N 3Å; P373-E380 HydrophobicContact CB-CG 3.86Å; P373-E380 WeakPolarHBondContact CB-OE1 3.36Å; P373-E380 WeakPolarHBondContact CG-OE1 3.44Å |
| 374 | P | 73.4 | Confident | 78 | Confident | 81 Ų | 81 | 67.8 Ų | 67.8 | 53% | 0.526 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -51.6 | 141.3 | -178.3 | 18.5 | -30.4 | 0 | 0 | 0 | 111.9 | R230 G376 V377 | R230-P374 PolarHBondContact NH2-O 2.9Å; P374-G376 PolarHBondContact O-N 2.81Å; P374-V377 HydrophobicContact CB-CG2 4.29Å; P374-V377 HydrophobicContact CG-CB 4.32Å; P374-V377 HydrophobicContact CG-CG2 4.11Å; P374-V377 PolarHBondContact O-N 3.33Å |
| 375 | E | 72.5 | Confident | 78 | Confident | 108 Ų | 108 | 73 Ų | 73 | 51% | 0.505 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 131.8 | -175.1 | -60.9 | -167.5 | 136.4 | 0 | 0 | 111.1 | R270 P373 V377 Y519 | R270-E375 IonicContact CZ-OE1 3.86Å; R270-E375 IonicContact CZ-OE2 3.95Å; R270-E375 IonicContact NE-OE1 3.37Å; R270-E375 IonicContact NE-OE2 3.4Å; R270-E375 IonicContact NH1-OE2 3.39Å; R270-E375 IonicContact NH2-OE1 3.88Å; R270-E375 PolarHBondContact NH2-OE1 2.87Å; R270-E375 IonicContact NH2-OE2 2.64Å; R270-E375 PolarHBondContact NH2-OE2 2.8Å; P373-E375 PolarHBondContact O-N 3Å; E375-V377 PolarHBondContact O-N 3.47Å; E375-Y519 PolarHBondContact OE2-OH 3.02Å |
| 376 | G | 73.7 | Confident | 78.1 | Confident | 36 Ų | 36 | 73.2 Ų | 73.2 | 37% | 0.371 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 0.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | P374 | P374-G376 PolarHBondContact O-N 2.81Š|
| 377 | V | 81.8 | Confident | 78.3 | Confident | 11 Ų | 11 | 69.3 Ų | 69.3 | 7% | 0.067 | 40% | 0.398 | C | S | . | . | trans | -97.4 | 130.8 | 178.7 | -175.9 | 0 | 0 | 0 | 0 | 111 | R230 P374 E375 F379 N400 | R230-V377 PolarHBondContact NE-O 3.25Å; R230-V377 PolarHBondContact NH2-O 2.94Å; P374-V377 HydrophobicContact CB-CG2 4.29Å; P374-V377 HydrophobicContact CG-CB 4.32Å; P374-V377 HydrophobicContact CG-CG2 4.11Å; P374-V377 PolarHBondContact O-N 3.33Å; E375-V377 PolarHBondContact O-N 3.47Å; V377-F379 WeakPolarHBondContact CG1-O 3.24Å; V377-N400 HydrophobicContact CG1-CB 4.36Å | ||
| 378 | L | 82.8 | Confident | 78.7 | Confident | 29 Ų | 29 | 66.7 Ų | 66.7 | 15% | 0.152 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -90.7 | -46.9 | 176.8 | -179.7 | 62.6 | 0 | 0 | 0 | 111.9 | A227 R230 F231 I399 N400 | A227-L378 HydrophobicContact CB-CD1 4.4Å; A227-L378 VanDerWaalsContact O-CD1 3.32Å; A227-L378 WeakPolarHBondContact O-CD1 3.38Å; R230-L378 HydrophobicContact CB-CD1 3.66Å; R230-L378 HydrophobicContact CG-CD1 3.56Å; F231-L378 HydrophobicContact CB-CD1 4.32Å; L378-I399 HydrophobicContact CB-CG2 4.48Å; L378-I399 HydrophobicContact CD2-CG2 3.71Å; L378-N400 WeakPolarHBondContact CA-OD1 3.31Å; L378-N400 WeakPolarHBondContact CB-OD1 3.49Å; L378-N400 PolarHBondContact N-OD1 3.08Å |
| 379 | F | 83.9 | Confident | 79 | Confident | 56 Ų | 56 | 69 Ų | 69 | 25% | 0.246 | 39% | 0.387 | C | S | . | . | trans | -111.4 | 100.9 | 179.5 | -56.5 | -72.7 | 0 | 0 | 0 | 110.3 | V377 E381 I382 M396 I399 N400 | V377-F379 WeakPolarHBondContact CG1-O 3.24Å; F379-E381 VanDerWaalsContact C-N 3.3Å; F379-E381 PolarHBondContact O-N 3.12Å; F379-I382 HydrophobicContact CB-CD1 4.41Å; F379-M396 HydrophobicContact CD2-CB 3.74Å; F379-M396 HydrophobicContact CD2-CG 3.85Å; F379-M396 HydrophobicContact CE1-CE 4.37Å; F379-M396 HydrophobicContact CE2-CB 4.2Å; F379-M396 HydrophobicContact CE2-CG 3.91Å; F379-M396 HydrophobicContact CG-CB 4.24Å; F379-M396 HydrophobicContact CG-CG 4.25Å; F379-M396 HydrophobicContact CG-SD 4.46Å; F379-M396 HydrophobicContact CZ-CG 4.37Å; F379-I399 HydrophobicContact CE2-CB 4.47Å; F379-I399 HydrophobicContact CE2-CD1 4.18Å; F379-I399 HydrophobicContact CE2-CG2 4.22Å; F379-N400 PolarHBondContact N-OD1 3.29Å; F379-N400 PolarHBondContact O-ND2 2.89Å | ||
| 380 | E | 76.9 | Confident | 79.4 | Confident | 112 Ų | 112 | 67.2 Ų | 67.2 | 52% | 0.523 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -28.7 | -172.5 | -68.3 | 164.2 | -142.1 | 0 | 0 | 113.8 | P373 I382 | P373-E380 HydrophobicContact CB-CG 3.86Å; P373-E380 WeakPolarHBondContact CB-OE1 3.36Å; P373-E380 WeakPolarHBondContact CG-OE1 3.44Å; E380-I382 PolarHBondContact O-N 3.49Å |
| 381 | E | 78.8 | Confident | 79.8 | Confident | 171 Ų | 171 | 67.2 Ų | 67.2 | 80% | 0.799 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -18.9 | -175.2 | -67.6 | 174.2 | -171.4 | 0 | 0 | 113.2 | F379 | F379-E381 VanDerWaalsContact C-N 3.3Å; F379-E381 PolarHBondContact O-N 3.12Å |
| 382 | I | 83.9 | Confident | 80.2 | Confident | 12 Ų | 12 | 69.7 Ų | 69.7 | 6% | 0.062 | 36% | 0.358 | C | S | . | . | trans | -103.6 | 109.7 | -163.9 | -65.9 | 174.7 | 0 | 0 | 0 | 111.9 | F379 E380 E386 M396 | F379-I382 HydrophobicContact CB-CD1 4.41Å; E380-I382 PolarHBondContact O-N 3.49Å; I382-E386 WeakPolarHBondContact CA-OE2 3.3Å; I382-M396 HydrophobicContact CD1-CB 3.21Å; I382-M396 HydrophobicContact CD1-CG 3.81Å; I382-M396 HydrophobicContact CD1-SD 3.23Å; I382-M396 WeakPolarHBondContact CD1-SD 3.5Å | ||
| 383 | T | 83.1 | Confident | 80.9 | Confident | 44 Ų | 44 | 67.8 Ų | 67.8 | 27% | 0.27 | 34% | 0.336 | S | S | . | . | trans | -97.1 | 167.5 | 176.6 | 70.1 | 0 | 0 | 0 | 0 | 112 | K385 E386 A387 V533 | T383-K385 PolarHBondContact O-N 3.48Å; T383-E386 PolarHBondContact N-OE2 3.39Å; T383-E386 PolarHBondContact O-N 3.38Å; T383-E386 PolarHBondContact OG1-OE1 3.21Å; T383-E386 PolarHBondContact OG1-OE2 3.3Å; T383-E386 VanDerWaalsContact OG1-OE2 3.13Å; T383-A387 PolarHBondContact O-N 3.3Å; T383-V533 HydrophobicContact CG2-CG1 4.18Å | ||
| 384 | R | 83.6 | Confident | 81.6 | Confident | 50 Ų | 50 | 68.2 Ų | 68.2 | 19% | 0.189 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -33.3 | 174.3 | 174.1 | 60.3 | -172.1 | 91.8 | -0.7 | 113.2 | E386 D388 Y397 V533 Y722 | R384-E386 VanDerWaalsContact C-N 3.35Å; R384-D388 IonicContact CZ-OD2 3.2Å; R384-D388 IonicContact NH1-OD1 2.72Å; R384-D388 IonicContact NH1-OD2 2.97Å; R384-D388 PolarHBondContact NH1-OD2 2.93Å; R384-D388 IonicContact NH2-OD2 2.89Å; R384-Y397 HydrophobicContact CB-CE2 4.02Å; R384-Y397 WeakPolarHBondContact CD-OH 3.49Å; R384-V533 PolarHBondContact N-O 3Å; R384-Y722 PolarHBondContact NH1-OH 2.92Å; R384-Y722 PolarHBondContact NH2-OH 2.89Å |
| 385 | K | 80.3 | Confident | 82.3 | Confident | 157 Ų | 157 | 69.3 Ų | 69.3 | 68% | 0.683 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -31.1 | -179.1 | -66.4 | -176.1 | -179.2 | 178.5 | 0 | 112 | T383 | T383-K385 PolarHBondContact O-N 3.48Š|
| 386 | E | 84.2 | Confident | 83.1 | Confident | 50 Ų | 50 | 66.1 Ų | 66.1 | 23% | 0.234 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -20.6 | 179.3 | -69.1 | 139.5 | -163.7 | 0 | 0 | 113.6 | I382 T383 R384 D388 R389 | I382-E386 WeakPolarHBondContact CA-OE2 3.3Å; T383-E386 PolarHBondContact N-OE2 3.39Å; T383-E386 PolarHBondContact O-N 3.38Å; T383-E386 PolarHBondContact OG1-OE1 3.21Å; T383-E386 PolarHBondContact OG1-OE2 3.3Å; T383-E386 VanDerWaalsContact OG1-OE2 3.13Å; R384-E386 VanDerWaalsContact C-N 3.35Å; E386-D388 PolarHBondContact O-N 3.17Å; E386-R389 WeakPolarHBondContact O-CB 3.41Å; E386-R389 PolarHBondContact O-N 3.19Å |
| 387 | A | 82.9 | Confident | 83.9 | Confident | 3 Ų | 3 | 65 Ų | 65 | 3% | 0.025 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -24.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | T383 C394 Y397 L570 | T383-A387 PolarHBondContact O-N 3.3Å; A387-C394 WeakPolarHBondContact O-CA 3.45Å; A387-C394 WeakPolarHBondContact O-CB 3.21Å; A387-Y397 HydrophobicContact CB-CD1 3.87Å; A387-Y397 HydrophobicContact CB-CD2 3.97Å; A387-Y397 HydrophobicContact CB-CG 3.54Å; A387-L570 WeakPolarHBondContact O-CD2 3.3Å |
| 388 | D | 80.4 | Confident | 84.2 | Confident | 16 Ų | 16 | 68 Ų | 68 | 9% | 0.086 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -0.4 | -179.2 | -74.2 | -43.9 | 0 | 0 | 0 | 114.6 | R384 E386 K574 Y722 | R384-D388 IonicContact CZ-OD2 3.2Å; R384-D388 IonicContact NH1-OD1 2.72Å; R384-D388 IonicContact NH1-OD2 2.97Å; R384-D388 PolarHBondContact NH1-OD2 2.93Å; R384-D388 IonicContact NH2-OD2 2.89Å; E386-D388 PolarHBondContact O-N 3.17Å; D388-K574 PolarHBondContact O-NZ 3.4Å; D388-K574 WeakPolarHBondContact OD1-CE 3.23Å; D388-K574 IonicContact OD1-NZ 2.79Å; D388-K574 PolarHBondContact OD1-NZ 2.99Å; D388-Y722 VanDerWaalsContact CG-OH 3.29Å; D388-Y722 PolarHBondContact OD1-OH 2.75Å; D388-Y722 PolarHBondContact OD2-OH 3.42Å; D388-Y722 VanDerWaalsContact OD2-OH 3.13Å |
| 389 | R | 82.5 | Confident | 84.4 | Confident | 177 Ų | 177 | 70.9 Ų | 70.9 | 67% | 0.668 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -52.8 | -177.6 | -68 | -179 | 176.3 | 178.7 | 0.2 | 113.9 | E386 S568 | E386-R389 WeakPolarHBondContact O-CB 3.41Å; E386-R389 PolarHBondContact O-N 3.19Å; R389-S568 PolarHBondContact O-OG 3.39Å |
| 390 | S | 83.9 | Confident | 84.7 | Confident | 34 Ų | 34 | 68.9 Ų | 68.9 | 24% | 0.238 | 33% | 0.333 | C | S | . | . | trans | -141.8 | 159 | -175.1 | 79.9 | 0 | 0 | 0 | 0 | 112.3 | K392 D393 C394 | S390-K392 PolarHBondContact O-N 3.19Å; S390-D393 WeakPolarHBondContact CB-OD2 3.45Å; S390-D393 PolarHBondContact O-N 3.46Å; S390-D393 PolarHBondContact OG-N 3.32Å; S390-D393 VanDerWaalsContact OG-N 3.16Å; S390-D393 PolarHBondContact OG-OD2 3.37Å; S390-C394 WeakPolarHBondContact O-CB 3.27Å; S390-C394 PolarHBondContact O-N 2.83Å | ||
| 391 | V | 83.7 | Confident | 85.2 | Confident | 83 Ų | 83 | 63.9 Ų | 63.9 | 50% | 0.503 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.4 | -36.5 | 176.3 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | L395 L570 | V391-L395 WeakPolarHBondContact O-CB 3.39Å; V391-L395 PolarHBondContact O-N 2.83Å; V391-L570 HydrophobicContact CG2-CB 3.81Å; V391-L570 HydrophobicContact CG2-CD1 4.47Å |
| 392 | K | 85.6 | Confident | 85.7 | Confident | 135 Ų | 135 | 56.2 Ų | 56.2 | 59% | 0.587 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -63 | -48.5 | 177.2 | -179.3 | -173.1 | 170.8 | -166 | 0 | 111.2 | S390 L395 M396 | S390-K392 PolarHBondContact O-N 3.19Å; K392-L395 PolarHBondContact O-N 3.42Å; K392-M396 HydrophobicContact CD-CE 4.29Å; K392-M396 HydrophobicContact CG-CE 3.95Å; K392-M396 HydrophobicContact CG-SD 4.21Å; K392-M396 WeakPolarHBondContact O-CG 3.47Å; K392-M396 PolarHBondContact O-N 3.48Å |
| 393 | D | 87.8 | Confident | 86 | Confident | 39 Ų | 39 | 58.9 Ų | 58.9 | 21% | 0.209 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.1 | -38.6 | -178.5 | -53.6 | -34.4 | 0 | 0 | 0 | 111 | S390 M396 Y397 | S390-D393 WeakPolarHBondContact CB-OD2 3.45Å; S390-D393 PolarHBondContact O-N 3.46Å; S390-D393 PolarHBondContact OG-N 3.32Å; S390-D393 VanDerWaalsContact OG-N 3.16Å; S390-D393 PolarHBondContact OG-OD2 3.37Å; D393-M396 PolarHBondContact O-N 3.09Å; D393-Y397 WeakPolarHBondContact O-CB 3.38Å; D393-Y397 PolarHBondContact O-N 3.47Å |
| 394 | C | 88.3 | Confident | 86.3 | Confident | 29 Ų | 29 | 57.7 Ų | 57.7 | 20% | 0.196 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 172 | -178.1 | 0 | 0 | 0 | 0 | 111.9 | A387 S390 M396 Y397 L398 L570 | A387-C394 WeakPolarHBondContact O-CA 3.45Å; A387-C394 WeakPolarHBondContact O-CB 3.21Å; S390-C394 WeakPolarHBondContact O-CB 3.27Å; S390-C394 PolarHBondContact O-N 2.83Å; C394-M396 PolarHBondContact O-N 3.33Å; C394-Y397 WeakPolarHBondContact O-CB 3.38Å; C394-Y397 PolarHBondContact O-N 3.48Å; C394-L398 WeakPolarHBondContact O-CG 3.33Å; C394-L398 PolarHBondContact O-N 3.34Å; C394-L570 HydrophobicContact CB-CD1 3.76Å; C394-L570 HydrophobicContact CB-CD2 3.95Å |
| 395 | L | 87.8 | Confident | 86.5 | Confident | 104 Ų | 104 | 56.3 Ų | 56.3 | 55% | 0.545 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 178.8 | -175.5 | 70.4 | 0 | 0 | 0 | 111.2 | V391 K392 Y397 L398 I399 | V391-L395 WeakPolarHBondContact O-CB 3.39Å; V391-L395 PolarHBondContact O-N 2.83Å; K392-L395 PolarHBondContact O-N 3.42Å; L395-Y397 VanDerWaalsContact C-N 3.33Å; L395-Y397 PolarHBondContact O-N 3.41Å; L395-L398 PolarHBondContact O-N 2.98Å; L395-I399 HydrophobicContact CG-CD1 4.15Å; L395-I399 VanDerWaalsContact O-CG1 3.28Å; L395-I399 WeakPolarHBondContact O-CG1 3.34Å; L395-I399 PolarHBondContact O-N 2.86Å |
| 396 | M | 89.3 | Confident | 87 | Confident | 41 Ų | 41 | 52 Ų | 52 | 20% | 0.202 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 176.9 | -69.1 | 175.8 | 169.9 | 0 | 0 | 111.9 | F379 I382 K392 D393 C394 I399 N400 | F379-M396 HydrophobicContact CD2-CB 3.74Å; F379-M396 HydrophobicContact CD2-CG 3.85Å; F379-M396 HydrophobicContact CE1-CE 4.37Å; F379-M396 HydrophobicContact CE2-CB 4.2Å; F379-M396 HydrophobicContact CE2-CG 3.91Å; F379-M396 HydrophobicContact CG-CB 4.24Å; F379-M396 HydrophobicContact CG-CG 4.25Å; F379-M396 HydrophobicContact CG-SD 4.46Å; F379-M396 HydrophobicContact CZ-CG 4.37Å; I382-M396 HydrophobicContact CD1-CB 3.21Å; I382-M396 HydrophobicContact CD1-CG 3.81Å; I382-M396 HydrophobicContact CD1-SD 3.23Å; I382-M396 WeakPolarHBondContact CD1-SD 3.5Å; K392-M396 HydrophobicContact CD-CE 4.29Å; K392-M396 HydrophobicContact CG-CE 3.95Å; K392-M396 HydrophobicContact CG-SD 4.21Å; K392-M396 WeakPolarHBondContact O-CG 3.47Å; K392-M396 PolarHBondContact O-N 3.48Å; D393-M396 PolarHBondContact O-N 3.09Å; C394-M396 PolarHBondContact O-N 3.33Å; M396-I399 PolarHBondContact O-N 3.41Å; M396-N400 PolarHBondContact O-N 3.16Å |
| 397 | Y | 90 | Very high | 87.4 | Confident | 13 Ų | 13 | 49.7 Ų | 49.7 | 5% | 0.051 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.2 | -44.8 | 171.2 | 172.7 | -97.2 | 0 | 0 | 0 | 111.9 | R384 A387 D393 C394 L395 I399 N400 H401 K405 G534 | R384-Y397 HydrophobicContact CB-CE2 4.02Å; R384-Y397 WeakPolarHBondContact CD-OH 3.49Å; A387-Y397 HydrophobicContact CB-CD1 3.87Å; A387-Y397 HydrophobicContact CB-CD2 3.97Å; A387-Y397 HydrophobicContact CB-CG 3.54Å; D393-Y397 WeakPolarHBondContact O-CB 3.38Å; D393-Y397 PolarHBondContact O-N 3.47Å; C394-Y397 WeakPolarHBondContact O-CB 3.38Å; C394-Y397 PolarHBondContact O-N 3.48Å; L395-Y397 VanDerWaalsContact C-N 3.33Å; L395-Y397 PolarHBondContact O-N 3.41Å; Y397-I399 VanDerWaalsContact C-N 3.32Å; Y397-I399 PolarHBondContact O-N 2.89Å; Y397-N400 PolarHBondContact O-N 3.34Å; Y397-H401 AromaticContact CD2-CD2 3.94Å; Y397-H401 HydrophobicContact CE2-CB 4.03Å; Y397-H401 AromaticContact CE2-CD2 3.73Å; Y397-H401 PolarHBondContact O-N 3.43Å; Y397-K405 WeakPolarHBondContact OH-CE 3.37Å; Y397-G534 PolarHBondContact OH-O 2.72Å |
| 398 | L | 89 | Confident | 87.8 | Confident | 73 Ų | 73 | 50 Ų | 50 | 38% | 0.382 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.2 | -33.7 | 176.4 | -72.3 | 173.5 | 0 | 0 | 0 | 112.3 | C394 L395 G402 F406 | C394-L398 WeakPolarHBondContact O-CG 3.33Å; C394-L398 PolarHBondContact O-N 3.34Å; L395-L398 PolarHBondContact O-N 2.98Å; L398-G402 WeakPolarHBondContact O-CA 3.27Å; L398-G402 PolarHBondContact O-N 3.07Å; L398-F406 HydrophobicContact CD2-CE2 4.02Å |
| 399 | I | 87.4 | Confident | 88.4 | Confident | 89 Ų | 89 | 50.1 Ų | 50.1 | 46% | 0.456 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.8 | -41 | 173.9 | -68.9 | 164.2 | 0 | 0 | 0 | 110.9 | L378 F379 L395 M396 Y397 | L378-I399 HydrophobicContact CB-CG2 4.48Å; L378-I399 HydrophobicContact CD2-CG2 3.71Å; F379-I399 HydrophobicContact CE2-CB 4.47Å; F379-I399 HydrophobicContact CE2-CD1 4.18Å; F379-I399 HydrophobicContact CE2-CG2 4.22Å; L395-I399 HydrophobicContact CG-CD1 4.15Å; L395-I399 VanDerWaalsContact O-CG1 3.28Å; L395-I399 WeakPolarHBondContact O-CG1 3.34Å; L395-I399 PolarHBondContact O-N 2.86Å; M396-I399 PolarHBondContact O-N 3.41Å; Y397-I399 VanDerWaalsContact C-N 3.32Å; Y397-I399 PolarHBondContact O-N 2.89Å |
| 400 | N | 88.4 | Confident | 88.9 | Confident | 15 Ų | 15 | 44.3 Ų | 44.3 | 8% | 0.08 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.4 | -45.5 | 178 | -73.6 | -20.4 | 0 | 0 | 0 | 113.3 | V377 L378 F379 M396 Y397 | V377-N400 HydrophobicContact CG1-CB 4.36Å; L378-N400 WeakPolarHBondContact CA-OD1 3.31Å; L378-N400 WeakPolarHBondContact CB-OD1 3.49Å; L378-N400 PolarHBondContact N-OD1 3.08Å; F379-N400 PolarHBondContact N-OD1 3.29Å; F379-N400 PolarHBondContact O-ND2 2.89Å; M396-N400 PolarHBondContact O-N 3.16Å; Y397-N400 PolarHBondContact O-N 3.34Å |
| 401 | H | 88.6 | Confident | 89.4 | Confident | 6 Ų | 6 | 42.7 Ų | 42.7 | 3% | 0.028 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -127 | 10.7 | -164.6 | -64.3 | -53.9 | 0 | 0 | 0 | 114.1 | Y397 Y404 K405 | Y397-H401 AromaticContact CD2-CD2 3.94Å; Y397-H401 HydrophobicContact CE2-CB 4.03Å; Y397-H401 AromaticContact CE2-CD2 3.73Å; Y397-H401 PolarHBondContact O-N 3.43Å; H401-Y404 HydrophobicContact CB-CD1 4.46Å; H401-Y404 WeakPolarHBondContact O-CB 3.23Å; H401-Y404 PolarHBondContact O-N 2.77Å; H401-Y404 VanDerWaalsContact O-N 3.16Å; H401-K405 PolarHBondContact O-N 3.17Å |
| 402 | G | 88.4 | Confident | 89.9 | Confident | 11 Ų | 11 | 39.3 Ų | 39.3 | 11% | 0.113 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.2 | -49.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L398 Y404 K405 F406 | L398-G402 WeakPolarHBondContact O-CA 3.27Å; L398-G402 PolarHBondContact O-N 3.07Å; G402-Y404 VanDerWaalsContact C-N 3.27Å; G402-Y404 PolarHBondContact O-N 3.46Å; G402-K405 PolarHBondContact O-N 3.35Å; G402-K405 VanDerWaalsContact O-N 3.12Å; G402-F406 WeakPolarHBondContact O-CD2 3.44Å; G402-F406 PolarHBondContact O-N 2.83Å |
| 403 | F | 90.7 | Very high | 90.3 | Very high | 67 Ų | 67 | 34.2 Ų | 34.2 | 29% | 0.294 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -67.6 | -28.8 | 175.4 | -164.5 | -90 | 0 | 0 | 0 | 112.4 | K405 G407 I410 V411 A513 C516 Q517 V520 | F403-K405 VanDerWaalsContact C-N 3.32Å; F403-K405 PolarHBondContact O-N 3.38Å; F403-G407 WeakPolarHBondContact O-CA 3.3Å; F403-G407 PolarHBondContact O-N 3.31Å; F403-I410 HydrophobicContact CD2-CD1 3.94Å; F403-I410 HydrophobicContact CE2-CB 4.34Å; F403-I410 HydrophobicContact CE2-CD1 4.37Å; F403-I410 HydrophobicContact CE2-CG2 4.06Å; F403-V411 HydrophobicContact CZ-CG2 4.49Å; F403-A513 WeakPolarHBondContact CZ-O 3.32Å; F403-C516 HydrophobicContact CD1-CB 4.13Å; F403-C516 HydrophobicContact CE1-CB 3.39Å; F403-C516 HydrophobicContact CZ-CB 3.73Å; F403-Q517 HydrophobicContact CE1-CB 4.29Å; F403-Q517 HydrophobicContact CZ-CB 4.44Å; F403-V520 HydrophobicContact CD1-CG2 4.17Å; F403-V520 HydrophobicContact CE1-CG2 4.45Å |
| 404 | Y | 89.9 | Confident | 90.5 | Very high | 19 Ų | 19 | 34.6 Ų | 34.6 | 8% | 0.075 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.5 | -35 | 172.1 | 171.9 | -94.3 | 0 | 0 | 0 | 111.8 | H401 G402 V520 I523 E524 Y532 G535 N537 | H401-Y404 HydrophobicContact CB-CD1 4.46Å; H401-Y404 WeakPolarHBondContact O-CB 3.23Å; H401-Y404 PolarHBondContact O-N 2.77Å; H401-Y404 VanDerWaalsContact O-N 3.16Å; G402-Y404 VanDerWaalsContact C-N 3.27Å; G402-Y404 PolarHBondContact O-N 3.46Å; Y404-V520 HydrophobicContact CD2-CG1 3.76Å; Y404-V520 HydrophobicContact CD2-CG2 4.49Å; Y404-V520 HydrophobicContact CE2-CG1 4.23Å; Y404-V520 HydrophobicContact CG-CG1 4.48Å; Y404-I523 HydrophobicContact CE2-CG2 3.99Å; Y404-E524 HydrophobicContact CE2-CG 4.25Å; Y404-Y532 HydrophobicContact CD1-CE1 4.42Å; Y404-Y532 HydrophobicContact CD2-CE1 4.08Å; Y404-Y532 AromaticContact CE1-CD1 3.97Å; Y404-Y532 HydrophobicContact CE1-CD1 3.97Å; Y404-Y532 HydrophobicContact CE1-CE1 4Å; Y404-Y532 AromaticContact CE2-CD1 3.97Å; Y404-Y532 HydrophobicContact CE2-CD1 3.97Å; Y404-Y532 AromaticContact CE2-CE1 3.65Å; Y404-Y532 HydrophobicContact CE2-CE1 3.65Å; Y404-Y532 HydrophobicContact CG-CE1 4.46Å; Y404-Y532 AromaticContact CZ-CD1 3.51Å; Y404-Y532 AromaticContact CZ-CE1 3.61Å; Y404-Y532 WeakPolarHBondContact OH-CD1 3.46Å; Y404-G535 VanDerWaalsContact CE1-O 3.3Å; Y404-G535 WeakPolarHBondContact CE1-O 3.38Å; Y404-G535 PolarHBondContact OH-O 2.89Å; Y404-N537 WeakPolarHBondContact CE1-ND2 3.5Å; Y404-N537 PolarHBondContact O-ND2 3.35Å |
| 405 | K | 88.2 | Confident | 90.8 | Very high | 22 Ų | 22 | 33.2 Ų | 33.2 | 10% | 0.096 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -83.3 | -37 | 177.6 | -72.6 | -52.3 | -170.9 | -166.9 | 0 | 114.6 | Y397 H401 G402 F403 G534 G535 D536 N537 R716 | Y397-K405 WeakPolarHBondContact OH-CE 3.37Å; H401-K405 PolarHBondContact O-N 3.17Å; G402-K405 PolarHBondContact O-N 3.35Å; G402-K405 VanDerWaalsContact O-N 3.12Å; F403-K405 VanDerWaalsContact C-N 3.32Å; F403-K405 PolarHBondContact O-N 3.38Å; K405-G534 WeakPolarHBondContact CE-O 3.42Å; K405-G534 PolarHBondContact NZ-O 3.03Å; K405-G535 PolarHBondContact NZ-O 3.45Å; K405-D536 PolarHBondContact NZ-O 2.78Å; K405-N537 WeakPolarHBondContact CD-OD1 3.47Å; K405-N537 PolarHBondContact NZ-OD1 3.32Å; K405-R716 PolarHBondContact O-NH2 2.83Å |
| 406 | F | 90.7 | Very high | 91.1 | Very high | 67 Ų | 67 | 28.3 Ų | 28.3 | 29% | 0.294 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -118.5 | 12.8 | -170 | -57.6 | -70.2 | 0 | 0 | 0 | 114.2 | L398 G402 V408 E409 I410 F713 R716 | L398-F406 HydrophobicContact CD2-CE2 4.02Å; G402-F406 WeakPolarHBondContact O-CD2 3.44Å; G402-F406 PolarHBondContact O-N 2.83Å; F406-V408 PolarHBondContact O-N 3.48Å; F406-E409 VanDerWaalsContact CA-OE2 3.32Å; F406-E409 WeakPolarHBondContact CA-OE2 3.31Å; F406-E409 PolarHBondContact O-N 2.75Å; F406-I410 HydrophobicContact CB-CD1 4.05Å; F406-I410 HydrophobicContact CB-CG1 4.38Å; F406-I410 VanDerWaalsContact O-CG1 3.25Å; F406-I410 WeakPolarHBondContact O-CG1 3.32Å; F406-I410 PolarHBondContact O-N 3.16Å; F406-F713 HydrophobicContact CD1-CE1 4.2Å; F406-R716 HydrophobicContact CD1-CG 4.24Å; F406-R716 HydrophobicContact CE1-CG 4.13Å |
| 407 | G | 91.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.4 | -38.6 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | F403 I410 V411 Q517 | F403-G407 WeakPolarHBondContact O-CA 3.3Å; F403-G407 PolarHBondContact O-N 3.31Å; G407-I410 PolarHBondContact O-N 2.91Å; G407-V411 VanDerWaalsContact O-CG2 3.25Å; G407-V411 WeakPolarHBondContact O-CG2 3.41Å; G407-V411 PolarHBondContact O-N 2.95Å; G407-Q517 VanDerWaalsContact C-OE1 3.29Å; G407-Q517 VanDerWaalsContact CA-OE1 3.23Å |
| 408 | V | 92 | Very high | 91.3 | Very high | 9 Ų | 9 | 29.8 Ų | 29.8 | 6% | 0.055 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.2 | -45 | 176.6 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | F406 V411 F412 L445 Q517 F521 | F406-V408 PolarHBondContact O-N 3.48Å; V408-V411 PolarHBondContact O-N 3.4Å; V408-F412 HydrophobicContact CG1-CD2 3.93Å; V408-F412 HydrophobicContact CG1-CE1 4.44Å; V408-F412 HydrophobicContact CG1-CE2 3.43Å; V408-F412 VanDerWaalsContact CG1-CE2 3.43Å; V408-F412 HydrophobicContact CG1-CZ 3.73Å; V408-F412 WeakPolarHBondContact O-CG 3.41Å; V408-F412 PolarHBondContact O-N 3.39Å; V408-L445 HydrophobicContact CG1-CD2 3.72Å; V408-L445 HydrophobicContact CG2-CD2 4.43Å; V408-Q517 HydrophobicContact CG2-CG 4.03Å; V408-F521 HydrophobicContact CG2-CE1 4.07Å; V408-F521 HydrophobicContact CG2-CE2 4.34Å; V408-F521 HydrophobicContact CG2-CZ 3.52Å |
| 409 | E | 92.4 | Very high | 91.4 | Very high | 19 Ų | 19 | 26.3 Ų | 26.3 | 9% | 0.089 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.5 | -44.5 | 179.4 | -62.7 | 80.1 | 180 | 0 | 0 | 110.9 | F406 V411 F412 I413 I712 R716 | F406-E409 VanDerWaalsContact CA-OE2 3.32Å; F406-E409 WeakPolarHBondContact CA-OE2 3.31Å; F406-E409 PolarHBondContact O-N 2.75Å; E409-V411 PolarHBondContact O-N 2.86Å; E409-F412 PolarHBondContact O-N 3.49Å; E409-I413 WeakPolarHBondContact O-CD1 3.31Å; E409-I413 VanDerWaalsContact O-CG1 3.26Å; E409-I413 WeakPolarHBondContact O-CG1 3.49Å; E409-I413 PolarHBondContact O-N 3.04Å; E409-I712 HydrophobicContact CB-CG2 3.65Å; E409-I712 HydrophobicContact CG-CG2 3.47Å; E409-I712 VanDerWaalsContact CG-CG2 3.47Å; E409-R716 WeakPolarHBondContact OE1-CD 3.4Å; E409-R716 IonicContact OE1-NE 3.44Å |
| 410 | I | 92.9 | Very high | 91.5 | Very high | 55 Ų | 55 | 23.5 Ų | 23.5 | 28% | 0.282 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -62.2 | -42.9 | 176 | -68.7 | 165.3 | 0 | 0 | 0 | 111.2 | F403 F406 G407 I413 I414 | F403-I410 HydrophobicContact CD2-CD1 3.94Å; F403-I410 HydrophobicContact CE2-CB 4.34Å; F403-I410 HydrophobicContact CE2-CD1 4.37Å; F403-I410 HydrophobicContact CE2-CG2 4.06Å; F406-I410 HydrophobicContact CB-CD1 4.05Å; F406-I410 HydrophobicContact CB-CG1 4.38Å; F406-I410 VanDerWaalsContact O-CG1 3.25Å; F406-I410 WeakPolarHBondContact O-CG1 3.32Å; F406-I410 PolarHBondContact O-N 3.16Å; G407-I410 PolarHBondContact O-N 2.91Å; I410-I413 PolarHBondContact O-N 3.33Å; I410-I414 HydrophobicContact CG2-CD1 3.71Å; I410-I414 HydrophobicContact CG2-CG1 4.33Å; I410-I414 VanDerWaalsContact O-CG1 3.31Å; I410-I414 WeakPolarHBondContact O-CG1 3.37Å; I410-I414 PolarHBondContact O-N 3.1Å |
| 411 | V | 94.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.8 | -43.9 | 178.2 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | F403 G407 V408 E409 I413 I414 M415 W449 F452 L510 A513 A514 Q517 | F403-V411 HydrophobicContact CZ-CG2 4.49Å; G407-V411 VanDerWaalsContact O-CG2 3.25Å; G407-V411 WeakPolarHBondContact O-CG2 3.41Å; G407-V411 PolarHBondContact O-N 2.95Å; V408-V411 PolarHBondContact O-N 3.4Å; E409-V411 PolarHBondContact O-N 2.86Å; V411-I413 VanDerWaalsContact C-N 3.33Å; V411-I413 PolarHBondContact O-N 2.84Å; V411-I414 PolarHBondContact O-N 3.43Å; V411-M415 WeakPolarHBondContact O-CB 3.3Å; V411-M415 PolarHBondContact O-N 2.78Å; V411-W449 HydrophobicContact CB-CH2 4.14Å; V411-W449 HydrophobicContact CB-CZ2 4.31Å; V411-W449 HydrophobicContact CG1-CH2 3.66Å; V411-W449 HydrophobicContact CG1-CZ2 3.85Å; V411-W449 HydrophobicContact CG2-CZ2 4.23Å; V411-F452 HydrophobicContact CG1-CE1 4.35Å; V411-L510 HydrophobicContact CG1-CD1 3.95Å; V411-A513 HydrophobicContact CG2-CB 3.8Å; V411-A514 HydrophobicContact CG1-CB 4.3Å; V411-Q517 HydrophobicContact CG2-CB 4.09Å |
| 412 | F | 94.8 | Very high | 91.3 | Very high | 13 Ų | 13 | 26.7 Ų | 26.7 | 6% | 0.057 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.1 | -37.3 | 176.8 | -67.2 | -24.4 | 0 | 0 | 0 | 112.7 | V408 E409 M415 T416 L434 L437 V438 L445 W449 F708 I712 | V408-F412 HydrophobicContact CG1-CD2 3.93Å; V408-F412 HydrophobicContact CG1-CE1 4.44Å; V408-F412 HydrophobicContact CG1-CE2 3.43Å; V408-F412 VanDerWaalsContact CG1-CE2 3.43Å; V408-F412 HydrophobicContact CG1-CZ 3.73Å; V408-F412 WeakPolarHBondContact O-CG 3.41Å; V408-F412 PolarHBondContact O-N 3.39Å; E409-F412 PolarHBondContact O-N 3.49Å; F412-M415 WeakPolarHBondContact O-CB 3.39Å; F412-M415 PolarHBondContact O-N 2.9Å; F412-T416 PolarHBondContact O-N 3.36Å; F412-L434 HydrophobicContact CB-CD1 4.09Å; F412-L434 HydrophobicContact CD1-CD1 3.73Å; F412-L434 HydrophobicContact CE1-CD1 4.38Å; F412-L434 HydrophobicContact CG-CD1 4.02Å; F412-L437 HydrophobicContact CE1-CB 3.82Å; F412-L437 HydrophobicContact CE1-CD1 4.21Å; F412-L437 HydrophobicContact CZ-CB 4.01Å; F412-V438 HydrophobicContact CD2-CG2 4.15Å; F412-V438 HydrophobicContact CE2-CG2 3.97Å; F412-V438 HydrophobicContact CZ-CG2 4.27Å; F412-L445 HydrophobicContact CZ-CD2 4.16Å; F412-W449 HydrophobicContact CE1-CH2 4.45Å; F412-W449 HydrophobicContact CE1-CZ3 4.22Å; F412-F708 HydrophobicContact CB-CE1 3.86Å; F412-F708 HydrophobicContact CB-CZ 3.99Å; F412-I712 HydrophobicContact CB-CD1 3.93Å; F412-I712 HydrophobicContact CD2-CD1 3.79Å; F412-I712 HydrophobicContact CG-CD1 4.33Å |
| 413 | I | 93.3 | Very high | 91.2 | Very high | 28 Ų | 28 | 26.7 Ų | 26.7 | 14% | 0.144 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.4 | -43.3 | 175.2 | -67.5 | 164.3 | 0 | 0 | 0 | 111.1 | E409 I410 V411 M415 T416 I417 A709 F713 | E409-I413 WeakPolarHBondContact O-CD1 3.31Å; E409-I413 VanDerWaalsContact O-CG1 3.26Å; E409-I413 WeakPolarHBondContact O-CG1 3.49Å; E409-I413 PolarHBondContact O-N 3.04Å; I410-I413 PolarHBondContact O-N 3.33Å; V411-I413 VanDerWaalsContact C-N 3.33Å; V411-I413 PolarHBondContact O-N 2.84Å; I413-M415 PolarHBondContact O-N 2.83Å; I413-T416 PolarHBondContact O-N 3.14Å; I413-T416 PolarHBondContact O-OG1 3.49Å; I413-I417 HydrophobicContact CG2-CD1 3.91Å; I413-I417 VanDerWaalsContact O-CG1 3.28Å; I413-I417 WeakPolarHBondContact O-CG1 3.15Å; I413-I417 PolarHBondContact O-N 3.23Å; I413-A709 HydrophobicContact CD1-CB 3.92Å; I413-A709 HydrophobicContact CG1-CB 3.94Å; I413-A709 HydrophobicContact CG2-CB 4.45Å; I413-F713 HydrophobicContact CD1-CD2 4.04Å; I413-F713 HydrophobicContact CD1-CE2 3.42Å; I413-F713 VanDerWaalsContact CD1-CE2 3.42Å; I413-F713 HydrophobicContact CD1-CZ 4.11Å |
| 414 | I | 93.3 | Very high | 91.1 | Very high | 47 Ų | 47 | 23.8 Ų | 23.8 | 24% | 0.241 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.4 | -38.1 | 175.1 | -68.4 | 168.6 | 0 | 0 | 0 | 110.1 | I410 V411 I417 D418 L510 A513 | I410-I414 HydrophobicContact CG2-CD1 3.71Å; I410-I414 HydrophobicContact CG2-CG1 4.33Å; I410-I414 VanDerWaalsContact O-CG1 3.31Å; I410-I414 WeakPolarHBondContact O-CG1 3.37Å; I410-I414 PolarHBondContact O-N 3.1Å; V411-I414 PolarHBondContact O-N 3.43Å; I414-I417 PolarHBondContact O-N 2.81Å; I414-D418 WeakPolarHBondContact O-CB 3.35Å; I414-D418 PolarHBondContact O-N 3.39Å; I414-L510 HydrophobicContact CG2-CB 4.07Å; I414-L510 HydrophobicContact CG2-CD1 4.26Å; I414-A513 HydrophobicContact CD1-CB 3.64Å |
| 415 | M | 94.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.2 | -40.9 | 176.8 | -164.8 | 173.8 | -171.8 | 0 | 0 | 112.7 | V411 F412 I413 D418 I419 Y430 L433 L434 F452 L510 | V411-M415 WeakPolarHBondContact O-CB 3.3Å; V411-M415 PolarHBondContact O-N 2.78Å; F412-M415 WeakPolarHBondContact O-CB 3.39Å; F412-M415 PolarHBondContact O-N 2.9Å; I413-M415 PolarHBondContact O-N 2.83Å; M415-D418 PolarHBondContact O-N 3.04Å; M415-I419 HydrophobicContact CG-CD1 4.46Å; M415-I419 WeakPolarHBondContact O-CD1 3.48Å; M415-I419 VanDerWaalsContact O-CG1 3.23Å; M415-I419 WeakPolarHBondContact O-CG1 3.5Å; M415-I419 PolarHBondContact O-N 2.9Å; M415-Y430 HydrophobicContact CE-CD1 4.48Å; M415-Y430 HydrophobicContact CE-CG 4.38Å; M415-Y430 WeakPolarHBondContact CE-O 3.4Å; M415-L433 HydrophobicContact CE-CB 3.96Å; M415-L433 HydrophobicContact CE-CD2 3.95Å; M415-L433 HydrophobicContact CE-CG 3.99Å; M415-L434 HydrophobicContact CE-CB 4.19Å; M415-L434 HydrophobicContact SD-CB 3.97Å; M415-L434 HydrophobicContact SD-CD1 3.83Å; M415-L434 HydrophobicContact SD-CG 4.47Å; M415-F452 HydrophobicContact CE-CE2 4.11Å; M415-F452 HydrophobicContact CE-CZ 4.43Å; M415-F452 HydrophobicContact SD-CE2 4.47Å; M415-F452 HydrophobicContact SD-CZ 4.28Å; M415-L510 HydrophobicContact CB-CD1 3.73Å; M415-L510 HydrophobicContact CB-CD2 4.28Å; M415-L510 HydrophobicContact CG-CD1 4.19Å; M415-L510 HydrophobicContact CG-CD2 3.93Å |
| 416 | T | 93.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -72.9 | -28.6 | 175.5 | 55.7 | 0 | 0 | 0 | 0 | 113.3 | F412 I413 A420 L434 I641 S705 F708 | F412-T416 PolarHBondContact O-N 3.36Å; I413-T416 PolarHBondContact O-N 3.14Å; I413-T416 PolarHBondContact O-OG1 3.49Å; T416-A420 WeakPolarHBondContact O-CB 3.42Å; T416-A420 PolarHBondContact O-N 3.2Å; T416-A420 VanDerWaalsContact O-N 3.09Å; T416-L434 HydrophobicContact CG2-CD2 3.45Å; T416-L434 VanDerWaalsContact CG2-CD2 3.45Å; T416-I641 HydrophobicContact CG2-CD1 4.48Å; T416-S705 PolarHBondContact O-OG 3.4Å; T416-F708 HydrophobicContact CG2-CD1 3.47Å; T416-F708 VanDerWaalsContact CG2-CD1 3.47Å; T416-F708 HydrophobicContact CG2-CD2 4.27Å; T416-F708 HydrophobicContact CG2-CE1 3.52Å; T416-F708 HydrophobicContact CG2-CE2 4.32Å; T416-F708 HydrophobicContact CG2-CG 3.84Å; T416-F708 HydrophobicContact CG2-CZ 3.94Å |
| 417 | I | 92 | Very high | 91.2 | Very high | 84 Ų | 84 | 23.2 Ų | 23.2 | 43% | 0.431 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -67.4 | -43.9 | 170.6 | -68.3 | 166.5 | 0 | 0 | 0 | 110.2 | I413 I414 A420 I421 | I413-I417 HydrophobicContact CG2-CD1 3.91Å; I413-I417 VanDerWaalsContact O-CG1 3.28Å; I413-I417 WeakPolarHBondContact O-CG1 3.15Å; I413-I417 PolarHBondContact O-N 3.23Å; I414-I417 PolarHBondContact O-N 2.81Å; I417-A420 PolarHBondContact O-N 3.16Å; I417-I421 HydrophobicContact CG2-CD1 3.91Å; I417-I421 WeakPolarHBondContact O-CG1 3.44Å; I417-I421 PolarHBondContact O-N 3.46Å |
| 418 | D | 91.6 | Very high | 91.2 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.011 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.3 | -47.7 | 176 | -175.1 | 36.4 | 0 | 0 | 0 | 111.5 | I414 M415 A420 I421 R422 Y430 A506 | I414-D418 WeakPolarHBondContact O-CB 3.35Å; I414-D418 PolarHBondContact O-N 3.39Å; M415-D418 PolarHBondContact O-N 3.04Å; D418-A420 VanDerWaalsContact C-N 3.29Å; D418-A420 PolarHBondContact O-N 2.89Å; D418-I421 PolarHBondContact O-N 2.72Å; D418-I421 VanDerWaalsContact O-N 3.14Å; D418-R422 WeakPolarHBondContact O-CB 3.49Å; D418-R422 WeakPolarHBondContact O-CG 3.48Å; D418-R422 PolarHBondContact O-N 2.89Å; D418-Y430 WeakPolarHBondContact OD2-CD2 3.43Å; D418-Y430 VanDerWaalsContact OD2-CE2 3.25Å; D418-Y430 WeakPolarHBondContact OD2-CE2 3.37Å; D418-A506 HydrophobicContact CB-CB 4.5Å; D418-A506 WeakPolarHBondContact OD1-CB 3.41Å |
| 419 | I | 92.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -55.7 | -43.2 | 173.6 | -69 | 163.8 | 0 | 0 | 0 | 111.7 | M415 I421 M423 A427 C431 L434 I641 V645 | M415-I419 HydrophobicContact CG-CD1 4.46Å; M415-I419 WeakPolarHBondContact O-CD1 3.48Å; M415-I419 VanDerWaalsContact O-CG1 3.23Å; M415-I419 WeakPolarHBondContact O-CG1 3.5Å; M415-I419 PolarHBondContact O-N 2.9Å; I419-I421 VanDerWaalsContact C-N 3.34Å; I419-I421 PolarHBondContact O-N 3.43Å; I419-M423 PolarHBondContact O-N 2.91Å; I419-M423 VanDerWaalsContact O-N 3.12Å; I419-A427 HydrophobicContact CG2-CB 4.23Å; I419-C431 HydrophobicContact CD1-CB 4Å; I419-L434 HydrophobicContact CD1-CD2 4.41Å; I419-I641 HydrophobicContact CG2-CG2 3.73Å; I419-V645 HydrophobicContact CG2-CG2 3.78Å |
| 420 | A | 88.2 | Confident | 91.3 | Very high | 30 Ų | 30 | 27.7 Ų | 27.7 | 25% | 0.248 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -69.9 | -27.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.7 | T416 I417 D418 I701 | T416-A420 WeakPolarHBondContact O-CB 3.42Å; T416-A420 PolarHBondContact O-N 3.2Å; T416-A420 VanDerWaalsContact O-N 3.09Å; I417-A420 PolarHBondContact O-N 3.16Å; D418-A420 VanDerWaalsContact C-N 3.29Å; D418-A420 PolarHBondContact O-N 2.89Å; A420-I701 HydrophobicContact CB-CB 4.47Å; A420-I701 HydrophobicContact CB-CG2 4.43Å |
| 421 | I | 86.7 | Confident | 91.3 | Very high | 82 Ų | 82 | 25.1 Ų | 25.1 | 42% | 0.421 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -80.7 | -42.7 | 176.2 | -67.6 | 168 | 0 | 0 | 0 | 110.7 | I417 D418 I419 F503 | I417-I421 HydrophobicContact CG2-CD1 3.91Å; I417-I421 WeakPolarHBondContact O-CG1 3.44Å; I417-I421 PolarHBondContact O-N 3.46Å; D418-I421 PolarHBondContact O-N 2.72Å; D418-I421 VanDerWaalsContact O-N 3.14Å; I419-I421 VanDerWaalsContact C-N 3.34Å; I419-I421 PolarHBondContact O-N 3.43Å; I421-F503 HydrophobicContact CG2-CD1 3.87Å; I421-F503 HydrophobicContact CG2-CE1 4.04Å |
| 422 | R | 87 | Confident | 91.2 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 2% | 0.019 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -77.7 | -49.4 | -172.1 | -71.4 | -167.6 | 71.6 | 110 | 4.4 | 114.3 | D418 D424 A427 F503 D507 | D418-R422 WeakPolarHBondContact O-CB 3.49Å; D418-R422 WeakPolarHBondContact O-CG 3.48Å; D418-R422 PolarHBondContact O-N 2.89Å; R422-D424 IonicContact CZ-OD2 3.29Å; R422-D424 IonicContact NE-OD1 2.72Å; R422-D424 PolarHBondContact NE-OD1 3.15Å; R422-D424 IonicContact NE-OD2 3.24Å; R422-D424 PolarHBondContact NE-OD2 3.5Å; R422-D424 VanDerWaalsContact NE-OD2 3.12Å; R422-D424 IonicContact NH2-OD2 2.85Å; R422-D424 PolarHBondContact NH2-OD2 3.38Å; R422-D424 PolarHBondContact O-N 2.97Å; R422-A427 HydrophobicContact CB-CB 3.94Å; R422-F503 HydrophobicContact CG-CB 4.18Å; R422-F503 HydrophobicContact CG-CG 4.42Å; R422-D507 WeakPolarHBondContact CD-OD1 3.47Å; R422-D507 IonicContact CZ-OD1 3.17Å; R422-D507 IonicContact CZ-OD2 2.73Å; R422-D507 IonicContact NE-OD1 2.67Å; R422-D507 IonicContact NH1-OD1 3.43Å; R422-D507 PolarHBondContact NH1-OD1 3.13Å; R422-D507 IonicContact NH1-OD2 3.86Å; R422-D507 PolarHBondContact NH1-OD2 3.34Å |
| 423 | M | 85.8 | Confident | 91.1 | Very high | 12 Ų | 12 | 28.8 Ų | 28.8 | 6% | 0.059 | 15% | 0.151 | C | C | . | . | trans | 50.2 | 23.7 | -179.5 | -61.3 | -67 | -74.9 | 0 | 0 | 115.8 | I419 W489 V645 Q648 I674 I701 | I419-M423 PolarHBondContact O-N 2.91Å; I419-M423 VanDerWaalsContact O-N 3.12Å; M423-W489 PolarHBondContact O-NE1 2.8Å; M423-W489 VanDerWaalsContact O-NE1 3.14Å; M423-V645 HydrophobicContact SD-CG2 4Å; M423-Q648 HydrophobicContact CB-CG 4.48Å; M423-Q648 HydrophobicContact CE-CG 3.41Å; M423-Q648 VanDerWaalsContact CE-CG 3.41Å; M423-I674 HydrophobicContact CE-CD1 4.07Å; M423-I701 HydrophobicContact CE-CD1 3.36Å; M423-I701 HydrophobicContact CE-CG1 3.74Å; M423-I701 HydrophobicContact SD-CD1 3.28Å; M423-I701 WeakPolarHBondContact SD-CD1 3.44Å; M423-I701 HydrophobicContact SD-CG1 3.88Å | ||
| 424 | D | 87.6 | Confident | 91.1 | Very high | 6 Ų | 6 | 27.4 Ų | 27.4 | 3% | 0.032 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -111.6 | -171.3 | -173.9 | 67.4 | -2 | 0 | 0 | 0 | 112.2 | R422 F426 A427 F428 W489 | R422-D424 IonicContact CZ-OD2 3.29Å; R422-D424 IonicContact NE-OD1 2.72Å; R422-D424 PolarHBondContact NE-OD1 3.15Å; R422-D424 IonicContact NE-OD2 3.24Å; R422-D424 PolarHBondContact NE-OD2 3.5Å; R422-D424 VanDerWaalsContact NE-OD2 3.12Å; R422-D424 IonicContact NH2-OD2 2.85Å; R422-D424 PolarHBondContact NH2-OD2 3.38Å; R422-D424 PolarHBondContact O-N 2.97Å; D424-F426 VanDerWaalsContact C-N 3.25Å; D424-F426 PolarHBondContact O-N 3.17Å; D424-F426 WeakPolarHBondContact OD1-CB 3.08Å; D424-F426 PolarHBondContact OD1-N 2.93Å; D424-F426 VanDerWaalsContact OD1-N 3.09Å; D424-A427 WeakPolarHBondContact O-CB 3.08Å; D424-A427 PolarHBondContact O-N 3.06Å; D424-A427 PolarHBondContact OD1-N 3.35Å; D424-F428 PolarHBondContact O-N 3.48Å; D424-F428 VanDerWaalsContact O-N 3.11Å; D424-W489 WeakPolarHBondContact CB-O 3.28Å |
| 425 | L | 90 | Very high | 91.1 | Very high | 62 Ų | 62 | 27.5 Ų | 27.5 | 33% | 0.325 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -57.1 | -36.4 | 174.8 | 179.7 | 64.1 | 0 | 0 | 0 | 112.9 | F428 V429 W489 L490 | L425-F428 WeakPolarHBondContact O-CB 3.33Å; L425-F428 PolarHBondContact O-N 2.97Å; L425-V429 WeakPolarHBondContact O-CG2 3.22Å; L425-V429 PolarHBondContact O-N 2.87Å; L425-V429 VanDerWaalsContact O-N 3.12Å; L425-W489 HydrophobicContact CB-CH2 4.33Å; L425-W489 HydrophobicContact CB-CZ3 4.26Å; L425-W489 HydrophobicContact CD1-CH2 4.07Å; L425-W489 HydrophobicContact CD1-CZ3 4.25Å; L425-W489 PolarHBondContact N-O 2.85Å; L425-W489 VanDerWaalsContact N-O 3.08Å; L425-L490 HydrophobicContact CD2-CD2 4.07Å |
| 426 | F | 91.3 | Very high | 91 | Very high | 33 Ų | 33 | 31.9 Ų | 31.9 | 15% | 0.145 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.3 | -38.3 | 178.3 | -71.8 | -78.9 | 0 | 0 | 0 | 111.7 | D424 F428 V429 Y430 Q463 I466 F491 | D424-F426 VanDerWaalsContact C-N 3.25Å; D424-F426 PolarHBondContact O-N 3.17Å; D424-F426 WeakPolarHBondContact OD1-CB 3.08Å; D424-F426 PolarHBondContact OD1-N 2.93Å; D424-F426 VanDerWaalsContact OD1-N 3.09Å; F426-F428 VanDerWaalsContact C-N 3.28Å; F426-F428 PolarHBondContact O-N 3.3Å; F426-V429 PolarHBondContact O-N 3.04Å; F426-Y430 WeakPolarHBondContact O-CB 3.14Å; F426-Y430 VanDerWaalsContact O-CG 3.26Å; F426-Y430 PolarHBondContact O-N 3.29Å; F426-Q463 HydrophobicContact CD1-CG 4.1Å; F426-Q463 HydrophobicContact CD2-CG 4.13Å; F426-Q463 HydrophobicContact CE1-CG 3.64Å; F426-Q463 HydrophobicContact CE2-CG 3.67Å; F426-Q463 HydrophobicContact CG-CG 4.33Å; F426-Q463 VanDerWaalsContact CG-NE2 3.28Å; F426-Q463 HydrophobicContact CZ-CG 3.4Å; F426-Q463 VanDerWaalsContact CZ-CG 3.4Å; F426-I466 HydrophobicContact CZ-CD1 4.39Å; F426-F491 HydrophobicContact CD2-CB 4.05Å; F426-F491 HydrophobicContact CD2-CD1 4.24Å; F426-F491 HydrophobicContact CD2-CG 4.21Å; F426-F491 HydrophobicContact CE2-CB 3.87Å; F426-F491 AromaticContact CE2-CD1 3.72Å; F426-F491 HydrophobicContact CE2-CD1 3.72Å; F426-F491 HydrophobicContact CE2-CG 4.04Å |
| 427 | A | 90.4 | Very high | 91 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.6 | -40.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I419 R422 D424 Y430 C431 V645 | I419-A427 HydrophobicContact CG2-CB 4.23Å; R422-A427 HydrophobicContact CB-CB 3.94Å; D424-A427 WeakPolarHBondContact O-CB 3.08Å; D424-A427 PolarHBondContact O-N 3.06Å; D424-A427 PolarHBondContact OD1-N 3.35Å; A427-Y430 PolarHBondContact O-N 3.32Å; A427-C431 WeakPolarHBondContact O-CB 3.43Å; A427-C431 PolarHBondContact O-N 3.31Å; A427-V645 HydrophobicContact CB-CG1 4.08Å |
| 428 | F | 92.5 | Very high | 90.9 | Very high | 61 Ų | 61 | 28.9 Ų | 28.9 | 27% | 0.268 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -61.5 | -46.1 | 174.8 | -178.8 | -97.3 | 0 | 0 | 0 | 111.7 | D424 L425 F426 C431 I432 L642 V645 A646 | D424-F428 PolarHBondContact O-N 3.48Å; D424-F428 VanDerWaalsContact O-N 3.11Å; L425-F428 WeakPolarHBondContact O-CB 3.33Å; L425-F428 PolarHBondContact O-N 2.97Å; F426-F428 VanDerWaalsContact C-N 3.28Å; F426-F428 PolarHBondContact O-N 3.3Å; F428-C431 PolarHBondContact O-N 2.94Å; F428-I432 HydrophobicContact CD1-CD1 3.95Å; F428-I432 HydrophobicContact CE1-CD1 3.43Å; F428-I432 VanDerWaalsContact CE1-CD1 3.43Å; F428-I432 HydrophobicContact CE1-CG1 4.44Å; F428-I432 HydrophobicContact CZ-CD1 3.88Å; F428-I432 PolarHBondContact O-N 2.79Å; F428-I432 VanDerWaalsContact O-N 3.13Å; F428-L642 HydrophobicContact CD2-CD1 3.72Å; F428-L642 HydrophobicContact CE2-CD1 3.61Å; F428-L642 HydrophobicContact CE2-CG 4.18Å; F428-L642 HydrophobicContact CG-CD1 4.46Å; F428-L642 HydrophobicContact CZ-CD1 4.29Å; F428-V645 HydrophobicContact CB-CG1 4.01Å; F428-A646 HydrophobicContact CD2-CB 4.29Å; F428-A646 HydrophobicContact CE2-CB 4.09Å |
| 429 | V | 92.4 | Very high | 90.7 | Very high | 60 Ų | 60 | 31.4 Ų | 31.4 | 36% | 0.364 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.3 | -43.8 | 175.7 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | L425 F426 C431 I432 L433 | L425-V429 WeakPolarHBondContact O-CG2 3.22Å; L425-V429 PolarHBondContact O-N 2.87Å; L425-V429 VanDerWaalsContact O-N 3.12Å; F426-V429 PolarHBondContact O-N 3.04Å; V429-C431 VanDerWaalsContact C-N 3.31Å; V429-C431 PolarHBondContact O-N 2.91Å; V429-I432 PolarHBondContact O-N 3.42Å; V429-L433 WeakPolarHBondContact O-CB 3.48Å; V429-L433 PolarHBondContact O-N 3.08Å |
| 430 | Y | 93.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.9 | -37.5 | 175.7 | -67.9 | -18.1 | 0 | 0 | 0 | 112 | M415 D418 F426 A427 L433 L434 L456 Q463 D507 | M415-Y430 HydrophobicContact CE-CD1 4.48Å; M415-Y430 HydrophobicContact CE-CG 4.38Å; M415-Y430 WeakPolarHBondContact CE-O 3.4Å; D418-Y430 WeakPolarHBondContact OD2-CD2 3.43Å; D418-Y430 VanDerWaalsContact OD2-CE2 3.25Å; D418-Y430 WeakPolarHBondContact OD2-CE2 3.37Å; F426-Y430 WeakPolarHBondContact O-CB 3.14Å; F426-Y430 VanDerWaalsContact O-CG 3.26Å; F426-Y430 PolarHBondContact O-N 3.29Å; A427-Y430 PolarHBondContact O-N 3.32Å; Y430-L433 PolarHBondContact O-N 2.95Å; Y430-L434 WeakPolarHBondContact O-CB 3.39Å; Y430-L434 PolarHBondContact O-N 3.34Å; Y430-L456 HydrophobicContact CD1-CD2 4.44Å; Y430-L456 HydrophobicContact CE1-CD2 3.78Å; Y430-Q463 PolarHBondContact OH-NE2 2.81Å; Y430-D507 PolarHBondContact OH-OD2 3Å |
| 431 | C | 92.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.5 | -40.5 | 176.6 | -164.1 | 0 | 0 | 0 | 0 | 112.8 | I419 A427 F428 V429 L433 L434 L435 L642 | I419-C431 HydrophobicContact CD1-CB 4Å; A427-C431 WeakPolarHBondContact O-CB 3.43Å; A427-C431 PolarHBondContact O-N 3.31Å; F428-C431 PolarHBondContact O-N 2.94Å; V429-C431 VanDerWaalsContact C-N 3.31Å; V429-C431 PolarHBondContact O-N 2.91Å; C431-L433 VanDerWaalsContact C-N 3.33Å; C431-L434 PolarHBondContact O-N 3.35Å; C431-L435 PolarHBondContact O-N 3.49Å; C431-L642 HydrophobicContact CB-CB 4.49Å; C431-L642 HydrophobicContact CB-CD1 3.75Å; C431-L642 VanDerWaalsContact SG-CA 3.57Å; C431-L642 VanDerWaalsContact SG-CB 3.57Å |
| 432 | I | 93.4 | Very high | 90.3 | Very high | 68 Ų | 68 | 37.8 Ų | 37.8 | 35% | 0.349 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62 | -44.6 | 173.5 | -67.4 | 173.1 | 0 | 0 | 0 | 110.3 | F428 V429 L434 L435 I436 L642 | F428-I432 HydrophobicContact CD1-CD1 3.95Å; F428-I432 HydrophobicContact CE1-CD1 3.43Å; F428-I432 VanDerWaalsContact CE1-CD1 3.43Å; F428-I432 HydrophobicContact CE1-CG1 4.44Å; F428-I432 HydrophobicContact CZ-CD1 3.88Å; F428-I432 PolarHBondContact O-N 2.79Å; F428-I432 VanDerWaalsContact O-N 3.13Å; V429-I432 PolarHBondContact O-N 3.42Å; I432-L434 VanDerWaalsContact C-N 3.34Å; I432-L434 PolarHBondContact O-N 2.96Å; I432-L435 WeakPolarHBondContact O-CB 3.44Å; I432-L435 PolarHBondContact O-N 2.87Å; I432-I436 HydrophobicContact CG2-CD1 4.06Å; I432-I436 WeakPolarHBondContact O-CG1 3.32Å; I432-I436 PolarHBondContact O-N 2.84Å; I432-I436 VanDerWaalsContact O-N 3.08Å; I432-L642 HydrophobicContact CG1-CD1 3.85Å |
| 433 | L | 92.5 | Very high | 90.1 | Very high | 22 Ų | 22 | 43.2 Ų | 43.2 | 12% | 0.115 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.6 | -41.7 | 178.3 | -175.7 | 58.9 | 0 | 0 | 0 | 111.6 | M415 V429 Y430 C431 L435 I436 L437 F452 L455 | M415-L433 HydrophobicContact CE-CB 3.96Å; M415-L433 HydrophobicContact CE-CD2 3.95Å; M415-L433 HydrophobicContact CE-CG 3.99Å; V429-L433 WeakPolarHBondContact O-CB 3.48Å; V429-L433 PolarHBondContact O-N 3.08Å; Y430-L433 PolarHBondContact O-N 2.95Å; C431-L433 VanDerWaalsContact C-N 3.33Å; L433-L435 PolarHBondContact O-N 2.77Å; L433-I436 PolarHBondContact O-N 3.41Å; L433-L437 HydrophobicContact CD1-CD1 4.36Å; L433-L437 HydrophobicContact CD1-CG 4.4Å; L433-L437 HydrophobicContact CG-CD1 4.04Å; L433-L437 WeakPolarHBondContact O-CB 3.26Å; L433-L437 WeakPolarHBondContact O-CG 3.17Å; L433-L437 PolarHBondContact O-N 3.12Å; L433-F452 HydrophobicContact CD1-CD2 4.1Å; L433-F452 HydrophobicContact CD2-CD2 3.6Å; L433-F452 HydrophobicContact CD2-CE2 3.44Å; L433-F452 VanDerWaalsContact CD2-CE2 3.44Å; L433-F452 HydrophobicContact CG-CD2 3.9Å; L433-F452 HydrophobicContact CG-CE2 3.88Å; L433-L455 HydrophobicContact CD1-CD2 4.05Å; L433-L455 HydrophobicContact CD2-CD2 3.71Å |
| 434 | L | 93.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.4 | -44.8 | 174.3 | -177.8 | 66.5 | 0 | 0 | 0 | 111.6 | F412 M415 T416 I419 Y430 C431 I432 I436 L437 V438 I638 F708 | F412-L434 HydrophobicContact CB-CD1 4.09Å; F412-L434 HydrophobicContact CD1-CD1 3.73Å; F412-L434 HydrophobicContact CE1-CD1 4.38Å; F412-L434 HydrophobicContact CG-CD1 4.02Å; M415-L434 HydrophobicContact CE-CB 4.19Å; M415-L434 HydrophobicContact SD-CB 3.97Å; M415-L434 HydrophobicContact SD-CD1 3.83Å; M415-L434 HydrophobicContact SD-CG 4.47Å; T416-L434 HydrophobicContact CG2-CD2 3.45Å; T416-L434 VanDerWaalsContact CG2-CD2 3.45Å; I419-L434 HydrophobicContact CD1-CD2 4.41Å; Y430-L434 WeakPolarHBondContact O-CB 3.39Å; Y430-L434 PolarHBondContact O-N 3.34Å; C431-L434 PolarHBondContact O-N 3.35Å; I432-L434 VanDerWaalsContact C-N 3.34Å; I432-L434 PolarHBondContact O-N 2.96Å; L434-I436 VanDerWaalsContact C-N 3.33Å; L434-I436 PolarHBondContact O-N 3.23Å; L434-L437 PolarHBondContact O-N 2.89Å; L434-V438 HydrophobicContact CD1-CG2 4.05Å; L434-V438 HydrophobicContact CG-CG2 4.35Å; L434-V438 WeakPolarHBondContact O-CB 3.24Å; L434-V438 WeakPolarHBondContact O-CG2 3.45Å; L434-V438 PolarHBondContact O-N 2.88Å; L434-I638 HydrophobicContact CD2-CG1 4.41Å; L434-F708 HydrophobicContact CD1-CZ 4.02Å; L434-F708 HydrophobicContact CD2-CE2 4.16Å; L434-F708 HydrophobicContact CD2-CZ 3.97Å; L434-F708 HydrophobicContact CG-CZ 4.36Å |
| 435 | L | 92.6 | Very high | 90.3 | Very high | 49 Ų | 49 | 45.7 Ų | 45.7 | 26% | 0.257 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.5 | -42.9 | 177.4 | -176.2 | 64.1 | 0 | 0 | 0 | 111.9 | C431 I432 L433 S439 Y635 I638 | C431-L435 PolarHBondContact O-N 3.49Å; I432-L435 WeakPolarHBondContact O-CB 3.44Å; I432-L435 PolarHBondContact O-N 2.87Å; L433-L435 PolarHBondContact O-N 2.77Å; L435-S439 PolarHBondContact O-N 3.09Å; L435-S439 PolarHBondContact O-OG 3.34Å; L435-Y635 HydrophobicContact CD1-CD1 3.96Å; L435-I638 HydrophobicContact CB-CG2 3.93Å; L435-I638 HydrophobicContact CD1-CB 4.37Å; L435-I638 HydrophobicContact CD1-CD1 4.49Å; L435-I638 HydrophobicContact CD1-CG2 4Å |
| 436 | I | 92.4 | Very high | 90.3 | Very high | 91 Ų | 91 | 43.7 Ų | 43.7 | 47% | 0.467 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.7 | -48.7 | 176 | -65.1 | 167 | 0 | 0 | 0 | 110.2 | I432 L433 L434 V438 S439 | I432-I436 HydrophobicContact CG2-CD1 4.06Å; I432-I436 WeakPolarHBondContact O-CG1 3.32Å; I432-I436 PolarHBondContact O-N 2.84Å; I432-I436 VanDerWaalsContact O-N 3.08Å; L433-I436 PolarHBondContact O-N 3.41Å; L434-I436 VanDerWaalsContact C-N 3.33Å; L434-I436 PolarHBondContact O-N 3.23Å; I436-V438 PolarHBondContact O-N 2.97Å; I436-S439 WeakPolarHBondContact O-CB 3.22Å; I436-S439 PolarHBondContact O-N 2.76Å |
| 437 | L | 92.5 | Very high | 90.3 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.7 | -42 | -175.4 | -69.2 | 171.1 | 0 | 0 | 0 | 113 | F412 L433 L434 S439 L440 L445 V448 F452 | F412-L437 HydrophobicContact CE1-CB 3.82Å; F412-L437 HydrophobicContact CE1-CD1 4.21Å; F412-L437 HydrophobicContact CZ-CB 4.01Å; L433-L437 HydrophobicContact CD1-CD1 4.36Å; L433-L437 HydrophobicContact CD1-CG 4.4Å; L433-L437 HydrophobicContact CG-CD1 4.04Å; L433-L437 WeakPolarHBondContact O-CB 3.26Å; L433-L437 WeakPolarHBondContact O-CG 3.17Å; L433-L437 PolarHBondContact O-N 3.12Å; L434-L437 PolarHBondContact O-N 2.89Å; L437-S439 PolarHBondContact O-N 3.27Å; L437-L440 PolarHBondContact O-N 3.45Å; L437-L445 HydrophobicContact CB-CD1 4.2Å; L437-L445 HydrophobicContact CD2-CD1 3.74Å; L437-V448 HydrophobicContact CD2-CG1 4.32Å; L437-F452 HydrophobicContact CD1-CD1 4.39Å; L437-F452 HydrophobicContact CD1-CD2 3.66Å; L437-F452 HydrophobicContact CD1-CE1 4.34Å; L437-F452 HydrophobicContact CD1-CE2 3.6Å; L437-F452 HydrophobicContact CD1-CG 4.06Å; L437-F452 HydrophobicContact CD1-CZ 3.94Å; L437-F452 HydrophobicContact CD2-CB 4.43Å; L437-F452 HydrophobicContact CD2-CG 4.46Å |
| 438 | V | 90.4 | Very high | 90.3 | Very high | 20 Ų | 20 | 49.5 Ų | 49.5 | 12% | 0.121 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.5 | -28 | 178.5 | 169.2 | 0 | 0 | 0 | 0 | 112 | F412 L434 I436 L440 L634 Y635 I638 | F412-V438 HydrophobicContact CD2-CG2 4.15Å; F412-V438 HydrophobicContact CE2-CG2 3.97Å; F412-V438 HydrophobicContact CZ-CG2 4.27Å; L434-V438 HydrophobicContact CD1-CG2 4.05Å; L434-V438 HydrophobicContact CG-CG2 4.35Å; L434-V438 WeakPolarHBondContact O-CB 3.24Å; L434-V438 WeakPolarHBondContact O-CG2 3.45Å; L434-V438 PolarHBondContact O-N 2.88Å; I436-V438 PolarHBondContact O-N 2.97Å; V438-L440 VanDerWaalsContact C-N 3.28Å; V438-L440 PolarHBondContact O-N 3.31Å; V438-L634 HydrophobicContact CG1-CD2 3.45Å; V438-L634 VanDerWaalsContact CG1-CD2 3.45Å; V438-L634 HydrophobicContact CG1-CG 4.19Å; V438-Y635 HydrophobicContact CG1-CE1 4.22Å; V438-I638 HydrophobicContact CB-CD1 4.15Å; V438-I638 HydrophobicContact CG1-CD1 4.13Å; V438-I638 HydrophobicContact CG2-CD1 4.06Å |
| 439 | S | 87.5 | Confident | 90.4 | Very high | 55 Ų | 55 | 46.6 Ų | 46.6 | 39% | 0.385 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -72.4 | -20.2 | 179 | -60.6 | 0 | 0 | 0 | 0 | 113.2 | L435 I436 L437 | L435-S439 PolarHBondContact O-N 3.09Å; L435-S439 PolarHBondContact O-OG 3.34Å; I436-S439 WeakPolarHBondContact O-CB 3.22Å; I436-S439 PolarHBondContact O-N 2.76Å; L437-S439 PolarHBondContact O-N 3.27Å |
| 440 | L | 88.2 | Confident | 90.3 | Very high | 51 Ų | 51 | 48.3 Ų | 48.3 | 27% | 0.267 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -82.5 | 148.8 | -177.3 | -60.4 | 175.1 | 0 | 0 | 0 | 112.5 | L437 V438 T444 L445 V448 | L437-L440 PolarHBondContact O-N 3.45Å; V438-L440 VanDerWaalsContact C-N 3.28Å; V438-L440 PolarHBondContact O-N 3.31Å; L440-T444 HydrophobicContact CD2-CG2 4.02Å; L440-L445 HydrophobicContact CB-CB 4.33Å; L440-L445 HydrophobicContact CB-CD1 4.5Å; L440-L445 HydrophobicContact CD1-CD1 4.41Å; L440-V448 HydrophobicContact CD1-CB 3.9Å; L440-V448 HydrophobicContact CD1-CG1 3.95Å; L440-V448 HydrophobicContact CD1-CG2 3.81Å |
| 441 | R | 84.3 | Confident | 90.2 | Very high | 159 Ų | 159 | 52.9 Ų | 52.9 | 60% | 0.6 | 27% | 0.271 | S | S | * | . | trans | -74.8 | 153.2 | 170 | -67.2 | -177.4 | 177.2 | 179.7 | -0.7 | 110.2 | Q443 T444 L445 | R441-Q443 VanDerWaalsContact C-N 3.26Å; R441-Q443 PolarHBondContact O-N 2.83Å; R441-Q443 VanDerWaalsContact O-N 3.09Å; R441-T444 CarbonylContact O-C 3.52Å; R441-T444 PolarHBondContact O-N 3.49Å; R441-L445 WeakPolarHBondContact O-CB 3.42Å; R441-L445 PolarHBondContact O-N 2.05Å | ||
| 442 | R | 86.6 | Confident | 90.2 | Very high | 35 Ų | 35 | 53 Ų | 53 | 13% | 0.132 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -49.8 | -40.2 | -178.1 | -167.5 | -178.2 | -172.7 | 110 | -0.2 | 114.2 | A446 F521 E524 N537 | R442-A446 PolarHBondContact O-N 3.08Å; R442-F521 HydrophobicContact CG-CE1 4.08Å; R442-E524 IonicContact CZ-OE1 2.92Å; R442-E524 IonicContact CZ-OE2 2.62Å; R442-E524 IonicContact NE-OE1 3.99Å; R442-E524 IonicContact NE-OE2 3.86Å; R442-E524 PolarHBondContact NE-OE2 3.06Å; R442-E524 IonicContact NH2-OE1 2.66Å; R442-E524 PolarHBondContact NH2-OE1 3.35Å; R442-E524 IonicContact NH2-OE2 3.32Å; R442-N537 PolarHBondContact NH2-ND2 2.9Å |
| 443 | Q | 82.2 | Confident | 90.1 | Very high | 119 Ų | 119 | 50.3 Ų | 50.3 | 56% | 0.556 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -67.7 | -46.3 | 177.9 | -70.9 | 172.4 | -19.6 | 0 | 0 | 112.2 | R441 L445 A446 N447 | R441-Q443 VanDerWaalsContact C-N 3.26Å; R441-Q443 PolarHBondContact O-N 2.83Å; R441-Q443 VanDerWaalsContact O-N 3.09Å; Q443-L445 VanDerWaalsContact C-N 3.33Å; Q443-A446 PolarHBondContact O-N 3.46Å; Q443-N447 PolarHBondContact O-N 2.61Å |
| 444 | T | 88.2 | Confident | 90.1 | Very high | 64 Ų | 64 | 54.3 Ų | 54.3 | 39% | 0.393 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.2 | -38.6 | 175.3 | -44.8 | 0 | 0 | 0 | 0 | 111.1 | L440 R441 A446 N447 V448 | L440-T444 HydrophobicContact CD2-CG2 4.02Å; R441-T444 CarbonylContact O-C 3.52Å; R441-T444 PolarHBondContact O-N 3.49Å; T444-A446 VanDerWaalsContact C-N 3.33Å; T444-A446 PolarHBondContact O-N 3.08Å; T444-N447 WeakPolarHBondContact O-CB 3.43Å; T444-N447 PolarHBondContact O-N 3.33Å; T444-N447 VanDerWaalsContact O-N 3.12Å; T444-V448 HydrophobicContact CG2-CG2 4.45Å; T444-V448 WeakPolarHBondContact O-CG2 3.23Å; T444-V448 PolarHBondContact O-N 2.89Å |
| 445 | L | 90.8 | Very high | 90 | Very high | 7 Ų | 7 | 57.5 Ų | 57.5 | 4% | 0.037 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.9 | -43 | 176.3 | -174.9 | 65.6 | 0 | 0 | 0 | 110.9 | V408 F412 L437 L440 R441 Q443 N447 V448 W449 F521 | V408-L445 HydrophobicContact CG1-CD2 3.72Å; V408-L445 HydrophobicContact CG2-CD2 4.43Å; F412-L445 HydrophobicContact CZ-CD2 4.16Å; L437-L445 HydrophobicContact CB-CD1 4.2Å; L437-L445 HydrophobicContact CD2-CD1 3.74Å; L440-L445 HydrophobicContact CB-CB 4.33Å; L440-L445 HydrophobicContact CB-CD1 4.5Å; L440-L445 HydrophobicContact CD1-CD1 4.41Å; R441-L445 WeakPolarHBondContact O-CB 3.42Å; R441-L445 PolarHBondContact O-N 2.05Å; Q443-L445 VanDerWaalsContact C-N 3.33Å; L445-N447 PolarHBondContact O-N 2.98Å; L445-V448 PolarHBondContact O-N 3.17Å; L445-W449 HydrophobicContact CD1-CE3 3.85Å; L445-W449 HydrophobicContact CD1-CZ3 3.97Å; L445-W449 HydrophobicContact CD2-CZ3 4.33Å; L445-W449 HydrophobicContact CG-CE3 3.95Å; L445-W449 HydrophobicContact CG-CZ3 4.19Å; L445-W449 VanDerWaalsContact O-CB 3.31Å; L445-W449 WeakPolarHBondContact O-CB 3.49Å; L445-W449 PolarHBondContact O-N 2.63Å; L445-F521 HydrophobicContact CD2-CZ 4.18Å; L445-F521 HydrophobicContact CG-CZ 4.29Å |
| 446 | A | 89.4 | Confident | 89.9 | Confident | 20 Ų | 20 | 55.2 Ų | 55.2 | 17% | 0.165 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.1 | -31.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R442 Q443 T444 F521 | R442-A446 PolarHBondContact O-N 3.08Å; Q443-A446 PolarHBondContact O-N 3.46Å; T444-A446 VanDerWaalsContact C-N 3.33Å; T444-A446 PolarHBondContact O-N 3.08Å; A446-F521 HydrophobicContact CB-CB 4.15Å; A446-F521 HydrophobicContact CB-CD1 3.76Å; A446-F521 HydrophobicContact CB-CD2 4.2Å; A446-F521 HydrophobicContact CB-CE1 4.14Å; A446-F521 HydrophobicContact CB-CG 3.8Å |
| 447 | N | 90.2 | Very high | 89.9 | Confident | 104 Ų | 104 | 51.6 Ų | 51.6 | 56% | 0.556 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -77.4 | -43.4 | 175.1 | -67.3 | -17.1 | 0 | 0 | 0 | 111.8 | Q443 T444 L445 W449 | Q443-N447 PolarHBondContact O-N 2.61Å; T444-N447 WeakPolarHBondContact O-CB 3.43Å; T444-N447 PolarHBondContact O-N 3.33Å; T444-N447 VanDerWaalsContact O-N 3.12Å; L445-N447 PolarHBondContact O-N 2.98Å; N447-W449 VanDerWaalsContact C-N 3.26Å; N447-W449 PolarHBondContact O-N 2.97Å |
| 448 | V | 91.4 | Very high | 89.9 | Confident | 50 Ų | 50 | 56.7 Ų | 56.7 | 30% | 0.303 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -71.5 | -22 | 178.9 | 176 | 0 | 0 | 0 | 0 | 112 | L437 L440 T444 L445 Y450 V451 F452 | L437-V448 HydrophobicContact CD2-CG1 4.32Å; L440-V448 HydrophobicContact CD1-CB 3.9Å; L440-V448 HydrophobicContact CD1-CG1 3.95Å; L440-V448 HydrophobicContact CD1-CG2 3.81Å; T444-V448 HydrophobicContact CG2-CG2 4.45Å; T444-V448 WeakPolarHBondContact O-CG2 3.23Å; T444-V448 PolarHBondContact O-N 2.89Å; L445-V448 PolarHBondContact O-N 3.17Å; V448-Y450 PolarHBondContact O-N 2.77Å; V448-Y450 VanDerWaalsContact O-N 3.15Å; V448-V451 WeakPolarHBondContact O-CA 3.15Å; V448-V451 WeakPolarHBondContact O-CB 3.44Å; V448-V451 PolarHBondContact O-N 2.84Å; V448-F452 PolarHBondContact O-N 3.24Å |
| 449 | W | 93.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.5 | -30.7 | -177.4 | -153.6 | -102.4 | 0 | 0 | 0 | 114 | V411 F412 L445 N447 V451 F452 I453 A514 Q517 F521 | V411-W449 HydrophobicContact CB-CH2 4.14Å; V411-W449 HydrophobicContact CB-CZ2 4.31Å; V411-W449 HydrophobicContact CG1-CH2 3.66Å; V411-W449 HydrophobicContact CG1-CZ2 3.85Å; V411-W449 HydrophobicContact CG2-CZ2 4.23Å; F412-W449 HydrophobicContact CE1-CH2 4.45Å; F412-W449 HydrophobicContact CE1-CZ3 4.22Å; L445-W449 HydrophobicContact CD1-CE3 3.85Å; L445-W449 HydrophobicContact CD1-CZ3 3.97Å; L445-W449 HydrophobicContact CD2-CZ3 4.33Å; L445-W449 HydrophobicContact CG-CE3 3.95Å; L445-W449 HydrophobicContact CG-CZ3 4.19Å; L445-W449 VanDerWaalsContact O-CB 3.31Å; L445-W449 WeakPolarHBondContact O-CB 3.49Å; L445-W449 PolarHBondContact O-N 2.63Å; N447-W449 VanDerWaalsContact C-N 3.26Å; N447-W449 PolarHBondContact O-N 2.97Å; W449-V451 VanDerWaalsContact C-N 3.34Å; W449-F452 HydrophobicContact CD2-CD1 4Å; W449-F452 AromaticContact CE2-CD1 3.98Å; W449-F452 HydrophobicContact CE3-CD1 4.03Å; W449-F452 HydrophobicContact CH2-CD1 4.1Å; W449-F452 AromaticContact CH2-CE1 3.9Å; W449-F452 HydrophobicContact CH2-CE1 3.9Å; W449-F452 HydrophobicContact CZ2-CD1 4.05Å; W449-F452 AromaticContact CZ2-CE1 3.95Å; W449-F452 HydrophobicContact CZ2-CE1 3.95Å; W449-F452 HydrophobicContact CZ3-CD1 4.08Å; W449-F452 HydrophobicContact CZ3-CE1 4.24Å; W449-F452 PolarHBondContact O-N 2.83Å; W449-I453 PolarHBondContact O-N 3Å; W449-A514 HydrophobicContact CZ2-CB 4.09Å; W449-A514 PolarHBondContact NE1-O 2.97Å; W449-Q517 HydrophobicContact CH2-CG 4.32Å; W449-Q517 HydrophobicContact CZ2-CB 3.82Å; W449-Q517 HydrophobicContact CZ2-CG 3.67Å; W449-F521 HydrophobicContact CB-CD2 4.14Å; W449-F521 HydrophobicContact CB-CE2 4.17Å; W449-F521 HydrophobicContact CD2-CD2 4.25Å; W449-F521 AromaticContact CD2-CE2 3.71Å; W449-F521 HydrophobicContact CD2-CE2 3.71Å; W449-F521 AromaticContact CE3-CE2 3.96Å; W449-F521 HydrophobicContact CE3-CE2 3.96Å; W449-F521 AromaticContact CG-CD2 3.89Å; W449-F521 HydrophobicContact CG-CD2 3.89Å; W449-F521 AromaticContact CG-CE2 3.81Å; W449-F521 HydrophobicContact CG-CE2 3.81Å |
| 450 | Y | 90.5 | Very high | 90.1 | Very high | 96 Ų | 96 | 54.1 Ų | 54.1 | 38% | 0.376 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 174.7 | -67.9 | -86.8 | 0 | 0 | 0 | 111.5 | V448 L454 L518 | V448-Y450 PolarHBondContact O-N 2.77Å; V448-Y450 VanDerWaalsContact O-N 3.15Å; Y450-L454 WeakPolarHBondContact O-CB 3.25Å; Y450-L454 PolarHBondContact O-N 2.66Å; Y450-L454 VanDerWaalsContact O-N 3.08Å; Y450-L518 HydrophobicContact CD1-CD1 3.93Å; Y450-L518 HydrophobicContact CD2-CD1 4.41Å; Y450-L518 HydrophobicContact CE1-CD1 3.63Å; Y450-L518 HydrophobicContact CE1-CD2 4.37Å; Y450-L518 HydrophobicContact CE1-CG 4.48Å; Y450-L518 HydrophobicContact CE2-CD1 4.12Å; Y450-L518 HydrophobicContact CG-CD1 4.31Å |
| 451 | V | 92 | Very high | 90.3 | Very high | 97 Ų | 97 | 53.4 Ų | 53.4 | 59% | 0.588 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -67.6 | -41.9 | 176.4 | -176.6 | 0 | 0 | 0 | 0 | 110.2 | V448 W449 I453 L454 L455 | V448-V451 WeakPolarHBondContact O-CA 3.15Å; V448-V451 WeakPolarHBondContact O-CB 3.44Å; V448-V451 PolarHBondContact O-N 2.84Å; W449-V451 VanDerWaalsContact C-N 3.34Å; V451-I453 PolarHBondContact O-N 2.7Å; V451-L454 PolarHBondContact O-N 2.84Å; V451-L455 WeakPolarHBondContact O-CB 3.47Å; V451-L455 PolarHBondContact O-N 3.27Å |
| 452 | F | 92.1 | Very high | 90.6 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 1% | 0.013 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.3 | -46.8 | 176.6 | 174.8 | -122 | 0 | 0 | 0 | 112.5 | V411 M415 L433 L437 V448 W449 L455 L456 A514 | V411-F452 HydrophobicContact CG1-CE1 4.35Å; M415-F452 HydrophobicContact CE-CE2 4.11Å; M415-F452 HydrophobicContact CE-CZ 4.43Å; M415-F452 HydrophobicContact SD-CE2 4.47Å; M415-F452 HydrophobicContact SD-CZ 4.28Å; L433-F452 HydrophobicContact CD1-CD2 4.1Å; L433-F452 HydrophobicContact CD2-CD2 3.6Å; L433-F452 HydrophobicContact CD2-CE2 3.44Å; L433-F452 VanDerWaalsContact CD2-CE2 3.44Å; L433-F452 HydrophobicContact CG-CD2 3.9Å; L433-F452 HydrophobicContact CG-CE2 3.88Å; L437-F452 HydrophobicContact CD1-CD1 4.39Å; L437-F452 HydrophobicContact CD1-CD2 3.66Å; L437-F452 HydrophobicContact CD1-CE1 4.34Å; L437-F452 HydrophobicContact CD1-CE2 3.6Å; L437-F452 HydrophobicContact CD1-CG 4.06Å; L437-F452 HydrophobicContact CD1-CZ 3.94Å; L437-F452 HydrophobicContact CD2-CB 4.43Å; L437-F452 HydrophobicContact CD2-CG 4.46Å; V448-F452 PolarHBondContact O-N 3.24Å; W449-F452 HydrophobicContact CD2-CD1 4Å; W449-F452 AromaticContact CE2-CD1 3.98Å; W449-F452 HydrophobicContact CE3-CD1 4.03Å; W449-F452 HydrophobicContact CH2-CD1 4.1Å; W449-F452 AromaticContact CH2-CE1 3.9Å; W449-F452 HydrophobicContact CH2-CE1 3.9Å; W449-F452 HydrophobicContact CZ2-CD1 4.05Å; W449-F452 AromaticContact CZ2-CE1 3.95Å; W449-F452 HydrophobicContact CZ2-CE1 3.95Å; W449-F452 HydrophobicContact CZ3-CD1 4.08Å; W449-F452 HydrophobicContact CZ3-CE1 4.24Å; W449-F452 PolarHBondContact O-N 2.83Å; F452-L455 PolarHBondContact O-N 3.22Å; F452-L456 HydrophobicContact CD1-CD1 4.31Å; F452-L456 HydrophobicContact CD2-CD1 4.41Å; F452-L456 HydrophobicContact CD2-CG 4.3Å; F452-L456 HydrophobicContact CE1-CD1 3.73Å; F452-L456 HydrophobicContact CE2-CD1 3.84Å; F452-L456 HydrophobicContact CE2-CD2 4.2Å; F452-L456 HydrophobicContact CE2-CG 3.91Å; F452-L456 HydrophobicContact CZ-CD1 3.47Å; F452-L456 VanDerWaalsContact CZ-CD1 3.47Å; F452-L456 HydrophobicContact CZ-CD2 4.48Å; F452-L456 HydrophobicContact CZ-CG 4.09Å; F452-L456 WeakPolarHBondContact O-CG 3.36Å; F452-L456 PolarHBondContact O-N 3Å; F452-A514 HydrophobicContact CD1-CB 4.44Å; F452-A514 HydrophobicContact CE1-CB 3.88Å |
| 453 | I | 91.8 | Very high | 90.9 | Very high | 12 Ų | 12 | 45.7 Ų | 45.7 | 6% | 0.062 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.7 | -41 | 177.7 | -76.1 | 175.2 | 0 | 0 | 0 | 111.7 | T268 W449 V451 L455 L456 A457 F511 A514 L518 | T268-I453 HydrophobicContact CG2-CG2 4.24Å; W449-I453 PolarHBondContact O-N 3Å; V451-I453 PolarHBondContact O-N 2.7Å; I453-L455 VanDerWaalsContact C-N 3.32Å; I453-L456 PolarHBondContact O-N 2.72Å; I453-A457 WeakPolarHBondContact O-CB 3.5Å; I453-A457 PolarHBondContact O-N 3.49Å; I453-F511 HydrophobicContact CG2-CE2 3.83Å; I453-F511 HydrophobicContact CG2-CZ 4.29Å; I453-A514 HydrophobicContact CG1-CB 4.28Å; I453-L518 HydrophobicContact CD1-CB 3.5Å; I453-L518 HydrophobicContact CD1-CD1 4.33Å; I453-L518 HydrophobicContact CD1-CD2 3.67Å; I453-L518 HydrophobicContact CD1-CG 4.01Å |
| 454 | L | 91.6 | Very high | 91.3 | Very high | 107 Ų | 107 | 40.2 Ų | 40.2 | 56% | 0.56 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -61.2 | -44 | 176.3 | -178.3 | 65.6 | 0 | 0 | 0 | 110.9 | Y450 V451 A457 I458 | Y450-L454 WeakPolarHBondContact O-CB 3.25Å; Y450-L454 PolarHBondContact O-N 2.66Å; Y450-L454 VanDerWaalsContact O-N 3.08Å; V451-L454 PolarHBondContact O-N 2.84Å; L454-A457 PolarHBondContact O-N 3.15Å; L454-I458 HydrophobicContact CD1-CD1 4.18Å; L454-I458 HydrophobicContact CG-CD1 3.97Å; L454-I458 VanDerWaalsContact O-CG1 3.3Å; L454-I458 WeakPolarHBondContact O-CG1 3.33Å; L454-I458 PolarHBondContact O-N 2.93Å |
| 455 | L | 91.6 | Very high | 91.5 | Very high | 67 Ų | 67 | 40.6 Ų | 40.6 | 35% | 0.351 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.4 | -48.6 | 176.9 | -175.9 | 68.5 | 0 | 0 | 0 | 111.4 | L433 V451 F452 I453 A457 I458 C459 | L433-L455 HydrophobicContact CD1-CD2 4.05Å; L433-L455 HydrophobicContact CD2-CD2 3.71Å; V451-L455 WeakPolarHBondContact O-CB 3.47Å; V451-L455 PolarHBondContact O-N 3.27Å; F452-L455 PolarHBondContact O-N 3.22Å; I453-L455 VanDerWaalsContact C-N 3.32Å; L455-A457 VanDerWaalsContact C-N 3.33Å; L455-A457 PolarHBondContact O-N 3.24Å; L455-I458 PolarHBondContact O-N 3.48Å; L455-C459 WeakPolarHBondContact O-CB 3.23Å; L455-C459 PolarHBondContact O-N 3.43Å; L455-C459 PolarHBondContact O-SG 2.93Å |
| 456 | L | 92 | Very high | 91.4 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60 | -41.8 | 176.3 | -72.4 | -179.4 | 0 | 0 | 0 | 112.3 | Y430 F452 I453 C459 I460 L510 F511 A514 | Y430-L456 HydrophobicContact CD1-CD2 4.44Å; Y430-L456 HydrophobicContact CE1-CD2 3.78Å; F452-L456 HydrophobicContact CD1-CD1 4.31Å; F452-L456 HydrophobicContact CD2-CD1 4.41Å; F452-L456 HydrophobicContact CD2-CG 4.3Å; F452-L456 HydrophobicContact CE1-CD1 3.73Å; F452-L456 HydrophobicContact CE2-CD1 3.84Å; F452-L456 HydrophobicContact CE2-CD2 4.2Å; F452-L456 HydrophobicContact CE2-CG 3.91Å; F452-L456 HydrophobicContact CZ-CD1 3.47Å; F452-L456 VanDerWaalsContact CZ-CD1 3.47Å; F452-L456 HydrophobicContact CZ-CD2 4.48Å; F452-L456 HydrophobicContact CZ-CG 4.09Å; F452-L456 WeakPolarHBondContact O-CG 3.36Å; F452-L456 PolarHBondContact O-N 3Å; I453-L456 PolarHBondContact O-N 2.72Å; L456-C459 PolarHBondContact O-N 2.99Å; L456-I460 VanDerWaalsContact O-CG1 3.3Å; L456-I460 WeakPolarHBondContact O-CG1 3.34Å; L456-I460 PolarHBondContact O-N 2.84Å; L456-L510 HydrophobicContact CD1-CD2 4.39Å; L456-L510 HydrophobicContact CD1-CG 4.13Å; L456-L510 HydrophobicContact CD2-CD2 4.03Å; L456-F511 HydrophobicContact CB-CD2 3.92Å; L456-A514 HydrophobicContact CD1-CB 4.18Å |
| 457 | A | 91.3 | Very high | 91.4 | Very high | 15 Ų | 15 | 42.9 Ų | 42.9 | 12% | 0.124 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.5 | -45.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | I264 I453 L454 L455 V461 F511 | I264-A457 HydrophobicContact CD1-CB 4.29Å; I264-A457 HydrophobicContact CG2-CB 3.76Å; I453-A457 WeakPolarHBondContact O-CB 3.5Å; I453-A457 PolarHBondContact O-N 3.49Å; L454-A457 PolarHBondContact O-N 3.15Å; L455-A457 VanDerWaalsContact C-N 3.33Å; L455-A457 PolarHBondContact O-N 3.24Å; A457-V461 WeakPolarHBondContact O-CG2 3.24Å; A457-V461 PolarHBondContact O-N 2.87Å; A457-F511 HydrophobicContact CB-CE2 3.91Å; A457-F511 HydrophobicContact CB-CZ 4.49Å |
| 458 | I | 91.8 | Very high | 91.3 | Very high | 108 Ų | 108 | 39 Ų | 39 | 55% | 0.554 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -64.5 | -44 | 177.1 | -67 | 166.6 | 0 | 0 | 0 | 110.3 | L454 L455 G462 | L454-I458 HydrophobicContact CD1-CD1 4.18Å; L454-I458 HydrophobicContact CG-CD1 3.97Å; L454-I458 VanDerWaalsContact O-CG1 3.3Å; L454-I458 WeakPolarHBondContact O-CG1 3.33Å; L454-I458 PolarHBondContact O-N 2.93Å; L455-I458 PolarHBondContact O-N 3.48Å; I458-G462 PolarHBondContact O-N 2.69Å |
| 459 | C | 91.2 | Very high | 91.1 | Very high | 21 Ų | 21 | 37.6 Ų | 37.6 | 14% | 0.142 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.8 | -47 | 178.5 | -71.8 | 0 | 0 | 0 | 0 | 112.2 | L455 L456 G462 Q463 | L455-C459 WeakPolarHBondContact O-CB 3.23Å; L455-C459 PolarHBondContact O-N 3.43Å; L455-C459 PolarHBondContact O-SG 2.93Å; L456-C459 PolarHBondContact O-N 2.99Å; C459-G462 PolarHBondContact O-N 3.29Å; C459-Q463 WeakPolarHBondContact O-CB 3Å; C459-Q463 VanDerWaalsContact O-CG 3.27Å; C459-Q463 WeakPolarHBondContact O-CG 3.42Å; C459-Q463 PolarHBondContact O-N 2.86Å |
| 460 | I | 91.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.2 | -45.6 | -178.6 | -70.5 | 166.9 | 0 | 0 | 0 | 111.3 | F245 I264 L456 Y464 D507 F511 | F245-I460 HydrophobicContact CE2-CG2 3.52Å; F245-I460 HydrophobicContact CZ-CG2 3.74Å; I264-I460 HydrophobicContact CD1-CB 4.31Å; I264-I460 HydrophobicContact CD1-CG2 4.18Å; L456-I460 VanDerWaalsContact O-CG1 3.3Å; L456-I460 WeakPolarHBondContact O-CG1 3.34Å; L456-I460 PolarHBondContact O-N 2.84Å; I460-Y464 PolarHBondContact O-N 3.41Å; I460-D507 HydrophobicContact CD1-CB 4.17Å; I460-D507 HydrophobicContact CG1-CB 3.87Å; I460-F511 HydrophobicContact CD1-CB 3.6Å; I460-F511 HydrophobicContact CD1-CD2 4.31Å; I460-F511 HydrophobicContact CD1-CG 4.05Å |
| 461 | V | 91.5 | Very high | 90.1 | Very high | 37 Ų | 37 | 37.8 Ų | 37.8 | 22% | 0.224 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65 | -42.8 | 177.3 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | I264 A457 Y464 V465 | I264-V461 HydrophobicContact CD1-CG2 3.63Å; A457-V461 WeakPolarHBondContact O-CG2 3.24Å; A457-V461 PolarHBondContact O-N 2.87Å; V461-Y464 PolarHBondContact O-N 2.9Å; V461-V465 WeakPolarHBondContact O-CG2 3.16Å; V461-V465 PolarHBondContact O-N 2.92Å |
| 462 | G | 90.8 | Very high | 89.1 | Confident | 31 Ų | 31 | 34.3 Ų | 34.3 | 32% | 0.32 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61 | -46.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I458 C459 Y464 V465 I466 | I458-G462 PolarHBondContact O-N 2.69Å; C459-G462 PolarHBondContact O-N 3.29Å; G462-Y464 VanDerWaalsContact C-N 3.33Å; G462-Y464 PolarHBondContact O-N 3.32Å; G462-V465 PolarHBondContact O-N 2.96Å; G462-I466 VanDerWaalsContact O-CG1 3.28Å; G462-I466 WeakPolarHBondContact O-CG1 3.44Å; G462-I466 PolarHBondContact O-N 3.44Å |
| 463 | Q | 92.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.5 | -41.1 | 175.6 | -76.5 | 177.5 | 22.3 | 0 | 0 | 112.1 | F426 Y430 C459 I466 C467 F491 L504 D507 | F426-Q463 HydrophobicContact CD1-CG 4.1Å; F426-Q463 HydrophobicContact CD2-CG 4.13Å; F426-Q463 HydrophobicContact CE1-CG 3.64Å; F426-Q463 HydrophobicContact CE2-CG 3.67Å; F426-Q463 HydrophobicContact CG-CG 4.33Å; F426-Q463 VanDerWaalsContact CG-NE2 3.28Å; F426-Q463 HydrophobicContact CZ-CG 3.4Å; F426-Q463 VanDerWaalsContact CZ-CG 3.4Å; Y430-Q463 PolarHBondContact OH-NE2 2.81Å; C459-Q463 WeakPolarHBondContact O-CB 3Å; C459-Q463 VanDerWaalsContact O-CG 3.27Å; C459-Q463 WeakPolarHBondContact O-CG 3.42Å; C459-Q463 PolarHBondContact O-N 2.86Å; Q463-I466 WeakPolarHBondContact O-CB 3.43Å; Q463-I466 PolarHBondContact O-N 3.37Å; Q463-C467 PolarHBondContact O-N 3.48Å; Q463-C467 PolarHBondContact O-SG 3.26Å; Q463-F491 HydrophobicContact CB-CE1 4.26Å; Q463-F491 HydrophobicContact CG-CE1 4.37Å; Q463-L504 HydrophobicContact CB-CD1 4.3Å; Q463-L504 HydrophobicContact CB-CD2 4.22Å; Q463-L504 HydrophobicContact CB-CG 4.24Å; Q463-D507 VanDerWaalsContact CD-OD2 3.26Å; Q463-D507 PolarHBondContact NE2-OD2 3.38Å; Q463-D507 PolarHBondContact OE1-OD2 3.36Å |
| 464 | Y | 92.2 | Very high | 87.1 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.7 | -44.1 | 176.9 | -175.3 | -87.4 | 0 | 0 | 0 | 111.3 | A248 S253 N256 T257 P260 I460 V461 G462 I466 C467 V468 L504 | A248-Y464 HydrophobicContact CB-CE2 3.84Å; A248-Y464 WeakPolarHBondContact O-CE2 3.41Å; A248-Y464 PolarHBondContact O-OH 2.84Å; S253-Y464 PolarHBondContact N-OH 3.22Å; S253-Y464 PolarHBondContact O-OH 3.35Å; N256-Y464 VanDerWaalsContact CB-OH 3.26Å; N256-Y464 WeakPolarHBondContact CB-OH 3.46Å; T257-Y464 HydrophobicContact CG2-CD1 4.26Å; T257-Y464 HydrophobicContact CG2-CE1 4.37Å; P260-Y464 HydrophobicContact CG-CD1 4.01Å; P260-Y464 HydrophobicContact CG-CD2 3.85Å; P260-Y464 HydrophobicContact CG-CE1 4.32Å; P260-Y464 HydrophobicContact CG-CE2 4.15Å; P260-Y464 HydrophobicContact CG-CG 3.77Å; I460-Y464 PolarHBondContact O-N 3.41Å; V461-Y464 PolarHBondContact O-N 2.9Å; G462-Y464 VanDerWaalsContact C-N 3.33Å; G462-Y464 PolarHBondContact O-N 3.32Å; Y464-I466 VanDerWaalsContact C-N 3.29Å; Y464-I466 PolarHBondContact O-N 3.5Å; Y464-C467 WeakPolarHBondContact O-CB 3.48Å; Y464-C467 PolarHBondContact O-N 3.21Å; Y464-C467 VanDerWaalsContact O-N 3.1Å; Y464-V468 HydrophobicContact CD1-CG2 3.98Å; Y464-V468 HydrophobicContact CE1-CG2 3.52Å; Y464-V468 WeakPolarHBondContact O-CG2 3.47Å; Y464-V468 PolarHBondContact O-N 3.42Å; Y464-L504 HydrophobicContact CD2-CD2 4.19Å |
| 465 | V | 90.8 | Very high | 86.1 | Confident | 73 Ų | 73 | 36.6 Ų | 36.6 | 44% | 0.442 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.3 | -38.3 | 175.2 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | T257 V461 G462 C467 V468 G469 | T257-V465 HydrophobicContact CG2-CG2 3.93Å; V461-V465 WeakPolarHBondContact O-CG2 3.16Å; V461-V465 PolarHBondContact O-N 2.92Å; G462-V465 PolarHBondContact O-N 2.96Å; V465-C467 VanDerWaalsContact C-N 3.35Å; V465-V468 PolarHBondContact O-N 3.32Å; V465-G469 PolarHBondContact O-N 3.25Å |
| 466 | I | 89.9 | Confident | 85.4 | Confident | 55 Ų | 55 | 38.1 Ų | 38.1 | 28% | 0.282 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61 | -43.9 | 172.7 | -71 | 163.8 | 0 | 0 | 0 | 110.8 | F426 G462 Q463 Y464 V468 G469 F491 P493 | F426-I466 HydrophobicContact CZ-CD1 4.39Å; G462-I466 VanDerWaalsContact O-CG1 3.28Å; G462-I466 WeakPolarHBondContact O-CG1 3.44Å; G462-I466 PolarHBondContact O-N 3.44Å; Q463-I466 WeakPolarHBondContact O-CB 3.43Å; Q463-I466 PolarHBondContact O-N 3.37Å; Y464-I466 VanDerWaalsContact C-N 3.29Å; Y464-I466 PolarHBondContact O-N 3.5Å; I466-V468 VanDerWaalsContact C-N 3.31Å; I466-V468 PolarHBondContact O-N 3.23Å; I466-G469 PolarHBondContact O-N 2.98Å; I466-F491 HydrophobicContact CG2-CD1 4.33Å; I466-F491 VanDerWaalsContact CG2-O 3.29Å; I466-F491 WeakPolarHBondContact CG2-O 3.44Å; I466-P493 HydrophobicContact CG2-CB 4.45Å; I466-P493 HydrophobicContact CG2-CG 4.19Å; I466-P493 WeakPolarHBondContact O-CB 3.41Å |
| 467 | C | 89.1 | Confident | 84.5 | Confident | 20 Ų | 20 | 45 Ų | 45 | 14% | 0.135 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.3 | -31.6 | 177.6 | -62.6 | 0 | 0 | 0 | 0 | 113.4 | V252 Q463 Y464 V465 P499 V501 | V252-C467 HydrophobicContact CG1-CB 4.21Å; Q463-C467 PolarHBondContact O-N 3.48Å; Q463-C467 PolarHBondContact O-SG 3.26Å; Y464-C467 WeakPolarHBondContact O-CB 3.48Å; Y464-C467 PolarHBondContact O-N 3.21Å; Y464-C467 VanDerWaalsContact O-N 3.1Å; V465-C467 VanDerWaalsContact C-N 3.35Å; C467-P499 HydrophobicContact CB-CG 4.47Å; C467-V501 HydrophobicContact CB-CG1 3.66Å |
| 468 | V | 88.3 | Confident | 84.1 | Confident | 21 Ų | 21 | 45.2 Ų | 45.2 | 13% | 0.127 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69 | -35.9 | 175.5 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | V252 A254 W328 Y464 V465 I466 | V252-V468 HydrophobicContact CG1-CG2 3.83Å; A254-V468 HydrophobicContact CB-CG1 4.43Å; W328-V468 HydrophobicContact CZ2-CG1 4.15Å; W328-V468 PolarHBondContact NE1-O 3.27Å; Y464-V468 HydrophobicContact CD1-CG2 3.98Å; Y464-V468 HydrophobicContact CE1-CG2 3.52Å; Y464-V468 WeakPolarHBondContact O-CG2 3.47Å; Y464-V468 PolarHBondContact O-N 3.42Å; V465-V468 PolarHBondContact O-N 3.32Å; I466-V468 VanDerWaalsContact C-N 3.31Å; I466-V468 PolarHBondContact O-N 3.23Å |
| 469 | G | 86.2 | Confident | 83.8 | Confident | 21 Ų | 21 | 45.8 Ų | 45.8 | 22% | 0.216 | 27% | 0.267 | C | S | . | . | trans | 66.3 | -174.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | W328 V465 I466 Y478 | W328-G469 PolarHBondContact NE1-O 3.42Å; V465-G469 PolarHBondContact O-N 3.25Å; I466-G469 PolarHBondContact O-N 2.98Å; G469-Y478 WeakPolarHBondContact CA-OH 3.31Å | ||
| 470 | L | 83.6 | Confident | 83.3 | Confident | 78 Ų | 78 | 47.3 Ų | 47.3 | 41% | 0.408 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -78.5 | 146.9 | 172.9 | -71.3 | 173 | 0 | 0 | 0 | 108.7 | Y478 | L470-Y478 HydrophobicContact CB-CE1 4.44Å; L470-Y478 HydrophobicContact CD1-CD1 4.41Å; L470-Y478 HydrophobicContact CD1-CE1 3.8Å; L470-Y478 HydrophobicContact CG-CE1 4.06Å; L470-Y478 PolarHBondContact N-OH 3.34Å |
| 471 | P | 79.1 | Confident | 82.5 | Confident | 22 Ų | 22 | 50.8 Ų | 50.8 | 14% | 0.143 | 31% | 0.305 | C | S | . | . | trans | -67.4 | 125.8 | -179.9 | 29.8 | -35.6 | 0 | 0 | 0 | 109.3 | W328 N473 L474 | W328-P471 HydrophobicContact CD2-CB 3.53Å; W328-P471 HydrophobicContact CE3-CB 3.83Å; W328-P471 HydrophobicContact CG-CB 3.86Å; W328-P471 HydrophobicContact CH2-CB 4.36Å; W328-P471 HydrophobicContact CH2-CG 4.48Å; W328-P471 HydrophobicContact CZ2-CB 4.11Å; W328-P471 HydrophobicContact CZ2-CG 4.32Å; W328-P471 HydrophobicContact CZ3-CB 4.23Å; P471-N473 VanDerWaalsContact CB-OD1 3.25Å; P471-N473 WeakPolarHBondContact CB-OD1 3.46Å; P471-N473 PolarHBondContact O-N 2.85Å; P471-N473 VanDerWaalsContact O-N 3.14Å; P471-N473 PolarHBondContact O-OD1 3.45Å; P471-L474 HydrophobicContact CG-CD1 3.51Å; P471-L474 HydrophobicContact CG-CG 3.85Å; P471-L474 WeakPolarHBondContact O-CB 3.39Å; P471-L474 PolarHBondContact O-N 3.37Å | ||
| 472 | P | 71.4 | Confident | 82 | Confident | 24 Ų | 24 | 55.9 Ų | 55.9 | 16% | 0.156 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -64.6 | -22.3 | -170.1 | 24.1 | -33.8 | 0 | 0 | 0 | 113.1 | M323 L474 C475 Y495 | M323-P472 HydrophobicContact CB-CB 4.02Å; M323-P472 HydrophobicContact CB-CG 4.16Å; M323-P472 HydrophobicContact CG-CB 4.44Å; M323-P472 HydrophobicContact SD-CB 3.58Å; M323-P472 VanDerWaalsContact SD-CB 3.58Å; M323-P472 HydrophobicContact SD-CG 4.31Å; P472-L474 PolarHBondContact O-N 3.5Å; P472-C475 PolarHBondContact O-N 3.22Å; P472-Y495 HydrophobicContact CB-CD1 4.25Å; P472-Y495 HydrophobicContact CB-CE1 3.85Å |
| 473 | N | 68.3 | Low | 81.5 | Confident | 27 Ų | 27 | 58.4 Ų | 58.4 | 14% | 0.144 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -65.4 | -14.3 | 175.4 | 70.7 | -33.9 | 0 | 0 | 0 | 113.8 | A325 P471 C475 | A325-N473 HydrophobicContact CB-CB 4.04Å; A325-N473 WeakPolarHBondContact CB-ND2 3.27Å; P471-N473 VanDerWaalsContact CB-OD1 3.25Å; P471-N473 WeakPolarHBondContact CB-OD1 3.46Å; P471-N473 PolarHBondContact O-N 2.85Å; P471-N473 VanDerWaalsContact O-N 3.14Å; P471-N473 PolarHBondContact O-OD1 3.45Å; N473-C475 PolarHBondContact O-N 2.96Å |
| 474 | L | 73.8 | Confident | 80.7 | Confident | 91 Ų | 91 | 59.4 Ų | 59.4 | 48% | 0.476 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -71.6 | -9.8 | 171.2 | -68.5 | 174.1 | 0 | 0 | 0 | 112.5 | P471 P472 L476 | P471-L474 HydrophobicContact CG-CD1 3.51Å; P471-L474 HydrophobicContact CG-CG 3.85Å; P471-L474 WeakPolarHBondContact O-CB 3.39Å; P471-L474 PolarHBondContact O-N 3.37Å; P472-L474 PolarHBondContact O-N 3.5Å; L474-L476 HydrophobicContact CB-CB 4.45Å; L474-L476 HydrophobicContact CB-CD1 4.14Å; L474-L476 HydrophobicContact CB-CG 4.08Å; L474-L476 HydrophobicContact CD1-CD1 4.39Å; L474-L476 PolarHBondContact O-N 2.98Å |
| 475 | C | 71.4 | Confident | 80.1 | Confident | 53 Ų | 53 | 61 Ų | 61 | 36% | 0.358 | 34% | 0.343 | S | S | . | . | trans | 50.1 | 20.8 | -174.2 | -56 | 0 | 0 | 0 | 0 | 114.1 | C311 P472 N473 K477 | C311-C475 HydrophobicContact CB-CB 3.95Å; C311-C475 WeakPolarHBondContact CB-SG 3.25Å; C311-C475 VanDerWaalsContact SG-CA 3.52Å; C311-C475 WeakPolarHBondContact SG-CB 3.35Å; C311-C475 CovalentContact SG-SG 2.04Å; C311-C475 PolarHBondContact SG-SG 2.95Å; P472-C475 PolarHBondContact O-N 3.22Å; N473-C475 PolarHBondContact O-N 2.96Å; C475-K477 PolarHBondContact O-N 3.37Å | ||
| 476 | L | 75.6 | Confident | 79.8 | Confident | 99 Ų | 99 | 59.2 Ų | 59.2 | 52% | 0.518 | 33% | 0.331 | S | S | . | . | trans | -85.5 | 110.6 | 178.1 | -68.6 | 175.4 | 0 | 0 | 0 | 108.9 | L474 Y495 | L474-L476 HydrophobicContact CB-CB 4.45Å; L474-L476 HydrophobicContact CB-CD1 4.14Å; L474-L476 HydrophobicContact CB-CG 4.08Å; L474-L476 HydrophobicContact CD1-CD1 4.39Å; L474-L476 PolarHBondContact O-N 2.98Å; L476-Y495 WeakPolarHBondContact O-CE2 3.42Å; L476-Y495 PolarHBondContact O-OH 2.97Å | ||
| 477 | K | 73.1 | Confident | 79.6 | Confident | 144 Ų | 144 | 57.1 Ų | 57.1 | 63% | 0.626 | 32% | 0.32 | S | S | * | . | trans | -67.8 | 138.3 | 169.1 | -168.9 | 176.2 | 179.7 | 175.1 | 0 | 109.2 | M313 C475 | M313-K477 HydrophobicContact CE-CB 4.14Å; M313-K477 HydrophobicContact CE-CD 4.16Å; C475-K477 PolarHBondContact O-N 3.37Å | ||
| 478 | Y | 83.4 | Confident | 79.3 | Confident | 21 Ų | 21 | 58.1 Ų | 58.1 | 8% | 0.082 | 32% | 0.323 | C | S | . | . | trans | -61.4 | 144.2 | 172 | -73.5 | -68.9 | 0 | 0 | 0 | 111.3 | G469 L470 W480 P493 Y495 | G469-Y478 WeakPolarHBondContact CA-OH 3.31Å; L470-Y478 HydrophobicContact CB-CE1 4.44Å; L470-Y478 HydrophobicContact CD1-CD1 4.41Å; L470-Y478 HydrophobicContact CD1-CE1 3.8Å; L470-Y478 HydrophobicContact CG-CE1 4.06Å; L470-Y478 PolarHBondContact N-OH 3.34Å; Y478-W480 VanDerWaalsContact CB-CE2 3.48Å; Y478-W480 AromaticContact CD1-CH2 3.35Å; Y478-W480 HydrophobicContact CD1-CH2 3.35Å; Y478-W480 AromaticContact CD1-CZ2 3.18Å; Y478-W480 HydrophobicContact CD1-CZ2 3.18Å; Y478-W480 HydrophobicContact CD1-CZ3 4.29Å; Y478-W480 HydrophobicContact CD2-CZ2 4.25Å; Y478-W480 AromaticContact CE1-CH2 3.96Å; Y478-W480 HydrophobicContact CE1-CH2 3.96Å; Y478-W480 AromaticContact CE1-CZ2 3.85Å; Y478-W480 HydrophobicContact CE1-CZ2 3.85Å; Y478-W480 AromaticContact CG-CE2 3.83Å; Y478-W480 HydrophobicContact CG-CH2 4.01Å; Y478-W480 AromaticContact CG-CZ2 3.4Å; Y478-W480 HydrophobicContact CG-CZ2 3.4Å; Y478-W480 VanDerWaalsContact CG-CZ2 3.4Å; Y478-W480 PolarHBondContact O-N 3.49Å; Y478-W480 VanDerWaalsContact O-N 3.13Å; Y478-P493 HydrophobicContact CD1-CG 4.47Å; Y478-P493 WeakPolarHBondContact CD2-O 3.37Å; Y478-P493 HydrophobicContact CE1-CB 4.13Å; Y478-P493 HydrophobicContact CE1-CG 3.8Å; Y478-P493 HydrophobicContact CE2-CB 4.04Å; Y478-P493 WeakPolarHBondContact OH-CB 3.47Å; Y478-Y495 AromaticContact CD2-CD2 3.98Å; Y478-Y495 HydrophobicContact CD2-CD2 3.98Å; Y478-Y495 AromaticContact CD2-CE2 3.79Å; Y478-Y495 HydrophobicContact CD2-CE2 3.79Å; Y478-Y495 HydrophobicContact CE2-CD1 4.45Å; Y478-Y495 HydrophobicContact CE2-CD2 4.04Å; Y478-Y495 HydrophobicContact CE2-CE1 4.16Å; Y478-Y495 AromaticContact CE2-CE2 3.73Å; Y478-Y495 HydrophobicContact CE2-CE2 3.73Å; Y478-Y495 HydrophobicContact CE2-CG 4.4Å; Y478-Y495 AromaticContact CE2-CZ 3.8Å | ||
| 479 | P | 85.1 | Confident | 79.2 | Confident | 120 Ų | 120 | 58.9 Ų | 58.9 | 78% | 0.779 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -73.1 | -2.3 | -173.1 | 28.6 | -34.4 | 0 | 0 | 0 | 114.5 | ||
| 480 | W | 80.7 | Confident | 79.3 | Confident | 53 Ų | 53 | 59.8 Ų | 59.8 | 20% | 0.201 | 32% | 0.323 | C | S | . | . | trans | -100.6 | 107.1 | 178.7 | 44.3 | 85.2 | 0 | 0 | 0 | 112.1 | Y478 W482 L492 P493 | Y478-W480 VanDerWaalsContact CB-CE2 3.48Å; Y478-W480 AromaticContact CD1-CH2 3.35Å; Y478-W480 HydrophobicContact CD1-CH2 3.35Å; Y478-W480 AromaticContact CD1-CZ2 3.18Å; Y478-W480 HydrophobicContact CD1-CZ2 3.18Å; Y478-W480 HydrophobicContact CD1-CZ3 4.29Å; Y478-W480 HydrophobicContact CD2-CZ2 4.25Å; Y478-W480 AromaticContact CE1-CH2 3.96Å; Y478-W480 HydrophobicContact CE1-CH2 3.96Å; Y478-W480 AromaticContact CE1-CZ2 3.85Å; Y478-W480 HydrophobicContact CE1-CZ2 3.85Å; Y478-W480 AromaticContact CG-CE2 3.83Å; Y478-W480 HydrophobicContact CG-CH2 4.01Å; Y478-W480 AromaticContact CG-CZ2 3.4Å; Y478-W480 HydrophobicContact CG-CZ2 3.4Å; Y478-W480 VanDerWaalsContact CG-CZ2 3.4Å; Y478-W480 PolarHBondContact O-N 3.49Å; Y478-W480 VanDerWaalsContact O-N 3.13Å; W480-W482 HydrophobicContact CB-CD2 3.9Å; W480-W482 HydrophobicContact CB-CE3 4.03Å; W480-W482 HydrophobicContact CB-CG 4.29Å; W480-W482 HydrophobicContact CB-CZ2 4.47Å; W480-W482 HydrophobicContact CB-CZ3 4.37Å; W480-L492 HydrophobicContact CD2-CD1 4.09Å; W480-L492 HydrophobicContact CE3-CD1 4.47Å; W480-L492 HydrophobicContact CG-CD1 4.21Å; W480-L492 HydrophobicContact CH2-CD2 4.49Å; W480-L492 HydrophobicContact CZ2-CB 4.25Å; W480-P493 VanDerWaalsContact CE2-O 3.29Å; W480-P493 HydrophobicContact CH2-CG 4.06Å; W480-P493 VanDerWaalsContact CZ2-CD 3.5Å; W480-P493 HydrophobicContact CZ2-CG 3.7Å; W480-P493 WeakPolarHBondContact CZ2-O 3.28Å; W480-P493 PolarHBondContact NE1-O 3.37Å | ||
| 481 | G | 75 | Confident | 79.5 | Confident | 73 Ų | 73 | 56.3 Ų | 56.3 | 75% | 0.753 | 31% | 0.305 | S | S | * | . | trans | -96.1 | 42.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 482 | W | 81.6 | Confident | 80 | Confident | 143 Ų | 143 | 57.3 Ų | 57.3 | 54% | 0.542 | 31% | 0.309 | S | S | . | . | trans | -87.3 | 175.2 | -172.8 | -58.7 | -22.2 | 0 | 0 | 0 | 113.1 | W480 A484 L486 I487 L490 L492 | W480-W482 HydrophobicContact CB-CD2 3.9Å; W480-W482 HydrophobicContact CB-CE3 4.03Å; W480-W482 HydrophobicContact CB-CG 4.29Å; W480-W482 HydrophobicContact CB-CZ2 4.47Å; W480-W482 HydrophobicContact CB-CZ3 4.37Å; W482-A484 PolarHBondContact O-N 2.91Å; W482-L486 HydrophobicContact CB-CD2 4.14Å; W482-L486 HydrophobicContact CD2-CD2 4.15Å; W482-L486 HydrophobicContact CE3-CD2 3.88Å; W482-L486 HydrophobicContact CE3-CG 4.31Å; W482-L486 HydrophobicContact CG-CD2 4.3Å; W482-I487 HydrophobicContact CB-CD1 4.42Å; W482-I487 HydrophobicContact CB-CG1 4.17Å; W482-L490 HydrophobicContact CE3-CD1 3.97Å; W482-L490 HydrophobicContact CZ3-CD1 3.49Å; W482-L490 VanDerWaalsContact CZ3-CD1 3.49Å; W482-L492 HydrophobicContact CE3-CD1 4.26Å; W482-L492 HydrophobicContact CZ3-CD1 3.77Å | ||
| 483 | N | 80 | Confident | 80.7 | Confident | 85 Ų | 85 | 57 Ų | 57 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | trans | -56.7 | 133.4 | 170.9 | -171.5 | -22.7 | 0 | 0 | 0 | 109.9 | N485 L486 I487 | N483-N485 PolarHBondContact O-N 3.47Å; N483-N485 PolarHBondContact OD1-N 3.17Å; N483-L486 HydrophobicContact CB-CB 4.5Å; N483-L486 WeakPolarHBondContact O-CB 3.4Å; N483-L486 PolarHBondContact O-N 2.99Å; N483-I487 PolarHBondContact O-N 3.15Å | ||
| 484 | A | 76.8 | Confident | 81.3 | Confident | 20 Ų | 20 | 57.3 Ų | 57.3 | 17% | 0.165 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.1 | -34.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | W482 L486 I487 Q488 I678 | W482-A484 PolarHBondContact O-N 2.91Å; A484-L486 VanDerWaalsContact C-N 3.31Å; A484-L486 PolarHBondContact O-N 2.96Å; A484-I487 PolarHBondContact O-N 3.38Å; A484-Q488 WeakPolarHBondContact O-CG 3.44Å; A484-Q488 PolarHBondContact O-N 3.41Å; A484-I678 HydrophobicContact CB-CD1 3.46Å; A484-I678 VanDerWaalsContact CB-CD1 3.46Å |
| 485 | N | 78.6 | Confident | 81.5 | Confident | 37 Ų | 37 | 56.1 Ų | 56.1 | 20% | 0.198 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.2 | -32.6 | 175.6 | -66.6 | -12 | 0 | 0 | 0 | 112.8 | N483 W489 C652 | N483-N485 PolarHBondContact O-N 3.47Å; N483-N485 PolarHBondContact OD1-N 3.17Å; N485-W489 PolarHBondContact O-N 3.33Å; N485-W489 VanDerWaalsContact O-N 3.08Å; N485-C652 HydrophobicContact CB-CB 4.37Å; N485-C652 VanDerWaalsContact CB-O 3.32Å; N485-C652 WeakPolarHBondContact CB-O 3.25Å; N485-C652 PolarHBondContact ND2-O 2.73Å |
| 486 | L | 86 | Confident | 81.6 | Confident | 37 Ų | 37 | 57.2 Ų | 57.2 | 19% | 0.194 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -72.7 | -40.8 | 176.6 | -179.7 | 63.6 | 0 | 0 | 0 | 110.8 | W482 N483 A484 Q488 W489 L490 V653 | W482-L486 HydrophobicContact CB-CD2 4.14Å; W482-L486 HydrophobicContact CD2-CD2 4.15Å; W482-L486 HydrophobicContact CE3-CD2 3.88Å; W482-L486 HydrophobicContact CE3-CG 4.31Å; W482-L486 HydrophobicContact CG-CD2 4.3Å; N483-L486 HydrophobicContact CB-CB 4.5Å; N483-L486 WeakPolarHBondContact O-CB 3.4Å; N483-L486 PolarHBondContact O-N 2.99Å; A484-L486 VanDerWaalsContact C-N 3.31Å; A484-L486 PolarHBondContact O-N 2.96Å; L486-Q488 VanDerWaalsContact C-N 3.31Å; L486-Q488 PolarHBondContact O-N 2.88Å; L486-W489 PolarHBondContact O-N 2.96Å; L486-L490 HydrophobicContact CD1-CD1 4.01Å; L486-L490 HydrophobicContact CD1-CG 4.22Å; L486-L490 HydrophobicContact CG-CD1 3.96Å; L486-L490 WeakPolarHBondContact O-CB 3.47Å; L486-L490 WeakPolarHBondContact O-CG 3.36Å; L486-L490 PolarHBondContact O-N 3.48Å; L486-V653 HydrophobicContact CB-CG1 4.12Å; L486-V653 HydrophobicContact CB-CG2 3.71Å; L486-V653 HydrophobicContact CD1-CG2 3.93Å; L486-V653 HydrophobicContact CG-CG2 4.4Å |
| 487 | I | 85.1 | Confident | 81.6 | Confident | 10 Ų | 10 | 55.5 Ų | 55.5 | 5% | 0.051 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.6 | -44 | 176.6 | -63.5 | 171.6 | 0 | 0 | 0 | 109.9 | W482 N483 A484 F491 L492 D494 | W482-I487 HydrophobicContact CB-CD1 4.42Å; W482-I487 HydrophobicContact CB-CG1 4.17Å; N483-I487 PolarHBondContact O-N 3.15Å; A484-I487 PolarHBondContact O-N 3.38Å; I487-F491 PolarHBondContact O-N 3.14Å; I487-L492 HydrophobicContact CG2-CB 4.14Å; I487-L492 PolarHBondContact O-N 3.12Å; I487-D494 HydrophobicContact CG2-CB 4.12Å |
| 488 | Q | 82.2 | Confident | 81.9 | Confident | 42 Ų | 42 | 52.7 Ų | 52.7 | 20% | 0.196 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 175.8 | -72.5 | -165.3 | -26.4 | 0 | 0 | 112.9 | A484 L486 L490 F491 I678 | A484-Q488 WeakPolarHBondContact O-CG 3.44Å; A484-Q488 PolarHBondContact O-N 3.41Å; L486-Q488 VanDerWaalsContact C-N 3.31Å; L486-Q488 PolarHBondContact O-N 2.88Å; Q488-L490 PolarHBondContact O-N 3.03Å; Q488-F491 PolarHBondContact O-N 3.19Å; Q488-F491 VanDerWaalsContact O-N 3.12Å; Q488-I678 HydrophobicContact CG-CD1 3.99Å; Q488-I678 VanDerWaalsContact NE2-CG1 3.31Å |
| 489 | W | 85.8 | Confident | 81.9 | Confident | 36 Ų | 36 | 52.5 Ų | 52.5 | 14% | 0.136 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.7 | -36.1 | 179.7 | -175.7 | 85.4 | 0 | 0 | 0 | 113.4 | M423 D424 L425 N485 L486 F491 V649 | M423-W489 PolarHBondContact O-NE1 2.8Å; M423-W489 VanDerWaalsContact O-NE1 3.14Å; D424-W489 WeakPolarHBondContact CB-O 3.28Å; L425-W489 HydrophobicContact CB-CH2 4.33Å; L425-W489 HydrophobicContact CB-CZ3 4.26Å; L425-W489 HydrophobicContact CD1-CH2 4.07Å; L425-W489 HydrophobicContact CD1-CZ3 4.25Å; L425-W489 PolarHBondContact N-O 2.85Å; L425-W489 VanDerWaalsContact N-O 3.08Å; N485-W489 PolarHBondContact O-N 3.33Å; N485-W489 VanDerWaalsContact O-N 3.08Å; L486-W489 PolarHBondContact O-N 2.96Å; W489-F491 PolarHBondContact O-N 3.3Å; W489-V649 HydrophobicContact CD2-CG2 3.44Å; W489-V649 VanDerWaalsContact CD2-CG2 3.44Å; W489-V649 HydrophobicContact CE3-CG2 3.58Å; W489-V649 HydrophobicContact CG-CG2 4.25Å; W489-V649 HydrophobicContact CH2-CG2 3.31Å; W489-V649 HydrophobicContact CZ2-CG2 3.16Å; W489-V649 HydrophobicContact CZ3-CG2 3.5Å |
| 490 | L | 87.9 | Confident | 81.9 | Confident | 40 Ų | 40 | 48.7 Ų | 48.7 | 21% | 0.209 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -8.2 | 174.7 | -71.5 | 171.3 | 0 | 0 | 0 | 113.3 | L425 W482 L486 Q488 L492 | L425-L490 HydrophobicContact CD2-CD2 4.07Å; W482-L490 HydrophobicContact CE3-CD1 3.97Å; W482-L490 HydrophobicContact CZ3-CD1 3.49Å; W482-L490 VanDerWaalsContact CZ3-CD1 3.49Å; L486-L490 HydrophobicContact CD1-CD1 4.01Å; L486-L490 HydrophobicContact CD1-CG 4.22Å; L486-L490 HydrophobicContact CG-CD1 3.96Å; L486-L490 WeakPolarHBondContact O-CB 3.47Å; L486-L490 WeakPolarHBondContact O-CG 3.36Å; L486-L490 PolarHBondContact O-N 3.48Å; Q488-L490 PolarHBondContact O-N 3.03Å; L490-L492 VanDerWaalsContact C-N 3.27Å; L490-L492 HydrophobicContact CB-CD1 4.02Å; L490-L492 HydrophobicContact CB-CG 3.87Å; L490-L492 HydrophobicContact CD1-CD1 3.95Å; L490-L492 PolarHBondContact O-N 2.88Å |
| 491 | F | 89 | Confident | 82.2 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 41.4 | -175.9 | -156.3 | -97 | 0 | 0 | 0 | 112.1 | F426 Q463 I466 I487 Q488 W489 P499 F503 L504 | F426-F491 HydrophobicContact CD2-CB 4.05Å; F426-F491 HydrophobicContact CD2-CD1 4.24Å; F426-F491 HydrophobicContact CD2-CG 4.21Å; F426-F491 HydrophobicContact CE2-CB 3.87Å; F426-F491 AromaticContact CE2-CD1 3.72Å; F426-F491 HydrophobicContact CE2-CD1 3.72Å; F426-F491 HydrophobicContact CE2-CG 4.04Å; Q463-F491 HydrophobicContact CB-CE1 4.26Å; Q463-F491 HydrophobicContact CG-CE1 4.37Å; I466-F491 HydrophobicContact CG2-CD1 4.33Å; I466-F491 VanDerWaalsContact CG2-O 3.29Å; I466-F491 WeakPolarHBondContact CG2-O 3.44Å; I487-F491 PolarHBondContact O-N 3.14Å; Q488-F491 PolarHBondContact O-N 3.19Å; Q488-F491 VanDerWaalsContact O-N 3.12Å; W489-F491 PolarHBondContact O-N 3.3Å; F491-P499 HydrophobicContact CD1-CB 4.26Å; F491-P499 HydrophobicContact CD2-CB 3.93Å; F491-P499 HydrophobicContact CE1-CB 4.09Å; F491-P499 HydrophobicContact CE2-CB 3.72Å; F491-P499 HydrophobicContact CG-CB 4.19Å; F491-P499 HydrophobicContact CZ-CB 3.81Å; F491-F503 HydrophobicContact CE2-CD2 4.13Å; F491-L504 HydrophobicContact CE1-CD1 4.23Å; F491-L504 HydrophobicContact CZ-CD1 3.7Å |
| 492 | L | 88.2 | Confident | 82.7 | Confident | 43 Ų | 43 | 53.7 Ų | 53.7 | 23% | 0.225 | 26% | 0.263 | C | S | . | . | trans | -83.9 | 151.6 | 178.4 | -73 | 172.8 | 0 | 0 | 0 | 111.4 | W480 W482 I487 L490 | W480-L492 HydrophobicContact CD2-CD1 4.09Å; W480-L492 HydrophobicContact CE3-CD1 4.47Å; W480-L492 HydrophobicContact CG-CD1 4.21Å; W480-L492 HydrophobicContact CH2-CD2 4.49Å; W480-L492 HydrophobicContact CZ2-CB 4.25Å; W482-L492 HydrophobicContact CE3-CD1 4.26Å; W482-L492 HydrophobicContact CZ3-CD1 3.77Å; I487-L492 HydrophobicContact CG2-CB 4.14Å; I487-L492 PolarHBondContact O-N 3.12Å; L490-L492 VanDerWaalsContact C-N 3.27Å; L490-L492 HydrophobicContact CB-CD1 4.02Å; L490-L492 HydrophobicContact CB-CG 3.87Å; L490-L492 HydrophobicContact CD1-CD1 3.95Å; L490-L492 PolarHBondContact O-N 2.88Å | ||
| 493 | P | 87.5 | Confident | 83 | Confident | 16 Ų | 16 | 48 Ų | 48 | 10% | 0.104 | 24% | 0.242 | C | C | . | . | trans | -71.4 | 137.6 | 175.2 | 19.8 | -16.8 | 0 | 0 | 0 | 111.3 | I466 Y478 W480 | I466-P493 HydrophobicContact CG2-CB 4.45Å; I466-P493 HydrophobicContact CG2-CG 4.19Å; I466-P493 WeakPolarHBondContact O-CB 3.41Å; Y478-P493 HydrophobicContact CD1-CG 4.47Å; Y478-P493 WeakPolarHBondContact CD2-O 3.37Å; Y478-P493 HydrophobicContact CE1-CB 4.13Å; Y478-P493 HydrophobicContact CE1-CG 3.8Å; Y478-P493 HydrophobicContact CE2-CB 4.04Å; Y478-P493 WeakPolarHBondContact OH-CB 3.47Å; W480-P493 VanDerWaalsContact CE2-O 3.29Å; W480-P493 HydrophobicContact CH2-CG 4.06Å; W480-P493 VanDerWaalsContact CZ2-CD 3.5Å; W480-P493 HydrophobicContact CZ2-CG 3.7Å; W480-P493 WeakPolarHBondContact CZ2-O 3.28Å; W480-P493 PolarHBondContact NE1-O 3.37Å | ||
| 494 | D | 81 | Confident | 83.5 | Confident | 34 Ų | 34 | 44 Ų | 44 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | trans | -145 | 144.8 | 172.5 | -177.3 | 24.5 | 0 | 0 | 0 | 108.9 | I487 V496 H497 | I487-D494 HydrophobicContact CG2-CB 4.12Å; D494-V496 PolarHBondContact OD1-N 3.3Å; D494-H497 IonicContact OD2-CG 3.7Å; D494-H497 PolarHBondContact OD2-N 3.43Å; D494-H497 IonicContact OD2-ND1 3.84Å; D494-H497 PolarHBondContact OD2-ND1 2.84Å | ||
| 495 | Y | 77.1 | Confident | 84.1 | Confident | 66 Ų | 66 | 45.7 Ų | 45.7 | 26% | 0.259 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -75.8 | -28.5 | 176.9 | -61 | -66.2 | 0 | 0 | 0 | 111.5 | P472 L476 Y478 | P472-Y495 HydrophobicContact CB-CD1 4.25Å; P472-Y495 HydrophobicContact CB-CE1 3.85Å; L476-Y495 WeakPolarHBondContact O-CE2 3.42Å; L476-Y495 PolarHBondContact O-OH 2.97Å; Y478-Y495 AromaticContact CD2-CD2 3.98Å; Y478-Y495 HydrophobicContact CD2-CD2 3.98Å; Y478-Y495 AromaticContact CD2-CE2 3.79Å; Y478-Y495 HydrophobicContact CD2-CE2 3.79Å; Y478-Y495 HydrophobicContact CE2-CD1 4.45Å; Y478-Y495 HydrophobicContact CE2-CD2 4.04Å; Y478-Y495 HydrophobicContact CE2-CE1 4.16Å; Y478-Y495 AromaticContact CE2-CE2 3.73Å; Y478-Y495 HydrophobicContact CE2-CE2 3.73Å; Y478-Y495 HydrophobicContact CE2-CG 4.4Å; Y478-Y495 AromaticContact CE2-CZ 3.8Å |
| 496 | V | 74.2 | Confident | 84.7 | Confident | 77 Ų | 77 | 44.9 Ų | 44.9 | 47% | 0.467 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -87.2 | -49.6 | -178.5 | -172.4 | 0 | 0 | 0 | 0 | 111.4 | F315 D494 P498 | F315-V496 HydrophobicContact CD1-CG2 4.38Å; F315-V496 HydrophobicContact CE1-CG2 3.61Å; F315-V496 HydrophobicContact CZ-CG2 4.42Å; D494-V496 PolarHBondContact OD1-N 3.3Å; V496-P498 VanDerWaalsContact O-CD 3.27Å; V496-P498 WeakPolarHBondContact O-CD 3.38Å |
| 497 | H | 75.4 | Confident | 84.9 | Confident | 62 Ų | 62 | 43.1 Ų | 43.1 | 29% | 0.287 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -116.9 | 76.2 | -179 | -51.4 | 91.4 | 0 | 0 | 0 | 110.9 | D494 I678 | D494-H497 IonicContact OD2-CG 3.7Å; D494-H497 PolarHBondContact OD2-N 3.43Å; D494-H497 IonicContact OD2-ND1 3.84Å; D494-H497 PolarHBondContact OD2-ND1 2.84Å; H497-I678 HydrophobicContact CB-CD1 4.46Å |
| 498 | P | 78.6 | Confident | 85.3 | Confident | 85 Ų | 85 | 42.7 Ų | 42.7 | 55% | 0.552 | 21% | 0.214 | S | C | * | . | trans | -61.5 | 145.2 | -178.2 | 26 | -34.6 | 0 | 0 | 0 | 111.6 | V496 | V496-P498 VanDerWaalsContact O-CD 3.27Å; V496-P498 WeakPolarHBondContact O-CD 3.38Å | ||
| 499 | P | 84.1 | Confident | 85.8 | Confident | 17 Ų | 17 | 42.8 Ų | 42.8 | 11% | 0.11 | 22% | 0.219 | C | C | . | . | trans | -63.6 | 144.9 | 178.1 | 26.1 | -34.2 | 0 | 0 | 0 | 111.5 | C467 F491 V501 | C467-P499 HydrophobicContact CB-CG 4.47Å; F491-P499 HydrophobicContact CD1-CB 4.26Å; F491-P499 HydrophobicContact CD2-CB 3.93Å; F491-P499 HydrophobicContact CE1-CB 4.09Å; F491-P499 HydrophobicContact CE2-CB 3.72Å; F491-P499 HydrophobicContact CG-CB 4.19Å; F491-P499 HydrophobicContact CZ-CB 3.81Å; P499-V501 PolarHBondContact O-N 3.39Å; P499-V501 VanDerWaalsContact O-N 3.07Å | ||
| 500 | N | 84.5 | Confident | 86.2 | Confident | 41 Ų | 41 | 41.1 Ų | 41.1 | 22% | 0.219 | 21% | 0.212 | C | C | . | . | trans | -74.2 | 104.3 | -176.7 | -164.8 | -31.2 | 0 | 0 | 0 | 111.3 | R502 F503 D677 | N500-R502 PolarHBondContact O-N 3.11Å; N500-R502 WeakPolarHBondContact OD1-CB 3.47Å; N500-R502 PolarHBondContact OD1-N 3.33Å; N500-F503 HydrophobicContact CB-CD2 4.12Å; N500-F503 HydrophobicContact CB-CE2 3.82Å; N500-F503 HydrophobicContact CB-CZ 4.32Å; N500-F503 WeakPolarHBondContact O-CD2 3.45Å; N500-D677 PolarHBondContact ND2-OD2 3.19Å | ||
| 501 | V | 87.2 | Confident | 86.5 | Confident | 34 Ų | 34 | 39.2 Ų | 39.2 | 21% | 0.206 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -68.5 | -14.8 | -174.8 | -60.9 | 0 | 0 | 0 | 0 | 114.6 | I249 V252 C467 P499 F503 L504 | I249-V501 HydrophobicContact CG2-CB 4.43Å; I249-V501 HydrophobicContact CG2-CG2 4.07Å; V252-V501 HydrophobicContact CG2-CB 4.07Å; V252-V501 HydrophobicContact CG2-CG1 3.6Å; V252-V501 HydrophobicContact CG2-CG2 4Å; C467-V501 HydrophobicContact CB-CG1 3.66Å; P499-V501 PolarHBondContact O-N 3.39Å; P499-V501 VanDerWaalsContact O-N 3.07Å; V501-F503 PolarHBondContact O-N 3.25Å; V501-L504 PolarHBondContact O-N 3.14Å |
| 502 | R | 86.9 | Confident | 86.6 | Confident | 196 Ų | 196 | 40.5 Ų | 40.5 | 74% | 0.74 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -67.2 | -25.8 | -178 | -63.9 | 179.1 | -178.3 | 166.2 | 3 | 112.4 | N500 L504 L505 | N500-R502 PolarHBondContact O-N 3.11Å; N500-R502 WeakPolarHBondContact OD1-CB 3.47Å; N500-R502 PolarHBondContact OD1-N 3.33Å; R502-L504 VanDerWaalsContact C-N 3.25Å; R502-L504 PolarHBondContact O-N 3.21Å; R502-L505 VanDerWaalsContact O-CB 3.31Å; R502-L505 WeakPolarHBondContact O-CB 3.45Å; R502-L505 PolarHBondContact O-N 3.12Å |
| 503 | F | 87.9 | Confident | 86.8 | Confident | 24 Ų | 24 | 38.9 Ų | 38.9 | 11% | 0.105 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -60.8 | -33.7 | 177.2 | -63 | -34.9 | 0 | 0 | 0 | 113.1 | I421 R422 F491 N500 V501 L505 A506 D507 H675 | I421-F503 HydrophobicContact CG2-CD1 3.87Å; I421-F503 HydrophobicContact CG2-CE1 4.04Å; R422-F503 HydrophobicContact CG-CB 4.18Å; R422-F503 HydrophobicContact CG-CG 4.42Å; F491-F503 HydrophobicContact CE2-CD2 4.13Å; N500-F503 HydrophobicContact CB-CD2 4.12Å; N500-F503 HydrophobicContact CB-CE2 3.82Å; N500-F503 HydrophobicContact CB-CZ 4.32Å; N500-F503 WeakPolarHBondContact O-CD2 3.45Å; V501-F503 PolarHBondContact O-N 3.25Å; F503-L505 PolarHBondContact O-N 3.39Å; F503-A506 WeakPolarHBondContact O-CB 3.39Å; F503-A506 PolarHBondContact O-N 3.49Å; F503-D507 PolarHBondContact O-N 2.95Å; F503-H675 AromaticContact CE1-NE2 3.96Å; F503-H675 AromaticContact CZ-CD2 3.57Å; F503-H675 AromaticContact CZ-NE2 3.37Å; F503-H675 WeakPolarHBondContact CZ-NE2 3.4Å |
| 504 | L | 89.8 | Confident | 87.1 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.1 | -22.7 | 178.9 | -82.5 | 70.2 | 0 | 0 | 0 | 112.8 | F245 I249 Q463 Y464 F491 V501 R502 A506 D507 F508 | F245-L504 HydrophobicContact CE1-CB 4.28Å; F245-L504 VanDerWaalsContact CE1-O 3.24Å; F245-L504 WeakPolarHBondContact CE1-O 3.38Å; F245-L504 HydrophobicContact CZ-CB 4.05Å; I249-L504 HydrophobicContact CD1-CB 4.13Å; I249-L504 HydrophobicContact CG1-CB 4.43Å; Q463-L504 HydrophobicContact CB-CD1 4.3Å; Q463-L504 HydrophobicContact CB-CD2 4.22Å; Q463-L504 HydrophobicContact CB-CG 4.24Å; Y464-L504 HydrophobicContact CD2-CD2 4.19Å; F491-L504 HydrophobicContact CE1-CD1 4.23Å; F491-L504 HydrophobicContact CZ-CD1 3.7Å; V501-L504 PolarHBondContact O-N 3.14Å; R502-L504 VanDerWaalsContact C-N 3.25Å; R502-L504 PolarHBondContact O-N 3.21Å; L504-A506 VanDerWaalsContact C-N 3.32Å; L504-D507 PolarHBondContact O-N 3Å; L504-F508 WeakPolarHBondContact O-CB 3.38Å; L504-F508 PolarHBondContact O-N 3.46Å |
| 505 | L | 90 | Very high | 87.6 | Confident | 56 Ų | 56 | 37.1 Ų | 37.1 | 29% | 0.293 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.9 | -37.6 | 175.7 | -167.3 | 68.2 | 0 | 0 | 0 | 111.9 | F242 I249 R502 F503 F508 C509 | F242-L505 HydrophobicContact CE2-CD1 3.61Å; F242-L505 HydrophobicContact CE2-CG 4.27Å; F242-L505 HydrophobicContact CZ-CD1 3.68Å; F242-L505 HydrophobicContact CZ-CD2 4.45Å; F242-L505 HydrophobicContact CZ-CG 4.36Å; I249-L505 HydrophobicContact CD1-CB 4.04Å; I249-L505 HydrophobicContact CD1-CD1 4.09Å; R502-L505 VanDerWaalsContact O-CB 3.31Å; R502-L505 WeakPolarHBondContact O-CB 3.45Å; R502-L505 PolarHBondContact O-N 3.12Å; F503-L505 PolarHBondContact O-N 3.39Å; L505-F508 PolarHBondContact O-N 2.84Å; L505-C509 PolarHBondContact O-N 3.44Å; L505-C509 PolarHBondContact O-SG 3.15Å |
| 506 | A | 89.7 | Confident | 88.2 | Confident | 20 Ų | 20 | 35 Ų | 35 | 17% | 0.165 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.3 | -45.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | D418 F503 L504 F508 C509 L510 | D418-A506 HydrophobicContact CB-CB 4.5Å; D418-A506 WeakPolarHBondContact OD1-CB 3.41Å; F503-A506 WeakPolarHBondContact O-CB 3.39Å; F503-A506 PolarHBondContact O-N 3.49Å; L504-A506 VanDerWaalsContact C-N 3.32Å; A506-F508 VanDerWaalsContact C-N 3.28Å; A506-F508 PolarHBondContact O-N 3.27Å; A506-C509 WeakPolarHBondContact O-CA 3.37Å; A506-C509 WeakPolarHBondContact O-CB 3.42Å; A506-C509 PolarHBondContact O-N 3.22Å; A506-L510 PolarHBondContact O-N 3.48Å |
| 507 | D | 92.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.5 | -41.3 | 173.1 | -61.9 | 34.5 | 0 | 0 | 0 | 112 | R422 Y430 I460 Q463 F503 L504 L510 F511 | R422-D507 WeakPolarHBondContact CD-OD1 3.47Å; R422-D507 IonicContact CZ-OD1 3.17Å; R422-D507 IonicContact CZ-OD2 2.73Å; R422-D507 IonicContact NE-OD1 2.67Å; R422-D507 IonicContact NH1-OD1 3.43Å; R422-D507 PolarHBondContact NH1-OD1 3.13Å; R422-D507 IonicContact NH1-OD2 3.86Å; R422-D507 PolarHBondContact NH1-OD2 3.34Å; Y430-D507 PolarHBondContact OH-OD2 3Å; I460-D507 HydrophobicContact CD1-CB 4.17Å; I460-D507 HydrophobicContact CG1-CB 3.87Å; Q463-D507 VanDerWaalsContact CD-OD2 3.26Å; Q463-D507 PolarHBondContact NE2-OD2 3.38Å; Q463-D507 PolarHBondContact OE1-OD2 3.36Å; F503-D507 PolarHBondContact O-N 2.95Å; L504-D507 PolarHBondContact O-N 3Å; D507-L510 WeakPolarHBondContact O-CB 3.24Å; D507-L510 PolarHBondContact O-N 2.86Å; D507-F511 WeakPolarHBondContact O-CB 3.34Å; D507-F511 PolarHBondContact O-N 3.23Å |
| 508 | F | 92.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.6 | -34.9 | 177 | -176.9 | -91.3 | 0 | 0 | 0 | 112.5 | A241 F242 F245 A263 L267 L504 L505 A506 L510 F511 L512 | A241-F508 HydrophobicContact CB-CZ 4.29Å; F242-F508 VanDerWaalsContact CA-CE1 3.43Å; F242-F508 HydrophobicContact CB-CE1 3.91Å; F242-F508 AromaticContact CD2-CD1 3.92Å; F242-F508 HydrophobicContact CD2-CD1 3.92Å; F242-F508 AromaticContact CD2-CE1 3.96Å; F242-F508 HydrophobicContact CD2-CE1 3.96Å; F242-F508 HydrophobicContact CG-CE1 4.38Å; F245-F508 HydrophobicContact CB-CD1 4.28Å; F245-F508 HydrophobicContact CB-CD2 3.85Å; F245-F508 HydrophobicContact CB-CE1 4.24Å; F245-F508 HydrophobicContact CB-CE2 3.77Å; F245-F508 HydrophobicContact CB-CG 4.1Å; F245-F508 HydrophobicContact CB-CZ 3.97Å; F245-F508 HydrophobicContact CD1-CB 3.44Å; F245-F508 VanDerWaalsContact CD1-CB 3.44Å; F245-F508 HydrophobicContact CD1-CD1 4Å; F245-F508 AromaticContact CD1-CD2 3.71Å; F245-F508 HydrophobicContact CD1-CD2 3.71Å; F245-F508 HydrophobicContact CD1-CE2 4.48Å; F245-F508 AromaticContact CD1-CG 3.41Å; F245-F508 HydrophobicContact CD1-CG 3.41Å; F245-F508 VanDerWaalsContact CD1-CG 3.41Å; F245-F508 HydrophobicContact CD2-CB 4.49Å; F245-F508 AromaticContact CD2-CD2 3.51Å; F245-F508 HydrophobicContact CD2-CD2 3.51Å; F245-F508 AromaticContact CD2-CE2 3.98Å; F245-F508 HydrophobicContact CD2-CE2 3.98Å; F245-F508 HydrophobicContact CD2-CG 4.13Å; F245-F508 HydrophobicContact CE1-CB 3.23Å; F245-F508 HydrophobicContact CE1-CD2 4.07Å; F245-F508 AromaticContact CE1-CG 3.75Å; F245-F508 HydrophobicContact CE1-CG 3.75Å; F245-F508 HydrophobicContact CE2-CB 4.36Å; F245-F508 AromaticContact CE2-CD2 3.93Å; F245-F508 HydrophobicContact CE2-CD2 3.93Å; F245-F508 HydrophobicContact CE2-CG 4.44Å; F245-F508 HydrophobicContact CG-CB 4.08Å; F245-F508 HydrophobicContact CG-CD1 4.22Å; F245-F508 AromaticContact CG-CD2 3.4Å; F245-F508 HydrophobicContact CG-CD2 3.4Å; F245-F508 AromaticContact CG-CE2 3.84Å; F245-F508 HydrophobicContact CG-CE2 3.84Å; F245-F508 AromaticContact CG-CG 3.61Å; F245-F508 HydrophobicContact CG-CG 3.61Å; F245-F508 HydrophobicContact CG-CZ 4.42Å; F245-F508 HydrophobicContact CZ-CB 3.75Å; F245-F508 HydrophobicContact CZ-CD2 4.19Å; F245-F508 HydrophobicContact CZ-CG 4.27Å; A263-F508 HydrophobicContact CB-CE2 3.81Å; A263-F508 HydrophobicContact CB-CZ 4.23Å; L267-F508 HydrophobicContact CD1-CE2 4.09Å; L267-F508 HydrophobicContact CD1-CZ 3.73Å; L504-F508 WeakPolarHBondContact O-CB 3.38Å; L504-F508 PolarHBondContact O-N 3.46Å; L505-F508 PolarHBondContact O-N 2.84Å; A506-F508 VanDerWaalsContact C-N 3.28Å; A506-F508 PolarHBondContact O-N 3.27Å; F508-L510 VanDerWaalsContact C-N 3.34Å; F508-F511 PolarHBondContact O-N 3.27Å; F508-L512 HydrophobicContact CE1-CB 4.49Å; F508-L512 VanDerWaalsContact O-CB 3.31Å; F508-L512 WeakPolarHBondContact O-CB 3.16Å; F508-L512 PolarHBondContact O-N 3.13Å |
| 509 | C | 92.3 | Very high | 90.3 | Very high | 45 Ų | 45 | 28.4 Ų | 28.4 | 30% | 0.304 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -65.2 | -40.2 | 172.7 | -68.2 | 0 | 0 | 0 | 0 | 111.3 | L505 A506 L512 A513 | L505-C509 PolarHBondContact O-N 3.44Å; L505-C509 PolarHBondContact O-SG 3.15Å; A506-C509 WeakPolarHBondContact O-CA 3.37Å; A506-C509 WeakPolarHBondContact O-CB 3.42Å; A506-C509 PolarHBondContact O-N 3.22Å; C509-L512 PolarHBondContact O-N 2.59Å; C509-A513 WeakPolarHBondContact O-CB 3.29Å; C509-A513 PolarHBondContact O-N 2.83Å |
| 510 | L | 93.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.3 | -47.1 | 171.5 | 175.9 | 60.4 | 0 | 0 | 0 | 111 | V411 I414 M415 L456 A506 D507 F508 L512 A513 A514 | V411-L510 HydrophobicContact CG1-CD1 3.95Å; I414-L510 HydrophobicContact CG2-CB 4.07Å; I414-L510 HydrophobicContact CG2-CD1 4.26Å; M415-L510 HydrophobicContact CB-CD1 3.73Å; M415-L510 HydrophobicContact CB-CD2 4.28Å; M415-L510 HydrophobicContact CG-CD1 4.19Å; M415-L510 HydrophobicContact CG-CD2 3.93Å; L456-L510 HydrophobicContact CD1-CD2 4.39Å; L456-L510 HydrophobicContact CD1-CG 4.13Å; L456-L510 HydrophobicContact CD2-CD2 4.03Å; A506-L510 PolarHBondContact O-N 3.48Å; D507-L510 WeakPolarHBondContact O-CB 3.24Å; D507-L510 PolarHBondContact O-N 2.86Å; F508-L510 VanDerWaalsContact C-N 3.34Å; L510-L512 PolarHBondContact O-N 3.28Å; L510-A513 PolarHBondContact O-N 3.34Å; L510-A514 VanDerWaalsContact O-CB 3.27Å; L510-A514 WeakPolarHBondContact O-CB 3.49Å; L510-A514 PolarHBondContact O-N 2.97Å |
| 511 | F | 94.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 176.6 | -177.7 | -94 | 0 | 0 | 0 | 113 | I264 L267 T268 I453 L456 A457 I460 D507 F508 A514 S515 | I264-F511 HydrophobicContact CB-CE1 4.15Å; I264-F511 HydrophobicContact CB-CZ 4.17Å; I264-F511 HydrophobicContact CG1-CD1 4.32Å; I264-F511 HydrophobicContact CG1-CE1 3.93Å; I264-F511 HydrophobicContact CG1-CZ 4.11Å; I264-F511 HydrophobicContact CG2-CE1 4.13Å; I264-F511 HydrophobicContact CG2-CE2 4.31Å; I264-F511 HydrophobicContact CG2-CZ 3.64Å; L267-F511 HydrophobicContact CB-CE1 4.13Å; L267-F511 HydrophobicContact CD1-CD1 3.93Å; L267-F511 HydrophobicContact CD1-CE1 3.92Å; T268-F511 HydrophobicContact CG2-CZ 3.78Å; I453-F511 HydrophobicContact CG2-CE2 3.83Å; I453-F511 HydrophobicContact CG2-CZ 4.29Å; L456-F511 HydrophobicContact CB-CD2 3.92Å; A457-F511 HydrophobicContact CB-CE2 3.91Å; A457-F511 HydrophobicContact CB-CZ 4.49Å; I460-F511 HydrophobicContact CD1-CB 3.6Å; I460-F511 HydrophobicContact CD1-CD2 4.31Å; I460-F511 HydrophobicContact CD1-CG 4.05Å; D507-F511 WeakPolarHBondContact O-CB 3.34Å; D507-F511 PolarHBondContact O-N 3.23Å; F508-F511 PolarHBondContact O-N 3.27Å; F511-A514 PolarHBondContact O-N 3.34Å; F511-S515 WeakPolarHBondContact O-CB 3.25Å; F511-S515 PolarHBondContact O-N 3.5Å; F511-S515 PolarHBondContact O-OG 3.49Å |
| 512 | L | 92.1 | Very high | 90.9 | Very high | 34 Ų | 34 | 29.5 Ų | 29.5 | 18% | 0.178 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62 | -44.1 | 176.6 | 178.9 | 68.2 | 0 | 0 | 0 | 111.4 | K238 L267 F508 C509 L510 S515 C516 | K238-L512 HydrophobicContact CB-CD1 4.06Å; K238-L512 HydrophobicContact CG-CD1 4.25Å; L267-L512 HydrophobicContact CD1-CB 4.45Å; L267-L512 HydrophobicContact CD1-CD1 3.68Å; L267-L512 HydrophobicContact CD2-CD1 3.49Å; L267-L512 VanDerWaalsContact CD2-CD1 3.49Å; L267-L512 HydrophobicContact CG-CD1 4.24Å; F508-L512 HydrophobicContact CE1-CB 4.49Å; F508-L512 VanDerWaalsContact O-CB 3.31Å; F508-L512 WeakPolarHBondContact O-CB 3.16Å; F508-L512 PolarHBondContact O-N 3.13Å; C509-L512 PolarHBondContact O-N 2.59Å; L510-L512 PolarHBondContact O-N 3.28Å; L512-S515 WeakPolarHBondContact CA-OG 3.42Å; L512-S515 PolarHBondContact O-OG 3.19Å; L512-C516 PolarHBondContact O-N 2.79Å; L512-C516 VanDerWaalsContact O-N 3.15Å; L512-C516 PolarHBondContact O-SG 3.33Å |
| 513 | A | 92.7 | Very high | 90.9 | Very high | 9 Ų | 9 | 21.2 Ų | 21.2 | 7% | 0.074 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.5 | -43.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F403 V411 I414 C509 L510 S515 C516 Q517 | F403-A513 WeakPolarHBondContact CZ-O 3.32Å; V411-A513 HydrophobicContact CG2-CB 3.8Å; I414-A513 HydrophobicContact CD1-CB 3.64Å; C509-A513 WeakPolarHBondContact O-CB 3.29Å; C509-A513 PolarHBondContact O-N 2.83Å; L510-A513 PolarHBondContact O-N 3.34Å; A513-S515 PolarHBondContact O-N 3.05Å; A513-C516 WeakPolarHBondContact O-CB 3.32Å; A513-C516 PolarHBondContact O-N 3.07Å; A513-Q517 PolarHBondContact O-N 3.25Å |
| 514 | A | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.6 | -41.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | V411 W449 F452 I453 L456 L510 F511 Q517 L518 | V411-A514 HydrophobicContact CG1-CB 4.3Å; W449-A514 HydrophobicContact CZ2-CB 4.09Å; W449-A514 PolarHBondContact NE1-O 2.97Å; F452-A514 HydrophobicContact CD1-CB 4.44Å; F452-A514 HydrophobicContact CE1-CB 3.88Å; I453-A514 HydrophobicContact CG1-CB 4.28Å; L456-A514 HydrophobicContact CD1-CB 4.18Å; L510-A514 VanDerWaalsContact O-CB 3.27Å; L510-A514 WeakPolarHBondContact O-CB 3.49Å; L510-A514 PolarHBondContact O-N 2.97Å; F511-A514 PolarHBondContact O-N 3.34Å; A514-Q517 PolarHBondContact O-N 3.17Å; A514-Q517 VanDerWaalsContact O-N 3.17Å; A514-L518 PolarHBondContact O-N 3.48Å |
| 515 | S | 91.4 | Very high | 90.6 | Very high | 12 Ų | 12 | 30.2 Ų | 30.2 | 8% | 0.084 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.4 | -36.7 | 175.2 | 58.6 | 0 | 0 | 0 | 0 | 112.5 | F511 L512 A513 Q517 L518 Y519 | F511-S515 WeakPolarHBondContact O-CB 3.25Å; F511-S515 PolarHBondContact O-N 3.5Å; F511-S515 PolarHBondContact O-OG 3.49Å; L512-S515 WeakPolarHBondContact CA-OG 3.42Å; L512-S515 PolarHBondContact O-OG 3.19Å; A513-S515 PolarHBondContact O-N 3.05Å; S515-Q517 VanDerWaalsContact C-N 3.32Å; S515-Q517 PolarHBondContact O-N 3.39Å; S515-L518 WeakPolarHBondContact O-CB 3.28Å; S515-L518 PolarHBondContact O-N 3.25Å; S515-Y519 PolarHBondContact O-N 3.38Å |
| 516 | C | 89.8 | Confident | 90.4 | Very high | 21 Ų | 21 | 32.2 Ų | 32.2 | 14% | 0.142 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63 | -39.3 | 170.2 | -68.6 | 0 | 0 | 0 | 0 | 111.6 | K238 F403 L512 A513 L518 Y519 V520 | K238-C516 PolarHBondContact NZ-SG 2.79Å; K238-C516 VanDerWaalsContact NZ-SG 3.43Å; F403-C516 HydrophobicContact CD1-CB 4.13Å; F403-C516 HydrophobicContact CE1-CB 3.39Å; F403-C516 HydrophobicContact CZ-CB 3.73Å; L512-C516 PolarHBondContact O-N 2.79Å; L512-C516 VanDerWaalsContact O-N 3.15Å; L512-C516 PolarHBondContact O-SG 3.33Å; A513-C516 WeakPolarHBondContact O-CB 3.32Å; A513-C516 PolarHBondContact O-N 3.07Å; C516-L518 VanDerWaalsContact C-N 3.35Å; C516-Y519 WeakPolarHBondContact O-CB 3.37Å; C516-Y519 PolarHBondContact O-N 3.44Å; C516-V520 PolarHBondContact O-N 3.18Å |
| 517 | Q | 92.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.6 | -31.9 | 178.4 | -180 | 53.9 | 31.1 | 0 | 0 | 112.3 | F403 G407 V408 V411 W449 A513 A514 S515 Y519 V520 F521 | F403-Q517 HydrophobicContact CE1-CB 4.29Å; F403-Q517 HydrophobicContact CZ-CB 4.44Å; G407-Q517 VanDerWaalsContact C-OE1 3.29Å; G407-Q517 VanDerWaalsContact CA-OE1 3.23Å; V408-Q517 HydrophobicContact CG2-CG 4.03Å; V411-Q517 HydrophobicContact CG2-CB 4.09Å; W449-Q517 HydrophobicContact CH2-CG 4.32Å; W449-Q517 HydrophobicContact CZ2-CB 3.82Å; W449-Q517 HydrophobicContact CZ2-CG 3.67Å; A513-Q517 PolarHBondContact O-N 3.25Å; A514-Q517 PolarHBondContact O-N 3.17Å; A514-Q517 VanDerWaalsContact O-N 3.17Å; S515-Q517 VanDerWaalsContact C-N 3.32Å; S515-Q517 PolarHBondContact O-N 3.39Å; Q517-Y519 VanDerWaalsContact C-N 3.29Å; Q517-Y519 PolarHBondContact O-N 2.98Å; Q517-V520 WeakPolarHBondContact O-CB 3.43Å; Q517-V520 PolarHBondContact O-N 2.83Å; Q517-V520 VanDerWaalsContact O-N 3.16Å; Q517-F521 HydrophobicContact CG-CD2 4.1Å; Q517-F521 HydrophobicContact CG-CE2 3.75Å; Q517-F521 HydrophobicContact CG-CZ 4.24Å; Q517-F521 VanDerWaalsContact NE2-CE1 3.32Å; Q517-F521 VanDerWaalsContact NE2-CZ 3.28Å; Q517-F521 PolarHBondContact O-N 3.05Å |
| 518 | L | 91.3 | Very high | 89.1 | Confident | 18 Ų | 18 | 40.7 Ų | 40.7 | 9% | 0.094 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.4 | -40.6 | 171.7 | -178.6 | 66 | 0 | 0 | 0 | 111.8 | Y450 I453 A514 S515 C516 V520 F521 R522 | Y450-L518 HydrophobicContact CD1-CD1 3.93Å; Y450-L518 HydrophobicContact CD2-CD1 4.41Å; Y450-L518 HydrophobicContact CE1-CD1 3.63Å; Y450-L518 HydrophobicContact CE1-CD2 4.37Å; Y450-L518 HydrophobicContact CE1-CG 4.48Å; Y450-L518 HydrophobicContact CE2-CD1 4.12Å; Y450-L518 HydrophobicContact CG-CD1 4.31Å; I453-L518 HydrophobicContact CD1-CB 3.5Å; I453-L518 HydrophobicContact CD1-CD1 4.33Å; I453-L518 HydrophobicContact CD1-CD2 3.67Å; I453-L518 HydrophobicContact CD1-CG 4.01Å; A514-L518 PolarHBondContact O-N 3.48Å; S515-L518 WeakPolarHBondContact O-CB 3.28Å; S515-L518 PolarHBondContact O-N 3.25Å; C516-L518 VanDerWaalsContact C-N 3.35Å; L518-V520 VanDerWaalsContact C-N 3.32Å; L518-V520 PolarHBondContact O-N 2.93Å; L518-F521 PolarHBondContact O-N 2.83Å; L518-R522 PolarHBondContact O-N 2.93Å |
| 519 | Y | 88 | Confident | 87.9 | Confident | 69 Ų | 69 | 44.6 Ų | 44.6 | 27% | 0.271 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.7 | -40.4 | 175.1 | 178.4 | -103.7 | 0 | 0 | 0 | 111.5 | E375 S515 C516 Q517 R522 I523 | E375-Y519 PolarHBondContact OE2-OH 3.02Å; S515-Y519 PolarHBondContact O-N 3.38Å; C516-Y519 WeakPolarHBondContact O-CB 3.37Å; C516-Y519 PolarHBondContact O-N 3.44Å; Q517-Y519 VanDerWaalsContact C-N 3.29Å; Q517-Y519 PolarHBondContact O-N 2.98Å; Y519-R522 WeakPolarHBondContact O-CB 3.41Å; Y519-R522 PolarHBondContact O-N 3.3Å; Y519-I523 HydrophobicContact CD1-CD1 3.8Å; Y519-I523 HydrophobicContact CE1-CD1 3.31Å; Y519-I523 HydrophobicContact CE1-CG1 4.29Å; Y519-I523 HydrophobicContact CE2-CD1 4.5Å; Y519-I523 WeakPolarHBondContact O-CG1 3.41Å; Y519-I523 PolarHBondContact O-N 3.5Å |
| 520 | V | 89.6 | Confident | 87 | Confident | 7 Ų | 7 | 52 Ų | 52 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.5 | -47.1 | 174.1 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | F403 Y404 C516 Q517 L518 R522 I523 E524 | F403-V520 HydrophobicContact CD1-CG2 4.17Å; F403-V520 HydrophobicContact CE1-CG2 4.45Å; Y404-V520 HydrophobicContact CD2-CG1 3.76Å; Y404-V520 HydrophobicContact CD2-CG2 4.49Å; Y404-V520 HydrophobicContact CE2-CG1 4.23Å; Y404-V520 HydrophobicContact CG-CG1 4.48Å; C516-V520 PolarHBondContact O-N 3.18Å; Q517-V520 WeakPolarHBondContact O-CB 3.43Å; Q517-V520 PolarHBondContact O-N 2.83Å; Q517-V520 VanDerWaalsContact O-N 3.16Å; L518-V520 VanDerWaalsContact C-N 3.32Å; L518-V520 PolarHBondContact O-N 2.93Å; V520-R522 VanDerWaalsContact C-N 3.25Å; V520-R522 PolarHBondContact O-N 3.2Å; V520-I523 WeakPolarHBondContact O-CB 3.5Å; V520-I523 PolarHBondContact O-N 2.73Å; V520-I523 VanDerWaalsContact O-N 3.1Å; V520-E524 HydrophobicContact CG1-CG 4.48Å; V520-E524 WeakPolarHBondContact CG1-OE1 3.45Å; V520-E524 WeakPolarHBondContact O-CG 3.44Å; V520-E524 PolarHBondContact O-N 2.88Å |
| 521 | F | 91.1 | Very high | 85.9 | Confident | 8 Ų | 8 | 60.1 Ų | 60.1 | 4% | 0.035 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.6 | -32.8 | 176.1 | -74.2 | -42.7 | 0 | 0 | 0 | 113.1 | V408 R442 L445 A446 W449 Q517 L518 R525 | V408-F521 HydrophobicContact CG2-CE1 4.07Å; V408-F521 HydrophobicContact CG2-CE2 4.34Å; V408-F521 HydrophobicContact CG2-CZ 3.52Å; R442-F521 HydrophobicContact CG-CE1 4.08Å; L445-F521 HydrophobicContact CD2-CZ 4.18Å; L445-F521 HydrophobicContact CG-CZ 4.29Å; A446-F521 HydrophobicContact CB-CB 4.15Å; A446-F521 HydrophobicContact CB-CD1 3.76Å; A446-F521 HydrophobicContact CB-CD2 4.2Å; A446-F521 HydrophobicContact CB-CE1 4.14Å; A446-F521 HydrophobicContact CB-CG 3.8Å; W449-F521 HydrophobicContact CB-CD2 4.14Å; W449-F521 HydrophobicContact CB-CE2 4.17Å; W449-F521 HydrophobicContact CD2-CD2 4.25Å; W449-F521 AromaticContact CD2-CE2 3.71Å; W449-F521 HydrophobicContact CD2-CE2 3.71Å; W449-F521 AromaticContact CE3-CE2 3.96Å; W449-F521 HydrophobicContact CE3-CE2 3.96Å; W449-F521 AromaticContact CG-CD2 3.89Å; W449-F521 HydrophobicContact CG-CD2 3.89Å; W449-F521 AromaticContact CG-CE2 3.81Å; W449-F521 HydrophobicContact CG-CE2 3.81Å; Q517-F521 HydrophobicContact CG-CD2 4.1Å; Q517-F521 HydrophobicContact CG-CE2 3.75Å; Q517-F521 HydrophobicContact CG-CZ 4.24Å; Q517-F521 VanDerWaalsContact NE2-CE1 3.32Å; Q517-F521 VanDerWaalsContact NE2-CZ 3.28Å; Q517-F521 PolarHBondContact O-N 3.05Å; L518-F521 PolarHBondContact O-N 2.83Å; F521-R525 WeakPolarHBondContact O-CB 3.45Å; F521-R525 PolarHBondContact O-N 3.09Å |
| 522 | R | 88.3 | Confident | 85.3 | Confident | 99 Ų | 99 | 62.6 Ų | 62.6 | 37% | 0.374 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 172.7 | -169.5 | -178 | -65.9 | 177.5 | 0.5 | 111.5 | L518 Y519 V520 R525 V526 | L518-R522 PolarHBondContact O-N 2.93Å; Y519-R522 WeakPolarHBondContact O-CB 3.41Å; Y519-R522 PolarHBondContact O-N 3.3Å; V520-R522 VanDerWaalsContact C-N 3.25Å; V520-R522 PolarHBondContact O-N 3.2Å; R522-R525 PolarHBondContact O-N 3.44Å; R522-V526 VanDerWaalsContact O-CG2 3.32Å; R522-V526 WeakPolarHBondContact O-CG2 3.4Å; R522-V526 PolarHBondContact O-N 3.35Å |
| 523 | I | 86.1 | Confident | 84.8 | Confident | 22 Ų | 22 | 64.8 Ų | 64.8 | 11% | 0.113 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 175.7 | -69.1 | 171.6 | 0 | 0 | 0 | 110.7 | Y404 Y519 V520 R525 V526 H527 Y532 | Y404-I523 HydrophobicContact CE2-CG2 3.99Å; Y519-I523 HydrophobicContact CD1-CD1 3.8Å; Y519-I523 HydrophobicContact CE1-CD1 3.31Å; Y519-I523 HydrophobicContact CE1-CG1 4.29Å; Y519-I523 HydrophobicContact CE2-CD1 4.5Å; Y519-I523 WeakPolarHBondContact O-CG1 3.41Å; Y519-I523 PolarHBondContact O-N 3.5Å; V520-I523 WeakPolarHBondContact O-CB 3.5Å; V520-I523 PolarHBondContact O-N 2.73Å; V520-I523 VanDerWaalsContact O-N 3.1Å; I523-R525 VanDerWaalsContact C-N 3.31Å; I523-R525 PolarHBondContact O-N 3.39Å; I523-V526 PolarHBondContact O-N 3.01Å; I523-H527 PolarHBondContact O-N 3.3Å; I523-H527 PolarHBondContact O-ND1 2.89Å; I523-Y532 HydrophobicContact CG2-CD2 4.23Å; I523-Y532 HydrophobicContact CG2-CE1 4.11Å; I523-Y532 HydrophobicContact CG2-CE2 3.79Å |
| 524 | E | 85.8 | Confident | 84.1 | Confident | 33 Ų | 33 | 64.3 Ų | 64.3 | 15% | 0.154 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60 | -40 | 177.7 | -74.2 | 178.1 | -164.6 | 0 | 0 | 112 | Y404 R442 V520 H528 N537 | Y404-E524 HydrophobicContact CE2-CG 4.25Å; R442-E524 IonicContact CZ-OE1 2.92Å; R442-E524 IonicContact CZ-OE2 2.62Å; R442-E524 IonicContact NE-OE1 3.99Å; R442-E524 IonicContact NE-OE2 3.86Å; R442-E524 PolarHBondContact NE-OE2 3.06Å; R442-E524 IonicContact NH2-OE1 2.66Å; R442-E524 PolarHBondContact NH2-OE1 3.35Å; R442-E524 IonicContact NH2-OE2 3.32Å; V520-E524 HydrophobicContact CG1-CG 4.48Å; V520-E524 WeakPolarHBondContact CG1-OE1 3.45Å; V520-E524 WeakPolarHBondContact O-CG 3.44Å; V520-E524 PolarHBondContact O-N 2.88Å; E524-H528 PolarHBondContact O-N 3.2Å; E524-H528 VanDerWaalsContact O-N 3.12Å; E524-N537 WeakPolarHBondContact OE1-CB 3.05Å; E524-N537 PolarHBondContact OE1-ND2 2.72Å |
| 525 | R | 85.5 | Confident | 83.5 | Confident | 182 Ų | 182 | 65 Ų | 65 | 69% | 0.687 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -68.9 | -38.7 | 177.7 | -170 | 176.1 | 179.8 | 178.9 | -0 | 112.4 | F521 R522 I523 | F521-R525 WeakPolarHBondContact O-CB 3.45Å; F521-R525 PolarHBondContact O-N 3.09Å; R522-R525 PolarHBondContact O-N 3.44Å; I523-R525 VanDerWaalsContact C-N 3.31Å; I523-R525 PolarHBondContact O-N 3.39Å |
| 526 | V | 85.4 | Confident | 83 | Confident | 97 Ų | 97 | 68.9 Ų | 68.9 | 59% | 0.588 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -69.5 | -39.5 | 178.9 | 171 | 0 | 0 | 0 | 0 | 111.7 | R522 I523 | R522-V526 VanDerWaalsContact O-CG2 3.32Å; R522-V526 WeakPolarHBondContact O-CG2 3.4Å; R522-V526 PolarHBondContact O-N 3.35Å; I523-V526 PolarHBondContact O-N 3.01Å |
| 527 | H | 80.6 | Confident | 82.5 | Confident | 64 Ų | 64 | 68 Ų | 68 | 30% | 0.296 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 19.3 | -178 | -58.2 | 83 | 0 | 0 | 0 | 112.7 | I523 G529 R530 Y532 | I523-H527 PolarHBondContact O-N 3.3Å; I523-H527 PolarHBondContact O-ND1 2.89Å; H527-G529 PolarHBondContact O-N 2.84Å; H527-R530 PolarHBondContact O-N 2.79Å; H527-Y532 AromaticContact CD2-CD2 3.87Å; H527-Y532 AromaticContact CG-CD2 3.94Å; H527-Y532 AromaticContact NE2-CD2 3.92Å |
| 528 | H | 73.6 | Confident | 81.8 | Confident | 134 Ų | 134 | 70.2 Ų | 70.2 | 62% | 0.62 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 112.4 | 179.6 | -173 | -84 | 0 | 0 | 0 | 110.1 | E524 | E524-H528 PolarHBondContact O-N 3.2Å; E524-H528 VanDerWaalsContact O-N 3.12Å |
| 529 | G | 67.6 | Low | 80.9 | Confident | 83 Ų | 83 | 70.5 Ų | 70.5 | 86% | 0.856 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | 6.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | H527 | H527-G529 PolarHBondContact O-N 2.84Š|
| 530 | R | 73.6 | Confident | 80 | Confident | 199 Ų | 199 | 68 Ų | 68 | 75% | 0.751 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -116.5 | 149.1 | 172.5 | -64.3 | -178.6 | -177.4 | 176.3 | 0.3 | 110.2 | H527 Y532 | H527-R530 PolarHBondContact O-N 2.79Å; R530-Y532 PolarHBondContact O-N 2.9Å |
| 531 | E | 70.5 | Confident | 78.8 | Confident | 172 Ų | 172 | 69.2 Ų | 69.2 | 80% | 0.804 | 35% | 0.353 | S | S | * | . | trans | -64.8 | 121.4 | 174.1 | -70.7 | -168 | 170.1 | 0 | 0 | 110.4 | ||||
| 532 | Y | 81.7 | Confident | 77.4 | Confident | 52 Ų | 52 | 72.1 Ų | 72.1 | 20% | 0.204 | 37% | 0.369 | C | S | . | . | trans | -106.5 | 144.6 | 172 | 179.2 | -110.3 | 0 | 0 | 0 | 109.3 | Y404 I523 H527 R530 G534 G535 | Y404-Y532 HydrophobicContact CD1-CE1 4.42Å; Y404-Y532 HydrophobicContact CD2-CE1 4.08Å; Y404-Y532 AromaticContact CE1-CD1 3.97Å; Y404-Y532 HydrophobicContact CE1-CD1 3.97Å; Y404-Y532 HydrophobicContact CE1-CE1 4Å; Y404-Y532 AromaticContact CE2-CD1 3.97Å; Y404-Y532 HydrophobicContact CE2-CD1 3.97Å; Y404-Y532 AromaticContact CE2-CE1 3.65Å; Y404-Y532 HydrophobicContact CE2-CE1 3.65Å; Y404-Y532 HydrophobicContact CG-CE1 4.46Å; Y404-Y532 AromaticContact CZ-CD1 3.51Å; Y404-Y532 AromaticContact CZ-CE1 3.61Å; Y404-Y532 WeakPolarHBondContact OH-CD1 3.46Å; I523-Y532 HydrophobicContact CG2-CD2 4.23Å; I523-Y532 HydrophobicContact CG2-CE1 4.11Å; I523-Y532 HydrophobicContact CG2-CE2 3.79Å; H527-Y532 AromaticContact CD2-CD2 3.87Å; H527-Y532 AromaticContact CG-CD2 3.94Å; H527-Y532 AromaticContact NE2-CD2 3.92Å; R530-Y532 PolarHBondContact O-N 2.9Å; Y532-G534 VanDerWaalsContact CD1-N 3.26Å; Y532-G534 PolarHBondContact O-N 2.86Å; Y532-G534 VanDerWaalsContact O-N 3.14Å; Y532-G535 WeakPolarHBondContact O-CA 3.45Å; Y532-G535 PolarHBondContact O-N 3.15Å | ||
| 533 | V | 81.7 | Confident | 76.2 | Confident | 79 Ų | 79 | 70.2 Ų | 70.2 | 48% | 0.479 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -35.8 | -176.4 | -175.7 | 0 | 0 | 0 | 0 | 112.5 | T383 R384 G535 | T383-V533 HydrophobicContact CG2-CG1 4.18Å; R384-V533 PolarHBondContact N-O 3Å; V533-G535 VanDerWaalsContact C-N 3.27Å; V533-G535 PolarHBondContact O-N 3.05Å |
| 534 | G | 78.9 | Confident | 74.7 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -3.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y397 K405 Y532 | Y397-G534 PolarHBondContact OH-O 2.72Å; K405-G534 WeakPolarHBondContact CE-O 3.42Å; K405-G534 PolarHBondContact NZ-O 3.03Å; Y532-G534 VanDerWaalsContact CD1-N 3.26Å; Y532-G534 PolarHBondContact O-N 2.86Å; Y532-G534 VanDerWaalsContact O-N 3.14Å |
| 535 | G | 81 | Confident | 72.8 | Confident | 14 Ų | 14 | 74.9 Ų | 74.9 | 14% | 0.144 | 40% | 0.399 | C | S | . | . | trans | 75.4 | 175.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y404 K405 Y532 V533 | Y404-G535 VanDerWaalsContact CE1-O 3.3Å; Y404-G535 WeakPolarHBondContact CE1-O 3.38Å; Y404-G535 PolarHBondContact OH-O 2.89Å; K405-G535 PolarHBondContact NZ-O 3.45Å; Y532-G535 WeakPolarHBondContact O-CA 3.45Å; Y532-G535 PolarHBondContact O-N 3.15Å; V533-G535 VanDerWaalsContact C-N 3.27Å; V533-G535 PolarHBondContact O-N 3.05Å | ||
| 536 | D | 79.3 | Confident | 71 | Confident | 93 Ų | 93 | 69.4 Ų | 69.4 | 50% | 0.497 | 39% | 0.388 | S | S | . | . | trans | -78.8 | 146.9 | -177.7 | -170.2 | 0.7 | 0 | 0 | 0 | 113 | K405 T538 K543 | K405-D536 PolarHBondContact NZ-O 2.78Å; D536-T538 VanDerWaalsContact CG-OG1 3.23Å; D536-T538 WeakPolarHBondContact OD1-CG2 3.2Å; D536-T538 PolarHBondContact OD1-N 2.82Å; D536-T538 PolarHBondContact OD1-OG1 2.88Å; D536-T538 PolarHBondContact OD2-OG1 3.09Å; D536-K543 WeakPolarHBondContact OD2-CE 3.48Å; D536-K543 IonicContact OD2-NZ 3.71Å; D536-K543 PolarHBondContact OD2-NZ 2.75Å | ||
| 537 | N | 81.2 | Confident | 69.1 | Low | 4 Ų | 4 | 67.3 Ų | 67.3 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | trans | -115.5 | -2 | -177.9 | -82.9 | -12.9 | 0 | 0 | 0 | 114.3 | Y404 K405 R442 E524 | Y404-N537 WeakPolarHBondContact CE1-ND2 3.5Å; Y404-N537 PolarHBondContact O-ND2 3.35Å; K405-N537 WeakPolarHBondContact CD-OD1 3.47Å; K405-N537 PolarHBondContact NZ-OD1 3.32Å; R442-N537 PolarHBondContact NH2-ND2 2.9Å; E524-N537 WeakPolarHBondContact OE1-CB 3.05Å; E524-N537 PolarHBondContact OE1-ND2 2.72Å | ||
| 538 | T | 76.2 | Confident | 67.4 | Low | 45 Ų | 45 | 68.2 Ų | 68.2 | 28% | 0.276 | 39% | 0.392 | S | S | . | . | trans | -63.9 | 130.5 | 178.6 | 54.6 | 0 | 0 | 0 | 0 | 111.6 | D536 K543 | D536-T538 VanDerWaalsContact CG-OG1 3.23Å; D536-T538 WeakPolarHBondContact OD1-CG2 3.2Å; D536-T538 PolarHBondContact OD1-N 2.82Å; D536-T538 PolarHBondContact OD1-OG1 2.88Å; D536-T538 PolarHBondContact OD2-OG1 3.09Å; T538-K543 WeakPolarHBondContact OG1-CE 3.43Å; T538-K543 PolarHBondContact OG1-NZ 2.97Å | ||
| 539 | P | 73.9 | Confident | 65.9 | Low | 25 Ų | 25 | 66.5 Ų | 66.5 | 16% | 0.162 | 40% | 0.395 | C | S | . | . | trans | -68.1 | 136.9 | 178.8 | 27.4 | -33.2 | 0 | 0 | 0 | 110.5 | A541 N542 N719 | P539-A541 PolarHBondContact O-N 2.9Å; P539-N542 HydrophobicContact CG-CB 4.48Å; P539-N542 PolarHBondContact O-N 3.34Å; P539-N719 HydrophobicContact CB-CB 4.18Å | ||
| 540 | I | 69 | Low | 64.6 | Low | 16 Ų | 16 | 71.4 Ų | 71.4 | 8% | 0.082 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.7 | -30.5 | -175 | -61.3 | 165.6 | 0 | 0 | 0 | 112.5 | N542 K543 G544 N719 S720 W721 | I540-N542 PolarHBondContact O-N 2.81Å; I540-N542 VanDerWaalsContact O-N 3.07Å; I540-K543 WeakPolarHBondContact O-CA 3.25Å; I540-K543 PolarHBondContact O-N 3.47Å; I540-G544 PolarHBondContact O-N 3.05Å; I540-N719 WeakPolarHBondContact CD1-O 3.35Å; I540-N719 WeakPolarHBondContact CG1-O 3.31Å; I540-S720 WeakPolarHBondContact CD1-O 3.42Å; I540-W721 HydrophobicContact CD1-CB 4.14Å; I540-W721 HydrophobicContact CD1-CD2 3.65Å; I540-W721 HydrophobicContact CD1-CE3 4.3Å; I540-W721 HydrophobicContact CD1-CG 3.57Å; I540-W721 VanDerWaalsContact CD1-N 3.29Å; I540-W721 HydrophobicContact CG1-CD2 4.2Å; I540-W721 HydrophobicContact CG1-CG 4.31Å; I540-W721 HydrophobicContact CG1-CZ2 4.38Å |
| 541 | A | 63.4 | Low | 63.2 | Low | 33 Ų | 33 | 69.6 Ų | 69.6 | 27% | 0.273 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -54.7 | -28.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | P539 I627 | P539-A541 PolarHBondContact O-N 2.9Å; A541-I627 HydrophobicContact CB-CD1 4.43Å |
| 542 | N | 63.2 | Low | 61.7 | Low | 68 Ų | 68 | 70 Ų | 70 | 36% | 0.364 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -85.8 | -21.8 | 176.4 | -67.9 | -1.9 | 0 | 0 | 0 | 113 | P539 I540 | P539-N542 HydrophobicContact CG-CB 4.48Å; P539-N542 PolarHBondContact O-N 3.34Å; I540-N542 PolarHBondContact O-N 2.81Å; I540-N542 VanDerWaalsContact O-N 3.07Å |
| 543 | K | 61.7 | Low | 59.7 | Low | 60 Ų | 60 | 70 Ų | 70 | 26% | 0.261 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -84.4 | -22.4 | 175.3 | -74.8 | -176.2 | 169.4 | 171.9 | 0 | 113 | D536 T538 I540 D545 S546 L547 | D536-K543 WeakPolarHBondContact OD2-CE 3.48Å; D536-K543 IonicContact OD2-NZ 3.71Å; D536-K543 PolarHBondContact OD2-NZ 2.75Å; T538-K543 WeakPolarHBondContact OG1-CE 3.43Å; T538-K543 PolarHBondContact OG1-NZ 2.97Å; I540-K543 WeakPolarHBondContact O-CA 3.25Å; I540-K543 PolarHBondContact O-N 3.47Å; K543-D545 VanDerWaalsContact C-N 3.25Å; K543-D545 PolarHBondContact O-N 2.53Å; K543-S546 CarbonylContact O-C 3.49Å; K543-S546 PolarHBondContact O-N 2.92Å; K543-S546 PolarHBondContact O-OG 3.16Å; K543-L547 HydrophobicContact CB-CD1 4.32Å; K543-L547 PolarHBondContact O-N 2.98Å |
| 544 | G | 53.9 | Low | 58 | Low | 39 Ų | 39 | 71.8 Ų | 71.8 | 40% | 0.402 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -57.5 | -33.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | I540 S546 | I540-G544 PolarHBondContact O-N 3.05Å; G544-S546 VanDerWaalsContact C-N 3.26Å; G544-S546 PolarHBondContact O-N 2.77Å |
| 545 | D | 47.7 | Very low | 56.2 | Low | 114 Ų | 114 | 78.7 Ų | 78.7 | 61% | 0.61 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -73.9 | -18.5 | 177.8 | -64.4 | -19.2 | 0 | 0 | 0 | 112.3 | K543 K624 | K543-D545 VanDerWaalsContact C-N 3.25Å; K543-D545 PolarHBondContact O-N 2.53Å; D545-K624 IonicContact OD1-NZ 3.96Å; D545-K624 PolarHBondContact OD1-NZ 2.84Å; D545-K624 IonicContact OD2-NZ 3.93Å; D545-K624 PolarHBondContact OD2-NZ 3.15Å |
| 546 | S | 46.5 | Very low | 54.4 | Low | 66 Ų | 66 | 86.5 Ų | 86.5 | 46% | 0.462 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -103.4 | -9.1 | 178.7 | 60.9 | 0 | 0 | 0 | 0 | 114.5 | K543 G544 S549 | K543-S546 CarbonylContact O-C 3.49Å; K543-S546 PolarHBondContact O-N 2.92Å; K543-S546 PolarHBondContact O-OG 3.16Å; G544-S546 VanDerWaalsContact C-N 3.26Å; G544-S546 PolarHBondContact O-N 2.77Å; S546-S549 PolarHBondContact O-OG 3.38Å |
| 547 | L | 46 | Very low | 52.9 | Low | 54 Ų | 54 | 89.2 Ų | 89.2 | 28% | 0.283 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -87.7 | -19.7 | -179.7 | -124.6 | 123.2 | 0 | 0 | 0 | 112.2 | K543 S549 W554 W721 | K543-L547 HydrophobicContact CB-CD1 4.32Å; K543-L547 PolarHBondContact O-N 2.98Å; L547-S549 PolarHBondContact O-N 3.14Å; L547-W554 HydrophobicContact CD2-CZ2 3.94Å; L547-W721 HydrophobicContact CD1-CH2 3.98Å; L547-W721 HydrophobicContact CD1-CZ2 4.48Å |
| 548 | A | 45 | Very low | 51.8 | Low | 83 Ų | 83 | 96.6 Ų | 96.6 | 69% | 0.686 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -16.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 549 | S | 41.3 | Very low | 51.5 | Low | 97 Ų | 97 | 95.9 Ų | 95.9 | 68% | 0.678 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | 4.2 | -178.5 | 53.5 | 0 | 0 | 0 | 0 | 114.4 | S546 L547 | S546-S549 PolarHBondContact O-OG 3.38Å; L547-S549 PolarHBondContact O-N 3.14Å |
| 550 | R | 41.7 | Very low | 51.5 | Low | 187 Ų | 187 | 97.9 Ų | 97.9 | 71% | 0.706 | 53% | 0.529 | S | S | * | . | trans | -126.5 | 70.9 | -179.5 | -147.7 | 168.1 | 87.7 | 145.8 | 5.2 | 110.6 | E552 | R550-E552 PolarHBondContact O-N 3.24Å; R550-E552 VanDerWaalsContact O-N 3.15Å | ||
| 551 | E | 42.8 | Very low | 51.8 | Low | 160 Ų | 160 | 99.3 Ų | 99.3 | 75% | 0.748 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -6.7 | -172.3 | -68 | -177.8 | 143.3 | 0 | 0 | 115.1 | ||
| 552 | E | 39.8 | Very low | 52.8 | Low | 181 Ų | 181 | 97.8 Ų | 97.8 | 85% | 0.846 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | 1.7 | -168.2 | -65 | -176 | 156.7 | 0 | 0 | 116.1 | R550 | R550-E552 PolarHBondContact O-N 3.24Å; R550-E552 VanDerWaalsContact O-N 3.15Å |
| 553 | G | 38.8 | Very low | 53.6 | Low | 51 Ų | 51 | 95.5 Ų | 95.5 | 53% | 0.526 | 51% | 0.512 | S | S | . | . | trans | -99 | 13.3 | -167.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 554 | W | 46.9 | Very low | 54.1 | Low | 118 Ų | 118 | 94.1 Ų | 94.1 | 45% | 0.447 | 51% | 0.508 | S | S | . | . | trans | -90 | -0.5 | -175.8 | -69.2 | 87.7 | 0 | 0 | 0 | 114.3 | L547 Y942 | L547-W554 HydrophobicContact CD2-CZ2 3.94Å; W554-Y942 HydrophobicContact CH2-CD1 4.01Å; W554-Y942 HydrophobicContact CH2-CD2 4.5Å; W554-Y942 HydrophobicContact CH2-CE1 4.41Å; W554-Y942 HydrophobicContact CH2-CG 4.08Å; W554-Y942 HydrophobicContact CZ3-CD1 4.41Å; W554-Y942 HydrophobicContact CZ3-CD2 4.34Å; W554-Y942 HydrophobicContact CZ3-CE1 4.47Å; W554-Y942 HydrophobicContact CZ3-CE2 4.49Å; W554-Y942 HydrophobicContact CZ3-CG 4.36Å | ||
| 555 | N | 40.9 | Very low | 54.8 | Low | 145 Ų | 145 | 95.2 Ų | 95.2 | 78% | 0.775 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -81.9 | 116.9 | 175.3 | -69.7 | -13.3 | 0 | 0 | 0 | 109.4 | ||
| 556 | E | 44 | Very low | 56 | Low | 178 Ų | 178 | 93.5 Ų | 93.5 | 83% | 0.832 | 50% | 0.499 | S | S | * | . | S | Bend | trans | 82.3 | 91.4 | 167.3 | -55.5 | -177.7 | 167.8 | 0 | 0 | 119.1 | ||
| 557 | N | 47 | Very low | 57.1 | Low | 150 Ų | 150 | 100.3 Ų | 100.3 | 80% | 0.802 | 51% | 0.514 | S | S | * | . | trans | 55.3 | 68.7 | 138.1 | -62.6 | -26 | 0 | 0 | 0 | 120.9 | ||||
| 558 | E | 59.1 | Low | 58.4 | Low | 159 Ų | 159 | 99.3 Ų | 99.3 | 74% | 0.743 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -85.9 | -40.7 | 154.7 | -79.9 | -166.9 | -174.3 | 0 | 0 | 112.8 | ||
| 559 | I | 69.4 | Low | 59.9 | Low | 29 Ų | 29 | 97.4 Ų | 97.4 | 15% | 0.149 | 50% | 0.5 | C | S | . | . | S | Bend | trans | -145.8 | 126.6 | 176.8 | -53.8 | 179.7 | 0 | 0 | 0 | 109.4 | W721 Y722 | I559-W721 HydrophobicContact CD1-CB 3.52Å; I559-W721 HydrophobicContact CD1-CG 4.41Å; I559-Y722 HydrophobicContact CD1-CD1 4.42Å; I559-Y722 HydrophobicContact CD1-CE1 4.21Å; I559-Y722 HydrophobicContact CD1-CE2 4.37Å; I559-Y722 HydrophobicContact CG2-CD1 3.76Å; I559-Y722 HydrophobicContact CG2-CE1 3.45Å; I559-Y722 VanDerWaalsContact CG2-CE1 3.45Å |
| 560 | P | 73.6 | Confident | 62 | Low | 67 Ų | 67 | 93.2 Ų | 93.2 | 44% | 0.435 | 47% | 0.47 | S | S | . | . | trans | -71.9 | 152.8 | 177.7 | 29.5 | -34.3 | 0 | 0 | 0 | 112.3 | F562 | P560-F562 PolarHBondContact O-N 2.92Š| ||
| 561 | D | 75.1 | Confident | 64.1 | Low | 46 Ų | 46 | 85 Ų | 85 | 25% | 0.246 | 44% | 0.441 | C | S | . | . | trans | -68.5 | 103.1 | 172.2 | -172 | -6.9 | 0 | 0 | 0 | 110.4 | I563 T564 K934 | D561-I563 PolarHBondContact OD1-N 3.05Å; D561-T564 PolarHBondContact OD1-N 3.25Å; D561-T564 WeakPolarHBondContact OD2-CB 3.38Å; D561-T564 PolarHBondContact OD2-OG1 2.74Å; D561-K934 IonicContact OD2-NZ 3.74Å | ||
| 562 | F | 83.8 | Confident | 66 | Low | 1 Ų | 1 | 82 Ų | 82 | 0% | 0.004 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -9.9 | -179.1 | 64.6 | -87 | 0 | 0 | 0 | 113.3 | P560 C566 D571 K574 A575 F578 Y722 H725 V726 | P560-F562 PolarHBondContact O-N 2.92Å; F562-C566 PolarHBondContact O-SG 2.8Å; F562-D571 HydrophobicContact CB-CB 3.9Å; F562-K574 HydrophobicContact CB-CD 4.25Å; F562-K574 HydrophobicContact CD2-CB 3.57Å; F562-K574 HydrophobicContact CD2-CD 4.5Å; F562-K574 HydrophobicContact CE2-CB 3.85Å; F562-K574 HydrophobicContact CG-CB 4.1Å; F562-K574 HydrophobicContact CG-CD 4.19Å; F562-A575 HydrophobicContact CD2-CB 4.25Å; F562-A575 HydrophobicContact CE2-CB 4.4Å; F562-F578 HydrophobicContact CE2-CD2 4.28Å; F562-F578 HydrophobicContact CZ-CB 4.3Å; F562-F578 HydrophobicContact CZ-CD2 4.03Å; F562-Y722 AromaticContact CD1-CD1 3.99Å; F562-Y722 HydrophobicContact CD1-CD1 3.99Å; F562-Y722 AromaticContact CE1-CD1 3.69Å; F562-Y722 HydrophobicContact CE1-CD1 3.69Å; F562-Y722 HydrophobicContact CE1-CG 4.31Å; F562-Y722 HydrophobicContact CZ-CD1 4.42Å; F562-H725 HydrophobicContact CE1-CB 4.02Å; F562-H725 HydrophobicContact CZ-CB 4.48Å; F562-V726 HydrophobicContact CZ-CG2 4.44Å |
| 563 | I | 80.7 | Confident | 68.1 | Low | 21 Ų | 21 | 76.8 Ų | 76.8 | 11% | 0.108 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -47 | -176.5 | -56.1 | 176.2 | 0 | 0 | 0 | 110.1 | D561 H725 V726 E729 | D561-I563 PolarHBondContact OD1-N 3.05Å; I563-H725 HydrophobicContact CD1-CB 3.99Å; I563-V726 HydrophobicContact CD1-CB 4.32Å; I563-V726 HydrophobicContact CD1-CG2 3.72Å; I563-E729 HydrophobicContact CD1-CB 4.08Å; I563-E729 HydrophobicContact CD1-CG 4.43Å; I563-E729 HydrophobicContact CG2-CB 4.44Å; I563-E729 HydrophobicContact CG2-CG 3.9Å; I563-E729 WeakPolarHBondContact CG2-OE1 3.31Å |
| 564 | T | 72.6 | Confident | 70.5 | Confident | 31 Ų | 31 | 75 Ų | 75 | 19% | 0.19 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -31.1 | -178.3 | -69.4 | 0 | 0 | 0 | 0 | 112.7 | D561 R931 K934 | D561-T564 PolarHBondContact OD1-N 3.25Å; D561-T564 WeakPolarHBondContact OD2-CB 3.38Å; D561-T564 PolarHBondContact OD2-OG1 2.74Å; T564-R931 HydrophobicContact CG2-CB 3.78Å; T564-R931 HydrophobicContact CG2-CG 3.57Å; T564-K934 WeakPolarHBondContact OG1-CD 3.44Å; T564-K934 PolarHBondContact OG1-NZ 3.31Å |
| 565 | H | 68.3 | Low | 72.3 | Confident | 62 Ų | 62 | 70.2 Ų | 70.2 | 29% | 0.287 | 37% | 0.371 | S | S | . | . | trans | -122.8 | 82.4 | 177.7 | -60.5 | -84.5 | 0 | 0 | 0 | 110.2 | R567 R931 | H565-R567 HydrophobicContact CB-CG 4.18Å; H565-R567 PolarHBondContact O-N 3.45Å; H565-R931 PolarHBondContact CE1-NE 3.25Å; H565-R931 PolarHBondContact CE1-NH2 2.71Å | ||
| 566 | C | 71.9 | Confident | 74.4 | Confident | 77 Ų | 77 | 66.9 Ų | 66.9 | 52% | 0.52 | 36% | 0.356 | S | S | . | . | trans | -71.2 | 73.9 | 172.5 | -69.6 | 0 | 0 | 0 | 0 | 111 | F562 | F562-C566 PolarHBondContact O-SG 2.8Š| ||
| 567 | R | 70.5 | Confident | 76.5 | Confident | 210 Ų | 210 | 61.3 Ų | 61.3 | 79% | 0.792 | 33% | 0.334 | S | S | * | . | trans | -80.9 | -34.3 | -177.6 | -62.5 | -176.9 | -175.1 | -169.5 | 1.6 | 112.7 | H565 | H565-R567 HydrophobicContact CB-CG 4.18Å; H565-R567 PolarHBondContact O-N 3.45Å | ||
| 568 | S | 74.1 | Confident | 78.5 | Confident | 33 Ų | 33 | 55.7 Ų | 55.7 | 23% | 0.231 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -116.3 | 152 | -174.7 | 179.5 | 0 | 0 | 0 | 0 | 111.7 | R389 L570 D571 M572 | R389-S568 PolarHBondContact O-OG 3.39Å; S568-L570 PolarHBondContact O-N 2.96Å; S568-L570 PolarHBondContact OG-N 2.9Å; S568-D571 PolarHBondContact N-OD2 2.89Å; S568-D571 WeakPolarHBondContact O-CB 3.49Å; S568-D571 PolarHBondContact O-N 2.77Å; S568-M572 PolarHBondContact O-N 3.16Å |
| 569 | G | 76.4 | Confident | 79.7 | Confident | 43 Ų | 43 | 50.4 Ų | 50.4 | 44% | 0.443 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.3 | -27.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | M572 V573 | G569-M572 PolarHBondContact O-N 3.42Å; G569-V573 WeakPolarHBondContact O-CG2 3.34Å; G569-V573 PolarHBondContact O-N 2.93Å; G569-V573 VanDerWaalsContact O-N 3.08Å |
| 570 | L | 85.5 | Confident | 80.5 | Confident | 8 Ų | 8 | 53.5 Ų | 53.5 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.8 | -40.3 | 172.4 | 176.9 | 64.7 | 0 | 0 | 0 | 111.9 | A387 V391 C394 S568 M572 V573 K574 | A387-L570 WeakPolarHBondContact O-CD2 3.3Å; V391-L570 HydrophobicContact CG2-CB 3.81Å; V391-L570 HydrophobicContact CG2-CD1 4.47Å; C394-L570 HydrophobicContact CB-CD1 3.76Å; C394-L570 HydrophobicContact CB-CD2 3.95Å; S568-L570 PolarHBondContact O-N 2.96Å; S568-L570 PolarHBondContact OG-N 2.9Å; L570-M572 VanDerWaalsContact C-N 3.31Å; L570-M572 PolarHBondContact O-N 3Å; L570-V573 PolarHBondContact O-N 3.49Å; L570-V573 VanDerWaalsContact O-N 3.16Å; L570-K574 HydrophobicContact CD1-CG 4.45Å; L570-K574 HydrophobicContact CG-CD 4.39Å; L570-K574 HydrophobicContact CG-CG 4.44Å; L570-K574 WeakPolarHBondContact O-CG 3.34Å; L570-K574 PolarHBondContact O-N 3.26Å |
| 571 | D | 85.8 | Confident | 81.3 | Confident | 16 Ų | 16 | 52.1 Ų | 52.1 | 9% | 0.086 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.7 | -36 | -179.9 | -62.7 | -29.9 | 0 | 0 | 0 | 110.9 | F562 S568 K574 A575 | F562-D571 HydrophobicContact CB-CB 3.9Å; S568-D571 PolarHBondContact N-OD2 2.89Å; S568-D571 WeakPolarHBondContact O-CB 3.49Å; S568-D571 PolarHBondContact O-N 2.77Å; D571-K574 PolarHBondContact O-N 3.03Å; D571-K574 IonicContact OD1-NZ 3.7Å; D571-K574 PolarHBondContact OD1-NZ 3.5Å; D571-A575 VanDerWaalsContact O-CB 3.3Å; D571-A575 WeakPolarHBondContact O-CB 3.43Å; D571-A575 PolarHBondContact O-N 3.1Å |
| 572 | M | 81.3 | Confident | 81.8 | Confident | 97 Ų | 97 | 50.1 Ų | 50.1 | 48% | 0.478 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 169 | -171.5 | -178.5 | 77.1 | 0 | 0 | 111.7 | S568 G569 L570 A575 V576 | S568-M572 PolarHBondContact O-N 3.16Å; G569-M572 PolarHBondContact O-N 3.42Å; L570-M572 VanDerWaalsContact C-N 3.31Å; L570-M572 PolarHBondContact O-N 3Å; M572-A575 PolarHBondContact O-N 3.03Å; M572-V576 VanDerWaalsContact O-CG2 3.31Å; M572-V576 WeakPolarHBondContact O-CG2 3.34Å; M572-V576 PolarHBondContact O-N 2.99Å |
| 573 | V | 84.2 | Confident | 82 | Confident | 71 Ų | 71 | 52.4 Ų | 52.4 | 43% | 0.43 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 176.5 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | G569 L570 V576 V577 | G569-V573 WeakPolarHBondContact O-CG2 3.34Å; G569-V573 PolarHBondContact O-N 2.93Å; G569-V573 VanDerWaalsContact O-N 3.08Å; L570-V573 PolarHBondContact O-N 3.49Å; L570-V573 VanDerWaalsContact O-N 3.16Å; V573-V576 PolarHBondContact O-N 2.92Å; V573-V577 HydrophobicContact CG1-CG2 4.32Å; V573-V577 WeakPolarHBondContact O-CB 3.33Å; V573-V577 VanDerWaalsContact O-CG2 3.3Å; V573-V577 WeakPolarHBondContact O-CG2 3.26Å; V573-V577 PolarHBondContact O-N 3.3Å |
| 574 | K | 89.4 | Confident | 82.4 | Confident | 12 Ų | 12 | 55.2 Ų | 55.2 | 5% | 0.052 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.2 | -46.4 | 174.9 | -70.6 | 173.7 | -167.5 | 150.8 | 0 | 111.1 | D388 F562 L570 D571 V576 V577 F578 Y722 | D388-K574 PolarHBondContact O-NZ 3.4Å; D388-K574 WeakPolarHBondContact OD1-CE 3.23Å; D388-K574 IonicContact OD1-NZ 2.79Å; D388-K574 PolarHBondContact OD1-NZ 2.99Å; F562-K574 HydrophobicContact CB-CD 4.25Å; F562-K574 HydrophobicContact CD2-CB 3.57Å; F562-K574 HydrophobicContact CD2-CD 4.5Å; F562-K574 HydrophobicContact CE2-CB 3.85Å; F562-K574 HydrophobicContact CG-CB 4.1Å; F562-K574 HydrophobicContact CG-CD 4.19Å; L570-K574 HydrophobicContact CD1-CG 4.45Å; L570-K574 HydrophobicContact CG-CD 4.39Å; L570-K574 HydrophobicContact CG-CG 4.44Å; L570-K574 WeakPolarHBondContact O-CG 3.34Å; L570-K574 PolarHBondContact O-N 3.26Å; D571-K574 PolarHBondContact O-N 3.03Å; D571-K574 IonicContact OD1-NZ 3.7Å; D571-K574 PolarHBondContact OD1-NZ 3.5Å; K574-V576 VanDerWaalsContact C-N 3.31Å; K574-V576 PolarHBondContact O-N 3.45Å; K574-V577 PolarHBondContact O-N 3.16Å; K574-F578 HydrophobicContact CB-CD2 4.04Å; K574-F578 HydrophobicContact CB-CE2 4.22Å; K574-F578 HydrophobicContact CG-CE2 4.28Å; K574-F578 WeakPolarHBondContact O-CB 3.46Å; K574-F578 WeakPolarHBondContact O-CD2 3.28Å; K574-F578 PolarHBondContact O-N 3.31Å; K574-Y722 HydrophobicContact CD-CD1 4.45Å; K574-Y722 HydrophobicContact CD-CE1 4.05Å |
| 575 | A | 85.3 | Confident | 83.2 | Confident | 18 Ų | 18 | 53.8 Ų | 53.8 | 15% | 0.149 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.6 | -47.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | F562 D571 M572 K579 | F562-A575 HydrophobicContact CD2-CB 4.25Å; F562-A575 HydrophobicContact CE2-CB 4.4Å; D571-A575 VanDerWaalsContact O-CB 3.3Å; D571-A575 WeakPolarHBondContact O-CB 3.43Å; D571-A575 PolarHBondContact O-N 3.1Å; M572-A575 PolarHBondContact O-N 3.03Å; A575-K579 WeakPolarHBondContact O-CB 3.07Å; A575-K579 PolarHBondContact O-N 3.3Å |
| 576 | V | 84 | Confident | 84.2 | Confident | 76 Ų | 76 | 51 Ų | 51 | 46% | 0.461 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.1 | -50 | 178 | 171.1 | 0 | 0 | 0 | 0 | 111.8 | M572 V573 K574 Y580 | M572-V576 VanDerWaalsContact O-CG2 3.31Å; M572-V576 WeakPolarHBondContact O-CG2 3.34Å; M572-V576 PolarHBondContact O-N 2.99Å; V573-V576 PolarHBondContact O-N 2.92Å; K574-V576 VanDerWaalsContact C-N 3.31Å; K574-V576 PolarHBondContact O-N 3.45Å; V576-Y580 HydrophobicContact CB-CD2 4.49Å; V576-Y580 HydrophobicContact CG1-CD2 4.36Å; V576-Y580 WeakPolarHBondContact O-CB 3.36Å; V576-Y580 PolarHBondContact O-N 3.37Å |
| 577 | V | 88.4 | Confident | 85 | Confident | 60 Ų | 60 | 50.9 Ų | 50.9 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.6 | -53.7 | -177.8 | 172.9 | 0 | 0 | 0 | 0 | 111 | V573 K574 K579 F581 | V573-V577 HydrophobicContact CG1-CG2 4.32Å; V573-V577 WeakPolarHBondContact O-CB 3.33Å; V573-V577 VanDerWaalsContact O-CG2 3.3Å; V573-V577 WeakPolarHBondContact O-CG2 3.26Å; V573-V577 PolarHBondContact O-N 3.3Å; K574-V577 PolarHBondContact O-N 3.16Å; V577-K579 PolarHBondContact O-N 3Å; V577-F581 WeakPolarHBondContact O-CB 3.48Å; V577-F581 PolarHBondContact O-N 2.99Å; V577-F581 VanDerWaalsContact O-N 3.15Å |
| 578 | F | 89.2 | Confident | 85.9 | Confident | 32 Ų | 32 | 41.5 Ų | 41.5 | 14% | 0.14 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -75.9 | -26.7 | -173.2 | -65.7 | -65.3 | 0 | 0 | 0 | 113.6 | F562 K574 I717 Y722 V726 | F562-F578 HydrophobicContact CE2-CD2 4.28Å; F562-F578 HydrophobicContact CZ-CB 4.3Å; F562-F578 HydrophobicContact CZ-CD2 4.03Å; K574-F578 HydrophobicContact CB-CD2 4.04Å; K574-F578 HydrophobicContact CB-CE2 4.22Å; K574-F578 HydrophobicContact CG-CE2 4.28Å; K574-F578 WeakPolarHBondContact O-CB 3.46Å; K574-F578 WeakPolarHBondContact O-CD2 3.28Å; K574-F578 PolarHBondContact O-N 3.31Å; F578-I717 HydrophobicContact CD1-CG1 4.24Å; F578-I717 HydrophobicContact CD1-CG2 3.85Å; F578-I717 HydrophobicContact CE1-CG1 4.19Å; F578-I717 HydrophobicContact CE1-CG2 4.45Å; F578-Y722 HydrophobicContact CD2-CG 4.05Å; F578-Y722 HydrophobicContact CE1-CD2 4.18Å; F578-Y722 HydrophobicContact CE1-CG 4.37Å; F578-Y722 HydrophobicContact CE2-CD1 4.04Å; F578-Y722 AromaticContact CE2-CD2 3.69Å; F578-Y722 HydrophobicContact CE2-CD2 3.69Å; F578-Y722 HydrophobicContact CE2-CE2 4.38Å; F578-Y722 AromaticContact CE2-CG 3.49Å; F578-Y722 HydrophobicContact CE2-CG 3.49Å; F578-Y722 VanDerWaalsContact CE2-CG 3.49Å; F578-Y722 AromaticContact CZ-CD2 3.43Å; F578-Y722 HydrophobicContact CZ-CD2 3.43Å; F578-Y722 VanDerWaalsContact CZ-CD2 3.43Å; F578-Y722 HydrophobicContact CZ-CE2 4.18Å; F578-Y722 AromaticContact CZ-CG 3.68Å; F578-Y722 HydrophobicContact CZ-CG 3.68Å; F578-V726 HydrophobicContact CB-CG2 3.85Å |
| 579 | K | 85 | Confident | 86.7 | Confident | 49 Ų | 49 | 40 Ų | 40 | 21% | 0.213 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -82.9 | -44.3 | 177.2 | -166.8 | 172.9 | -176.3 | 166 | 0 | 112.4 | A575 V577 E729 E733 | A575-K579 WeakPolarHBondContact O-CB 3.07Å; A575-K579 PolarHBondContact O-N 3.3Å; V577-K579 PolarHBondContact O-N 3Å; K579-E729 IonicContact NZ-OE1 3.64Å; K579-E733 IonicContact NZ-OE1 3.13Å; K579-E733 PolarHBondContact NZ-OE1 3.27Å |
| 580 | Y | 86.5 | Confident | 87.3 | Confident | 94 Ų | 94 | 38.2 Ų | 38.2 | 37% | 0.369 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -103.7 | -13.7 | -169 | -59 | -64.9 | 0 | 0 | 0 | 115.9 | V576 H582 W583 L584 | V576-Y580 HydrophobicContact CB-CD2 4.49Å; V576-Y580 HydrophobicContact CG1-CD2 4.36Å; V576-Y580 WeakPolarHBondContact O-CB 3.36Å; V576-Y580 PolarHBondContact O-N 3.37Å; Y580-H582 PolarHBondContact O-N 2.9Å; Y580-W583 PolarHBondContact O-N 3.35Å; Y580-L584 PolarHBondContact O-N 3.33Å |
| 581 | F | 89.1 | Confident | 87.3 | Confident | 38 Ų | 38 | 39.7 Ų | 39.7 | 17% | 0.167 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.9 | -23.5 | -177.4 | -167.7 | -89.9 | 0 | 0 | 0 | 113.4 | V577 W583 L584 T585 F710 F713 Q714 I717 | V577-F581 WeakPolarHBondContact O-CB 3.48Å; V577-F581 PolarHBondContact O-N 2.99Å; V577-F581 VanDerWaalsContact O-N 3.15Å; F581-W583 PolarHBondContact O-N 2.89Å; F581-L584 HydrophobicContact CD2-CD2 3.99Å; F581-L584 HydrophobicContact CE2-CD2 4.1Å; F581-L584 WeakPolarHBondContact O-CB 3.49Å; F581-L584 PolarHBondContact O-N 3.46Å; F581-T585 HydrophobicContact CD1-CG2 3.51Å; F581-T585 HydrophobicContact CE1-CG2 3.44Å; F581-T585 VanDerWaalsContact CE1-CG2 3.44Å; F581-T585 HydrophobicContact CZ-CG2 4.37Å; F581-T585 WeakPolarHBondContact O-CG2 3.49Å; F581-T585 PolarHBondContact O-N 3.3Å; F581-F710 HydrophobicContact CE1-CD1 4.14Å; F581-F710 HydrophobicContact CE2-CD1 4.19Å; F581-F710 HydrophobicContact CE2-CE1 4.1Å; F581-F710 AromaticContact CZ-CD1 3.66Å; F581-F710 HydrophobicContact CZ-CD1 3.66Å; F581-F710 HydrophobicContact CZ-CE1 4Å; F581-F713 HydrophobicContact CE1-CB 3.88Å; F581-F713 HydrophobicContact CZ-CB 3.83Å; F581-Q714 HydrophobicContact CD1-CB 4.32Å; F581-Q714 VanDerWaalsContact CD1-OE1 3.25Å; F581-Q714 HydrophobicContact CE1-CB 4.24Å; F581-I717 HydrophobicContact CB-CD1 4.01Å; F581-I717 HydrophobicContact CD1-CD1 3.45Å; F581-I717 VanDerWaalsContact CD1-CD1 3.45Å; F581-I717 HydrophobicContact CE1-CD1 3.94Å; F581-I717 HydrophobicContact CG-CD1 3.75Å |
| 582 | H | 87 | Confident | 87.3 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -55.2 | -50.5 | 170 | 177.2 | 48.6 | 0 | 0 | 0 | 112.5 | Y580 L584 T585 M586 Y619 | Y580-H582 PolarHBondContact O-N 2.9Å; H582-L584 VanDerWaalsContact C-N 3.28Å; H582-L584 PolarHBondContact O-N 3.01Å; H582-T585 PolarHBondContact O-N 3.03Å; H582-T585 VanDerWaalsContact O-N 3.1Å; H582-T585 PolarHBondContact O-OG1 3.42Å; H582-M586 WeakPolarHBondContact O-CG 3.17Å; H582-M586 PolarHBondContact O-N 3.05Å; H582-Y619 VanDerWaalsContact CB-OH 3.25Å; H582-Y619 WeakPolarHBondContact CB-OH 2.98Å; H582-Y619 PolarHBondContact CD2-OH 3.25Å; H582-Y619 VanDerWaalsContact CD2-OH 3.31Å; H582-Y619 PolarHBondContact ND1-OH 3.46Å |
| 583 | W | 87.7 | Confident | 87.6 | Confident | 50 Ų | 50 | 34.6 Ų | 34.6 | 19% | 0.189 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65 | -35.6 | -179.7 | -60.9 | 110.5 | 0 | 0 | 0 | 111.5 | Y580 F581 T585 M586 L587 L612 H1111 | Y580-W583 PolarHBondContact O-N 3.35Å; F581-W583 PolarHBondContact O-N 2.89Å; W583-T585 VanDerWaalsContact C-N 3.33Å; W583-T585 PolarHBondContact O-N 2.81Å; W583-M586 PolarHBondContact O-N 3.25Å; W583-L587 PolarHBondContact O-N 2.95Å; W583-L612 HydrophobicContact CE3-CD2 4.13Å; W583-L612 HydrophobicContact CZ3-CD2 3.82Å; W583-H1111 HydrophobicContact CZ2-CB 4.46Å |
| 584 | L | 87.7 | Confident | 87.6 | Confident | 80 Ų | 80 | 33.4 Ų | 33.4 | 42% | 0.419 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.8 | -39 | 173.1 | -173.6 | 62.8 | 0 | 0 | 0 | 112 | Y580 F581 H582 L587 A588 F710 | Y580-L584 PolarHBondContact O-N 3.33Å; F581-L584 HydrophobicContact CD2-CD2 3.99Å; F581-L584 HydrophobicContact CE2-CD2 4.1Å; F581-L584 WeakPolarHBondContact O-CB 3.49Å; F581-L584 PolarHBondContact O-N 3.46Å; H582-L584 VanDerWaalsContact C-N 3.28Å; H582-L584 PolarHBondContact O-N 3.01Å; L584-L587 HydrophobicContact CD1-CD2 4.47Å; L584-L587 WeakPolarHBondContact O-CB 3.46Å; L584-L587 PolarHBondContact O-N 3.3Å; L584-A588 PolarHBondContact O-N 3.36Å; L584-F710 HydrophobicContact CD2-CD1 4.5Å; L584-F710 HydrophobicContact CD2-CE1 3.63Å; L584-F710 HydrophobicContact CD2-CZ 4.39Å; L584-F710 HydrophobicContact CG-CD1 4.33Å; L584-F710 HydrophobicContact CG-CE1 3.7Å; L584-F710 HydrophobicContact CG-CZ 4.39Å |
| 585 | T | 90.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.6 | -35.4 | 175.4 | 65.9 | 0 | 0 | 0 | 0 | 112.4 | F581 H582 W583 L587 A588 V589 W630 F710 Q714 | F581-T585 HydrophobicContact CD1-CG2 3.51Å; F581-T585 HydrophobicContact CE1-CG2 3.44Å; F581-T585 VanDerWaalsContact CE1-CG2 3.44Å; F581-T585 HydrophobicContact CZ-CG2 4.37Å; F581-T585 WeakPolarHBondContact O-CG2 3.49Å; F581-T585 PolarHBondContact O-N 3.3Å; H582-T585 PolarHBondContact O-N 3.03Å; H582-T585 VanDerWaalsContact O-N 3.1Å; H582-T585 PolarHBondContact O-OG1 3.42Å; W583-T585 VanDerWaalsContact C-N 3.33Å; W583-T585 PolarHBondContact O-N 2.81Å; T585-L587 VanDerWaalsContact C-N 3.34Å; T585-A588 PolarHBondContact O-N 3.28Å; T585-V589 WeakPolarHBondContact O-CG2 3.32Å; T585-V589 PolarHBondContact O-N 3.48Å; T585-W630 WeakPolarHBondContact OG1-CH2 3.44Å; T585-F710 HydrophobicContact CG2-CB 3.95Å; T585-F710 HydrophobicContact CG2-CD1 4.07Å; T585-F710 HydrophobicContact CG2-CG 4.49Å; T585-Q714 HydrophobicContact CG2-CB 3.64Å; T585-Q714 HydrophobicContact CG2-CG 4.08Å |
| 586 | M | 89 | Confident | 86.5 | Confident | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.015 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.5 | -37.6 | 174.1 | -63.5 | -61.1 | 81.9 | 0 | 0 | 111.5 | H582 W583 A588 V589 F590 F611 L612 W630 | H582-M586 WeakPolarHBondContact O-CG 3.17Å; H582-M586 PolarHBondContact O-N 3.05Å; W583-M586 PolarHBondContact O-N 3.25Å; M586-A588 VanDerWaalsContact C-N 3.33Å; M586-A588 PolarHBondContact O-N 3.09Å; M586-V589 HydrophobicContact CE-CG2 4Å; M586-V589 PolarHBondContact O-N 3.36Å; M586-F590 VanDerWaalsContact O-CB 3.24Å; M586-F590 WeakPolarHBondContact O-CB 3.47Å; M586-F590 PolarHBondContact O-N 2.81Å; M586-F611 HydrophobicContact SD-CB 3.26Å; M586-F611 WeakPolarHBondContact SD-CB 3.45Å; M586-F611 HydrophobicContact SD-CD2 4.37Å; M586-F611 HydrophobicContact SD-CG 3.87Å; M586-L612 HydrophobicContact CB-CD2 4.29Å; M586-W630 HydrophobicContact CE-CH2 3.31Å; M586-W630 HydrophobicContact CE-CZ2 4.28Å; M586-W630 HydrophobicContact CE-CZ3 3.68Å; M586-W630 HydrophobicContact SD-CZ3 4.5Å |
| 587 | L | 87.8 | Confident | 86.3 | Confident | 76 Ų | 76 | 31 Ų | 31 | 40% | 0.398 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -61.9 | -40.3 | 171.4 | -175.6 | 65.8 | 0 | 0 | 0 | 111.7 | W583 L584 T585 F590 A591 M1104 | W583-L587 PolarHBondContact O-N 2.95Å; L584-L587 HydrophobicContact CD1-CD2 4.47Å; L584-L587 WeakPolarHBondContact O-CB 3.46Å; L584-L587 PolarHBondContact O-N 3.3Å; T585-L587 VanDerWaalsContact C-N 3.34Å; L587-F590 PolarHBondContact O-N 3.12Å; L587-A591 VanDerWaalsContact O-CB 3.27Å; L587-A591 WeakPolarHBondContact O-CB 3.4Å; L587-A591 PolarHBondContact O-N 3.48Å; L587-M1104 HydrophobicContact CD1-CE 4.37Å; L587-M1104 HydrophobicContact CD1-SD 4.43Å |
| 588 | A | 88.9 | Confident | 86.2 | Confident | 12 Ų | 12 | 28.3 Ų | 28.3 | 10% | 0.099 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66 | -40.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L584 T585 M586 A591 A592 F710 | L584-A588 PolarHBondContact O-N 3.36Å; T585-A588 PolarHBondContact O-N 3.28Å; M586-A588 VanDerWaalsContact C-N 3.33Å; M586-A588 PolarHBondContact O-N 3.09Å; A588-A591 PolarHBondContact O-N 3.04Å; A588-A592 PolarHBondContact O-N 3Å; A588-F710 HydrophobicContact CB-CB 4.02Å; A588-F710 HydrophobicContact CB-CD2 3.57Å; A588-F710 HydrophobicContact CB-CE2 4.18Å; A588-F710 HydrophobicContact CB-CG 3.79Å |
| 589 | V | 91.1 | Very high | 86.1 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.006 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.3 | -43 | 173.9 | 175.9 | 0 | 0 | 0 | 0 | 110.5 | T585 M586 A592 G593 Y604 A608 L633 L711 | T585-V589 WeakPolarHBondContact O-CG2 3.32Å; T585-V589 PolarHBondContact O-N 3.48Å; M586-V589 HydrophobicContact CE-CG2 4Å; M586-V589 PolarHBondContact O-N 3.36Å; V589-A592 PolarHBondContact O-N 3.04Å; V589-G593 PolarHBondContact O-N 3.28Å; V589-Y604 HydrophobicContact CG1-CD1 4.32Å; V589-A608 HydrophobicContact CG1-CB 4.19Å; V589-L633 HydrophobicContact CG2-CD2 4.04Å; V589-L711 HydrophobicContact CG2-CD2 3.92Å; V589-L711 HydrophobicContact CG2-CG 4.46Å |
| 590 | F | 89.3 | Confident | 86.3 | Confident | 7 Ų | 7 | 26.9 Ų | 26.9 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.2 | -40.8 | 177.1 | -169.9 | -95.1 | 0 | 0 | 0 | 112 | M586 L587 A592 G593 V594 L605 A608 F609 I1100 L1103 | M586-F590 VanDerWaalsContact O-CB 3.24Å; M586-F590 WeakPolarHBondContact O-CB 3.47Å; M586-F590 PolarHBondContact O-N 2.81Å; L587-F590 PolarHBondContact O-N 3.12Å; F590-A592 VanDerWaalsContact C-N 3.33Å; F590-A592 PolarHBondContact O-N 3.24Å; F590-G593 CarbonylContact O-C 3.47Å; F590-G593 WeakPolarHBondContact O-CA 3.43Å; F590-G593 PolarHBondContact O-N 3.47Å; F590-V594 HydrophobicContact CD1-CG2 4.14Å; F590-V594 HydrophobicContact CE1-CG2 3.64Å; F590-V594 HydrophobicContact CZ-CG2 3.96Å; F590-V594 WeakPolarHBondContact O-CG2 3.25Å; F590-V594 PolarHBondContact O-N 3.08Å; F590-L605 HydrophobicContact CD2-CD1 4.04Å; F590-L605 HydrophobicContact CE2-CD1 3.45Å; F590-L605 VanDerWaalsContact CE2-CD1 3.45Å; F590-L605 HydrophobicContact CZ-CD1 4.1Å; F590-A608 HydrophobicContact CB-CB 4.12Å; F590-A608 HydrophobicContact CD2-CB 3.87Å; F590-F609 HydrophobicContact CD2-CE1 4.38Å; F590-F609 AromaticContact CE2-CE1 3.65Å; F590-F609 HydrophobicContact CE2-CE1 3.65Å; F590-F609 HydrophobicContact CE2-CZ 4.15Å; F590-I1100 HydrophobicContact CD1-CG2 4.09Å; F590-I1100 HydrophobicContact CE1-CB 4Å; F590-I1100 HydrophobicContact CE1-CD1 3.75Å; F590-I1100 HydrophobicContact CE1-CG1 3.49Å; F590-I1100 VanDerWaalsContact CE1-CG1 3.49Å; F590-I1100 HydrophobicContact CE1-CG2 3.39Å; F590-I1100 HydrophobicContact CZ-CB 4.46Å; F590-I1100 HydrophobicContact CZ-CD1 4.28Å; F590-I1100 HydrophobicContact CZ-CG1 3.73Å; F590-I1100 HydrophobicContact CZ-CG2 4.22Å; F590-L1103 HydrophobicContact CE2-CD2 4.16Å; F590-L1103 HydrophobicContact CZ-CD2 4.34Å |
| 591 | A | 85.5 | Confident | 86.4 | Confident | 39 Ų | 39 | 22.5 Ų | 22.5 | 32% | 0.322 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -62.4 | -37.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L587 A588 G593 V594 G595 | L587-A591 VanDerWaalsContact O-CB 3.27Å; L587-A591 WeakPolarHBondContact O-CB 3.4Å; L587-A591 PolarHBondContact O-N 3.48Å; A588-A591 PolarHBondContact O-N 3.04Å; A591-G593 VanDerWaalsContact C-N 3.28Å; A591-G593 PolarHBondContact O-N 3.31Å; A591-V594 PolarHBondContact O-N 3.13Å; A591-G595 WeakPolarHBondContact O-CA 3.28Å; A591-G595 PolarHBondContact O-N 3.26Å |
| 592 | A | 87.1 | Confident | 86.4 | Confident | 6 Ų | 6 | 24.2 Ų | 24.2 | 5% | 0.05 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66 | -30.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A588 V589 F590 Y604 C707 | A588-A592 PolarHBondContact O-N 3Å; V589-A592 PolarHBondContact O-N 3.04Å; F590-A592 VanDerWaalsContact C-N 3.33Å; F590-A592 PolarHBondContact O-N 3.24Å; A592-Y604 HydrophobicContact CB-CD2 3.99Å; A592-Y604 HydrophobicContact CB-CE2 4.26Å; A592-Y604 HydrophobicContact CB-CG 4.18Å; A592-C707 HydrophobicContact CB-CB 3.98Å |
| 593 | G | 85.9 | Confident | 86.6 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -74.9 | -25.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115 | V589 F590 A591 A601 F1062 | V589-G593 PolarHBondContact O-N 3.28Å; F590-G593 CarbonylContact O-C 3.47Å; F590-G593 WeakPolarHBondContact O-CA 3.43Å; F590-G593 PolarHBondContact O-N 3.47Å; A591-G593 VanDerWaalsContact C-N 3.28Å; A591-G593 PolarHBondContact O-N 3.31Å; G593-A601 WeakPolarHBondContact CA-O 3.25Å; G593-F1062 WeakPolarHBondContact O-CE2 2.96Å |
| 594 | V | 83.9 | Confident | 86.8 | Confident | 45 Ų | 45 | 22.6 Ų | 22.6 | 27% | 0.273 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -100.1 | -25.8 | 179.4 | 178.2 | 0 | 0 | 0 | 0 | 112.4 | F590 A591 G596 I1100 | F590-V594 HydrophobicContact CD1-CG2 4.14Å; F590-V594 HydrophobicContact CE1-CG2 3.64Å; F590-V594 HydrophobicContact CZ-CG2 3.96Å; F590-V594 WeakPolarHBondContact O-CG2 3.25Å; F590-V594 PolarHBondContact O-N 3.08Å; A591-V594 PolarHBondContact O-N 3.13Å; V594-G596 PolarHBondContact O-N 3.11Å; V594-I1100 HydrophobicContact CB-CD1 4.41Å; V594-I1100 HydrophobicContact CG1-CD1 3.86Å; V594-I1100 HydrophobicContact CG2-CD1 3.8Å |
| 595 | G | 75.8 | Confident | 86.9 | Confident | 30 Ų | 30 | 18.9 Ų | 18.9 | 31% | 0.309 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -63.2 | -13.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | A591 | A591-G595 WeakPolarHBondContact O-CA 3.28Å; A591-G595 PolarHBondContact O-N 3.26Å |
| 596 | G | 76.2 | Confident | 86.9 | Confident | 10 Ų | 10 | 22.5 Ų | 22.5 | 10% | 0.103 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -158.3 | 158.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V594 A601 | V594-G596 PolarHBondContact O-N 3.11Å; G596-A601 WeakPolarHBondContact O-CB 3.37Å |
| 597 | I | 80.5 | Confident | 87 | Confident | 17 Ų | 17 | 23.4 Ų | 23.4 | 9% | 0.087 | 15% | 0.154 | C | C | . | . | trans | -99 | 90.6 | 179.3 | -61.3 | 157.3 | 0 | 0 | 0 | 107.9 | S670 Q1065 F1066 | I597-S670 PolarHBondContact O-OG 3.25Å; I597-Q1065 HydrophobicContact CD1-CB 3.6Å; I597-Q1065 HydrophobicContact CD1-CG 4.22Å; I597-Q1065 HydrophobicContact CG1-CB 4.15Å; I597-Q1065 HydrophobicContact CG2-CB 4.27Å; I597-F1066 HydrophobicContact CG2-CD1 3.66Å; I597-F1066 HydrophobicContact CG2-CE1 3.61Å; I597-F1066 HydrophobicContact CG2-CG 4.16Å; I597-F1066 HydrophobicContact CG2-CZ 4.06Å | ||
| 598 | S | 86.3 | Confident | 87.1 | Confident | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.014 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -144 | 159.6 | 178.1 | 65.5 | 0 | 0 | 0 | 0 | 111.1 | F600 A601 F602 L668 | S598-F600 PolarHBondContact O-N 3.32Å; S598-A601 WeakPolarHBondContact O-CB 3.5Å; S598-A601 PolarHBondContact O-N 3.01Å; S598-A601 WeakPolarHBondContact OG-CB 3.48Å; S598-A601 PolarHBondContact OG-N 3.25Å; S598-F602 PolarHBondContact O-N 3.3Å; S598-L668 WeakPolarHBondContact CA-O 3.31Å |
| 599 | A | 87.4 | Confident | 87.1 | Confident | 34 Ų | 34 | 20 Ų | 20 | 28% | 0.281 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -57.6 | -30.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F602 G603 L668 F669 | A599-F602 WeakPolarHBondContact O-CB 3.4Å; A599-G603 PolarHBondContact O-N 3.41Å; A599-L668 HydrophobicContact CB-CD1 4.24Å; A599-L668 HydrophobicContact CB-CG 4.25Å; A599-L668 PolarHBondContact N-O 3.33Å; A599-F669 HydrophobicContact CB-CD1 4.29Å; A599-F669 HydrophobicContact CB-CE1 4.18Å |
| 600 | F | 89.4 | Confident | 87 | Confident | 17 Ų | 17 | 22 Ų | 22 | 8% | 0.075 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.4 | -39.5 | 174 | -52.6 | -60.1 | 0 | 0 | 0 | 112.1 | S598 F602 G603 Y604 Y636 A640 L643 K644 L647 F669 | S598-F600 PolarHBondContact O-N 3.32Å; F600-F602 VanDerWaalsContact C-N 3.29Å; F600-F602 PolarHBondContact O-N 2.97Å; F600-G603 PolarHBondContact O-N 3.46Å; F600-Y604 WeakPolarHBondContact O-CD2 3.42Å; F600-Y604 PolarHBondContact O-N 3.24Å; F600-Y636 WeakPolarHBondContact CA-OH 3.38Å; F600-Y636 PolarHBondContact O-OH 3.36Å; F600-A640 HydrophobicContact CB-CB 4.34Å; F600-A640 HydrophobicContact CD1-CB 4.48Å; F600-L643 HydrophobicContact CD1-CD1 4.47Å; F600-L643 HydrophobicContact CE1-CB 3.91Å; F600-L643 HydrophobicContact CE1-CD1 3.54Å; F600-L643 HydrophobicContact CE1-CG 4.37Å; F600-L643 HydrophobicContact CZ-CB 3.73Å; F600-L643 HydrophobicContact CZ-CD1 4.1Å; F600-K644 HydrophobicContact CD2-CG 4.08Å; F600-K644 HydrophobicContact CE2-CG 4.24Å; F600-L647 HydrophobicContact CE2-CD1 3.76Å; F600-L647 HydrophobicContact CZ-CD1 3.99Å; F600-F669 AromaticContact CE2-CD1 3.81Å; F600-F669 HydrophobicContact CE2-CD1 3.81Å; F600-F669 AromaticContact CZ-CD1 3.72Å; F600-F669 HydrophobicContact CZ-CD1 3.72Å; F600-F669 HydrophobicContact CZ-CE1 4.09Å |
| 601 | A | 88.2 | Confident | 87.1 | Confident | 2 Ų | 2 | 23 Ų | 23 | 2% | 0.017 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.1 | -38 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | G593 G596 S598 G603 Y604 L605 F1062 | G593-A601 WeakPolarHBondContact CA-O 3.25Å; G596-A601 WeakPolarHBondContact O-CB 3.37Å; S598-A601 WeakPolarHBondContact O-CB 3.5Å; S598-A601 PolarHBondContact O-N 3.01Å; S598-A601 WeakPolarHBondContact OG-CB 3.48Å; S598-A601 PolarHBondContact OG-N 3.25Å; A601-G603 VanDerWaalsContact C-N 3.3Å; A601-G603 PolarHBondContact O-N 3.43Å; A601-Y604 PolarHBondContact O-N 2.92Å; A601-Y604 VanDerWaalsContact O-N 3.14Å; A601-L605 PolarHBondContact O-N 2.9Å; A601-F1062 HydrophobicContact CB-CE2 4.35Å; A601-F1062 HydrophobicContact CB-CZ 4.1Å |
| 602 | F | 89.9 | Confident | 87.2 | Confident | 75 Ų | 75 | 21.4 Ų | 21.4 | 33% | 0.329 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -58 | -39.7 | 174.9 | -174.5 | -109.8 | 0 | 0 | 0 | 113 | S598 A599 F600 Y604 L605 V606 V1059 F1062 | S598-F602 PolarHBondContact O-N 3.3Å; A599-F602 WeakPolarHBondContact O-CB 3.4Å; F600-F602 VanDerWaalsContact C-N 3.29Å; F600-F602 PolarHBondContact O-N 2.97Å; F602-Y604 PolarHBondContact O-N 3.29Å; F602-L605 HydrophobicContact CD2-CD2 4.44Å; F602-L605 WeakPolarHBondContact O-CB 3.19Å; F602-L605 PolarHBondContact O-N 3.1Å; F602-V606 HydrophobicContact CD1-CG2 4.22Å; F602-V606 HydrophobicContact CE1-CG2 3.79Å; F602-V606 HydrophobicContact CE2-CG2 4.27Å; F602-V606 HydrophobicContact CZ-CG2 3.82Å; F602-V606 WeakPolarHBondContact O-CG2 3.45Å; F602-V606 PolarHBondContact O-N 3.32Å; F602-V1059 HydrophobicContact CE2-CG1 4.1Å; F602-F1062 HydrophobicContact CB-CE1 3.75Å; F602-F1062 HydrophobicContact CB-CZ 4.17Å; F602-F1062 AromaticContact CD2-CD1 3.88Å; F602-F1062 HydrophobicContact CD2-CD1 3.88Å; F602-F1062 AromaticContact CD2-CE1 3.84Å; F602-F1062 HydrophobicContact CD2-CE1 3.84Å; F602-F1062 HydrophobicContact CG-CE1 4.25Å |
| 603 | G | 90.5 | Very high | 87.2 | Confident | 18 Ų | 18 | 24.6 Ų | 24.6 | 19% | 0.186 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.7 | -32.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A599 F600 A601 A607 Y636 | A599-G603 PolarHBondContact O-N 3.41Å; F600-G603 PolarHBondContact O-N 3.46Å; A601-G603 VanDerWaalsContact C-N 3.3Å; A601-G603 PolarHBondContact O-N 3.43Å; G603-A607 WeakPolarHBondContact O-CB 3.39Å; G603-A607 PolarHBondContact O-N 2.87Å; G603-Y636 VanDerWaalsContact CA-OH 3.26Å; G603-Y636 WeakPolarHBondContact CA-OH 3.43Å |
| 604 | Y | 92.1 | Very high | 87.2 | Confident | 1 Ų | 1 | 30 Ų | 30 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.5 | -39.4 | 169.3 | -65.9 | -61.1 | 0 | 0 | 0 | 112.2 | V589 A592 F600 A601 F602 A607 A608 Y636 N637 D704 | V589-Y604 HydrophobicContact CG1-CD1 4.32Å; A592-Y604 HydrophobicContact CB-CD2 3.99Å; A592-Y604 HydrophobicContact CB-CE2 4.26Å; A592-Y604 HydrophobicContact CB-CG 4.18Å; F600-Y604 WeakPolarHBondContact O-CD2 3.42Å; F600-Y604 PolarHBondContact O-N 3.24Å; A601-Y604 PolarHBondContact O-N 2.92Å; A601-Y604 VanDerWaalsContact O-N 3.14Å; F602-Y604 PolarHBondContact O-N 3.29Å; Y604-A607 PolarHBondContact O-N 3.13Å; Y604-A608 WeakPolarHBondContact O-CB 3.23Å; Y604-A608 PolarHBondContact O-N 3.42Å; Y604-Y636 AromaticContact CD1-CD1 3.94Å; Y604-Y636 HydrophobicContact CD1-CD1 3.94Å; Y604-Y636 AromaticContact CD1-CE1 3.77Å; Y604-Y636 HydrophobicContact CD1-CE1 3.77Å; Y604-Y636 HydrophobicContact CD2-CE1 4.36Å; Y604-Y636 AromaticContact CE1-CD1 3.74Å; Y604-Y636 HydrophobicContact CE1-CD1 3.74Å; Y604-Y636 AromaticContact CE1-CE1 3.77Å; Y604-Y636 HydrophobicContact CE1-CE1 3.77Å; Y604-Y636 HydrophobicContact CE2-CE1 4.34Å; Y604-Y636 HydrophobicContact CG-CE1 4.08Å; Y604-N637 HydrophobicContact CE1-CB 4.03Å; Y604-N637 WeakPolarHBondContact OH-CA 3.03Å; Y604-N637 PolarHBondContact OH-ND2 2.76Å; Y604-D704 WeakPolarHBondContact CE2-OD1 3.32Å; Y604-D704 VanDerWaalsContact CZ-OD1 3.27Å; Y604-D704 PolarHBondContact OH-OD1 3.18Å |
| 605 | L | 89.6 | Confident | 87.1 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.6 | -48.8 | 177 | -171.6 | 73.3 | 0 | 0 | 0 | 111 | F590 A601 F602 A607 A608 F609 I1058 V1059 F1062 | F590-L605 HydrophobicContact CD2-CD1 4.04Å; F590-L605 HydrophobicContact CE2-CD1 3.45Å; F590-L605 VanDerWaalsContact CE2-CD1 3.45Å; F590-L605 HydrophobicContact CZ-CD1 4.1Å; A601-L605 PolarHBondContact O-N 2.9Å; F602-L605 HydrophobicContact CD2-CD2 4.44Å; F602-L605 WeakPolarHBondContact O-CB 3.19Å; F602-L605 PolarHBondContact O-N 3.1Å; L605-A607 VanDerWaalsContact C-N 3.35Å; L605-A607 PolarHBondContact O-N 3.31Å; L605-A608 PolarHBondContact O-N 3.18Å; L605-F609 HydrophobicContact CD1-CE1 4.21Å; L605-F609 HydrophobicContact CD1-CE2 4.03Å; L605-F609 HydrophobicContact CD1-CZ 3.64Å; L605-F609 HydrophobicContact CD2-CE2 4.01Å; L605-F609 HydrophobicContact CD2-CZ 4.3Å; L605-F609 HydrophobicContact CG-CD2 4.31Å; L605-F609 HydrophobicContact CG-CE2 3.62Å; L605-F609 HydrophobicContact CG-CZ 3.79Å; L605-F609 WeakPolarHBondContact O-CG 3.37Å; L605-F609 PolarHBondContact O-N 2.01Å; L605-I1058 HydrophobicContact CD1-CG2 4.37Å; L605-I1058 HydrophobicContact CD2-CG2 4.48Å; L605-V1059 HydrophobicContact CD2-CG2 4.23Å; L605-F1062 HydrophobicContact CD2-CB 4.48Å; L605-F1062 HydrophobicContact CD2-CG 4.35Å |
| 606 | V | 90.8 | Very high | 87.3 | Confident | 76 Ų | 76 | 27.6 Ų | 27.6 | 46% | 0.461 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61.7 | -42.7 | 176.4 | 173.6 | 0 | 0 | 0 | 0 | 111.4 | F602 G610 | F602-V606 HydrophobicContact CD1-CG2 4.22Å; F602-V606 HydrophobicContact CE1-CG2 3.79Å; F602-V606 HydrophobicContact CE2-CG2 4.27Å; F602-V606 HydrophobicContact CZ-CG2 3.82Å; F602-V606 WeakPolarHBondContact O-CG2 3.45Å; F602-V606 PolarHBondContact O-N 3.32Å; V606-G610 PolarHBondContact O-N 2.88Å |
| 607 | A | 90.3 | Very high | 87.5 | Confident | 22 Ų | 22 | 30.5 Ų | 30.5 | 18% | 0.182 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.3 | -45.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | G603 Y604 L605 F609 G610 F611 L633 | G603-A607 WeakPolarHBondContact O-CB 3.39Å; G603-A607 PolarHBondContact O-N 2.87Å; Y604-A607 PolarHBondContact O-N 3.13Å; L605-A607 VanDerWaalsContact C-N 3.35Å; L605-A607 PolarHBondContact O-N 3.31Å; A607-F609 PolarHBondContact O-N 3.44Å; A607-G610 PolarHBondContact O-N 3.03Å; A607-F611 WeakPolarHBondContact O-CD2 3.38Å; A607-F611 PolarHBondContact O-N 2.82Å; A607-L633 HydrophobicContact CB-CD1 3.67Å |
| 608 | A | 90.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.5 | -49.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V589 F590 Y604 L605 G610 F611 L612 | V589-A608 HydrophobicContact CG1-CB 4.19Å; F590-A608 HydrophobicContact CB-CB 4.12Å; F590-A608 HydrophobicContact CD2-CB 3.87Å; Y604-A608 WeakPolarHBondContact O-CB 3.23Å; Y604-A608 PolarHBondContact O-N 3.42Å; L605-A608 PolarHBondContact O-N 3.18Å; A608-G610 PolarHBondContact O-N 2.88Å; A608-F611 PolarHBondContact O-N 2.95Å; A608-L612 WeakPolarHBondContact O-CB 3.36Å; A608-L612 VanDerWaalsContact O-CG 3.22Å; A608-L612 WeakPolarHBondContact O-CG 3.48Å; A608-L612 PolarHBondContact O-N 3.05Å |
| 609 | F | 90.1 | Very high | 87.2 | Confident | 18 Ų | 18 | 30.5 Ų | 30.5 | 8% | 0.079 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.1 | -45.8 | 175.5 | -62 | -29.1 | 0 | 0 | 0 | 111.9 | F590 L605 A607 F611 L612 W613 E1055 I1058 V1059 L1103 | F590-F609 HydrophobicContact CD2-CE1 4.38Å; F590-F609 AromaticContact CE2-CE1 3.65Å; F590-F609 HydrophobicContact CE2-CE1 3.65Å; F590-F609 HydrophobicContact CE2-CZ 4.15Å; L605-F609 HydrophobicContact CD1-CE1 4.21Å; L605-F609 HydrophobicContact CD1-CE2 4.03Å; L605-F609 HydrophobicContact CD1-CZ 3.64Å; L605-F609 HydrophobicContact CD2-CE2 4.01Å; L605-F609 HydrophobicContact CD2-CZ 4.3Å; L605-F609 HydrophobicContact CG-CD2 4.31Å; L605-F609 HydrophobicContact CG-CE2 3.62Å; L605-F609 HydrophobicContact CG-CZ 3.79Å; L605-F609 WeakPolarHBondContact O-CG 3.37Å; L605-F609 PolarHBondContact O-N 2.01Å; A607-F609 PolarHBondContact O-N 3.44Å; F609-F611 VanDerWaalsContact C-N 3.31Å; F609-F611 PolarHBondContact O-N 3.4Å; F609-L612 PolarHBondContact O-N 2.93Å; F609-W613 VanDerWaalsContact O-CD1 3.25Å; F609-W613 PolarHBondContact O-N 2.83Å; F609-E1055 HydrophobicContact CD1-CG 4.02Å; F609-E1055 HydrophobicContact CD2-CG 4.48Å; F609-E1055 HydrophobicContact CE1-CG 4.05Å; F609-E1055 HydrophobicContact CE2-CB 4.38Å; F609-E1055 HydrophobicContact CE2-CG 4.49Å; F609-E1055 HydrophobicContact CG-CG 4.26Å; F609-E1055 HydrophobicContact CZ-CB 4.46Å; F609-E1055 HydrophobicContact CZ-CG 4.29Å; F609-I1058 HydrophobicContact CZ-CB 4.43Å; F609-I1058 HydrophobicContact CZ-CG2 4.13Å; F609-V1059 HydrophobicContact CE2-CG2 3.81Å; F609-L1103 HydrophobicContact CD1-CD2 4.2Å; F609-L1103 HydrophobicContact CE1-CD2 3.54Å |
| 610 | G | 89.3 | Confident | 86.4 | Confident | 42 Ų | 42 | 31 Ų | 31 | 43% | 0.433 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -57.5 | -40.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V606 A607 A608 K614 | V606-G610 PolarHBondContact O-N 2.88Å; A607-G610 PolarHBondContact O-N 3.03Å; A608-G610 PolarHBondContact O-N 2.88Å; G610-K614 PolarHBondContact O-N 3.49Å |
| 611 | F | 89.7 | Confident | 85.7 | Confident | 27 Ų | 27 | 34.8 Ų | 34.8 | 12% | 0.118 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -76.3 | -37.9 | 176.6 | -78.6 | -74 | 0 | 0 | 0 | 113.1 | M586 A607 A608 F609 W613 K614 G615 M618 W630 L633 | M586-F611 HydrophobicContact SD-CB 3.26Å; M586-F611 WeakPolarHBondContact SD-CB 3.45Å; M586-F611 HydrophobicContact SD-CD2 4.37Å; M586-F611 HydrophobicContact SD-CG 3.87Å; A607-F611 WeakPolarHBondContact O-CD2 3.38Å; A607-F611 PolarHBondContact O-N 2.82Å; A608-F611 PolarHBondContact O-N 2.95Å; F609-F611 VanDerWaalsContact C-N 3.31Å; F609-F611 PolarHBondContact O-N 3.4Å; F611-W613 VanDerWaalsContact C-N 3.32Å; F611-W613 PolarHBondContact O-N 3.27Å; F611-K614 PolarHBondContact O-N 3.21Å; F611-G615 PolarHBondContact O-N 2.87Å; F611-M618 HydrophobicContact CD1-SD 4.18Å; F611-M618 HydrophobicContact CE1-SD 3.97Å; F611-W630 HydrophobicContact CD1-CE3 4.46Å; F611-W630 HydrophobicContact CD1-CZ3 4.27Å; F611-W630 AromaticContact CE1-CE3 3.93Å; F611-W630 HydrophobicContact CE1-CE3 3.93Å; F611-W630 HydrophobicContact CE1-CZ3 4.19Å; F611-W630 HydrophobicContact CZ-CE3 4.26Å; F611-L633 HydrophobicContact CD2-CD2 4.02Å; F611-L633 HydrophobicContact CE2-CB 4.06Å; F611-L633 HydrophobicContact CE2-CD2 3.57Å; F611-L633 HydrophobicContact CE2-CG 4.27Å; F611-L633 HydrophobicContact CZ-CB 4.33Å; F611-L633 HydrophobicContact CZ-CD2 4.25Å |
| 612 | L | 87.5 | Confident | 85 | Confident | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63 | -37.5 | 174.8 | -72.5 | 170.1 | 0 | 0 | 0 | 111.8 | W583 M586 A608 F609 K614 F1107 R1110 | W583-L612 HydrophobicContact CE3-CD2 4.13Å; W583-L612 HydrophobicContact CZ3-CD2 3.82Å; M586-L612 HydrophobicContact CB-CD2 4.29Å; A608-L612 WeakPolarHBondContact O-CB 3.36Å; A608-L612 VanDerWaalsContact O-CG 3.22Å; A608-L612 WeakPolarHBondContact O-CG 3.48Å; A608-L612 PolarHBondContact O-N 3.05Å; F609-L612 PolarHBondContact O-N 2.93Å; L612-K614 PolarHBondContact O-N 2.87Å; L612-F1107 HydrophobicContact CB-CD1 4.06Å; L612-F1107 HydrophobicContact CB-CD2 4.22Å; L612-F1107 HydrophobicContact CB-CE1 3.67Å; L612-F1107 HydrophobicContact CB-CE2 3.83Å; L612-F1107 HydrophobicContact CB-CG 4.34Å; L612-F1107 HydrophobicContact CB-CZ 3.56Å; L612-F1107 HydrophobicContact CD1-CD2 4Å; L612-F1107 HydrophobicContact CD1-CE2 3.8Å; L612-F1107 HydrophobicContact CD1-CZ 4.37Å; L612-F1107 HydrophobicContact CD2-CD2 4.45Å; L612-F1107 HydrophobicContact CD2-CG 4.43Å; L612-F1107 HydrophobicContact CG-CD2 4.46Å; L612-F1107 HydrophobicContact CG-CE2 4.34Å; L612-F1107 WeakPolarHBondContact O-CE1 3.03Å; L612-R1110 PolarHBondContact O-NH1 2.76Å; L612-R1110 VanDerWaalsContact O-NH1 3.14Å |
| 613 | W | 87.9 | Confident | 84.1 | Confident | 73 Ų | 73 | 34.9 Ų | 34.9 | 28% | 0.277 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.3 | -40.9 | 174.1 | -90.1 | 96.5 | 0 | 0 | 0 | 112.9 | F609 F611 V1048 I1051 T1052 E1055 R1110 | F609-W613 VanDerWaalsContact O-CD1 3.25Å; F609-W613 PolarHBondContact O-N 2.83Å; F611-W613 VanDerWaalsContact C-N 3.32Å; F611-W613 PolarHBondContact O-N 3.27Å; W613-V1048 HydrophobicContact CH2-CG1 4.06Å; W613-V1048 HydrophobicContact CH2-CG2 4.46Å; W613-I1051 HydrophobicContact CH2-CG2 4.47Å; W613-I1051 HydrophobicContact CZ2-CB 4.37Å; W613-I1051 HydrophobicContact CZ2-CG2 3.75Å; W613-T1052 HydrophobicContact CH2-CG2 4.01Å; W613-T1052 HydrophobicContact CZ2-CG2 3.6Å; W613-E1055 VanDerWaalsContact NE1-CD 3.27Å; W613-E1055 PolarHBondContact NE1-OE1 3.4Å; W613-E1055 PolarHBondContact NE1-OE2 3.25Å; W613-R1110 PolarHBondContact O-NH1 2.92Å; W613-R1110 PolarHBondContact O-NH2 3.45Å |
| 614 | K | 86.3 | Confident | 83.6 | Confident | 113 Ų | 113 | 40.1 Ų | 40.1 | 49% | 0.491 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -77.2 | -40.1 | 177.5 | -67.3 | -62.6 | 177.1 | -163.4 | 0 | 112.8 | G610 F611 L612 D617 | G610-K614 PolarHBondContact O-N 3.49Å; F611-K614 PolarHBondContact O-N 3.21Å; L612-K614 PolarHBondContact O-N 2.87Å; K614-D617 VanDerWaalsContact O-CB 3.29Å; K614-D617 WeakPolarHBondContact O-CB 3.25Å; K614-D617 PolarHBondContact O-N 3.35Å |
| 615 | G | 81.2 | Confident | 83.1 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 5% | 0.052 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | 48.7 | -137.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | F611 D617 M618 | F611-G615 PolarHBondContact O-N 2.87Å; G615-D617 PolarHBondContact O-N 2.95Å; G615-M618 WeakPolarHBondContact O-CB 3.34Å; G615-M618 PolarHBondContact O-N 2.82Å |
| 616 | N | 80.4 | Confident | 82.8 | Confident | 21 Ų | 21 | 46.5 Ų | 46.5 | 11% | 0.112 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -66.2 | -19.7 | -179.7 | -69.5 | -3.6 | 0 | 0 | 0 | 114.1 | M618 Y619 I730 H1111 | N616-M618 PolarHBondContact O-N 2.9Å; N616-Y619 HydrophobicContact CB-CD2 4.2Å; N616-Y619 HydrophobicContact CB-CE2 4.45Å; N616-Y619 WeakPolarHBondContact O-CB 3.45Å; N616-Y619 WeakPolarHBondContact O-CD2 3.28Å; N616-Y619 PolarHBondContact O-N 3.05Å; N616-I730 HydrophobicContact CB-CD1 4.3Å; N616-I730 HydrophobicContact CB-CG2 4.28Å; N616-H1111 PolarHBondContact ND2-CE1 3.48Å; N616-H1111 VanDerWaalsContact ND2-CE1 3.27Å |
| 617 | D | 79.4 | Confident | 82.6 | Confident | 70 Ų | 70 | 43.4 Ų | 43.4 | 37% | 0.374 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -60.9 | -19.2 | 177.4 | -50.7 | -2.3 | 0 | 0 | 0 | 111.2 | K614 G615 Y619 L620 K1114 | K614-D617 VanDerWaalsContact O-CB 3.29Å; K614-D617 WeakPolarHBondContact O-CB 3.25Å; K614-D617 PolarHBondContact O-N 3.35Å; G615-D617 PolarHBondContact O-N 2.95Å; D617-Y619 PolarHBondContact O-N 3.07Å; D617-L620 HydrophobicContact CB-CD1 4.4Å; D617-L620 PolarHBondContact O-N 2.96Å; D617-K1114 IonicContact OD1-NZ 2.71Å; D617-K1114 PolarHBondContact OD1-NZ 2.94Å; D617-K1114 IonicContact OD2-NZ 3.16Å; D617-K1114 PolarHBondContact OD2-NZ 3.11Å |
| 618 | M | 81.6 | Confident | 82.4 | Confident | 10 Ų | 10 | 44.8 Ų | 44.8 | 5% | 0.049 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -60.6 | -32.5 | 173.1 | -175.9 | 174.7 | 70.2 | 0 | 0 | 112.9 | F611 G615 N616 L620 K621 F626 W630 F718 | F611-M618 HydrophobicContact CD1-SD 4.18Å; F611-M618 HydrophobicContact CE1-SD 3.97Å; G615-M618 WeakPolarHBondContact O-CB 3.34Å; G615-M618 PolarHBondContact O-N 2.82Å; N616-M618 PolarHBondContact O-N 2.9Å; M618-L620 VanDerWaalsContact C-N 3.35Å; M618-K621 PolarHBondContact O-N 3.04Å; M618-F626 HydrophobicContact CE-CB 4.44Å; M618-F626 HydrophobicContact CG-CB 3.36Å; M618-F626 HydrophobicContact CG-CG 4.22Å; M618-F626 HydrophobicContact SD-CB 3.85Å; M618-W630 HydrophobicContact CE-CE3 4.41Å; M618-W630 HydrophobicContact CE-CZ3 4.49Å; M618-F718 HydrophobicContact CE-CZ 4.09Å |
| 619 | Y | 78.5 | Confident | 82.3 | Confident | 9 Ų | 9 | 49.9 Ų | 49.9 | 4% | 0.035 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -80.5 | -16.2 | -176.1 | -53.8 | -43.1 | 0 | 0 | 0 | 114.1 | H582 N616 D617 K621 F718 F723 I730 | H582-Y619 VanDerWaalsContact CB-OH 3.25Å; H582-Y619 WeakPolarHBondContact CB-OH 2.98Å; H582-Y619 PolarHBondContact CD2-OH 3.25Å; H582-Y619 VanDerWaalsContact CD2-OH 3.31Å; H582-Y619 PolarHBondContact ND1-OH 3.46Å; N616-Y619 HydrophobicContact CB-CD2 4.2Å; N616-Y619 HydrophobicContact CB-CE2 4.45Å; N616-Y619 WeakPolarHBondContact O-CB 3.45Å; N616-Y619 WeakPolarHBondContact O-CD2 3.28Å; N616-Y619 PolarHBondContact O-N 3.05Å; D617-Y619 PolarHBondContact O-N 3.07Å; Y619-K621 PolarHBondContact O-N 3.38Å; Y619-F718 HydrophobicContact CD1-CE1 4.48Å; Y619-F718 HydrophobicContact CE1-CD1 4.34Å; Y619-F718 AromaticContact CE1-CE1 3.45Å; Y619-F718 HydrophobicContact CE1-CE1 3.45Å; Y619-F718 VanDerWaalsContact CE1-CE1 3.45Å; Y619-F718 AromaticContact CE1-CZ 3.82Å; Y619-F718 HydrophobicContact CE1-CZ 3.82Å; Y619-F718 AromaticContact CZ-CE1 3.89Å; Y619-F723 HydrophobicContact CD1-CE1 4.12Å; Y619-F723 AromaticContact CD1-CZ 3.62Å; Y619-F723 HydrophobicContact CD1-CZ 3.62Å; Y619-F723 HydrophobicContact CD2-CZ 4.27Å; Y619-F723 HydrophobicContact CE1-CE1 4.32Å; Y619-F723 HydrophobicContact CE1-CE2 4.44Å; Y619-F723 AromaticContact CE1-CZ 3.55Å; Y619-F723 HydrophobicContact CE1-CZ 3.55Å; Y619-F723 HydrophobicContact CE2-CZ 4.17Å; Y619-F723 AromaticContact CG-CZ 3.99Å; Y619-F723 HydrophobicContact CG-CZ 3.99Å; Y619-F723 AromaticContact CZ-CZ 3.81Å; Y619-I730 HydrophobicContact CD2-CD1 3.53Å; Y619-I730 HydrophobicContact CE2-CD1 4.05Å |
| 620 | L | 72.6 | Confident | 82.3 | Confident | 45 Ų | 45 | 49 Ų | 49 | 24% | 0.236 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -70.3 | -21.2 | 174.1 | -57.7 | 174 | 0 | 0 | 0 | 111.7 | D617 M618 I730 K731 Q734 | D617-L620 HydrophobicContact CB-CD1 4.4Å; D617-L620 PolarHBondContact O-N 2.96Å; M618-L620 VanDerWaalsContact C-N 3.35Å; L620-I730 HydrophobicContact CD2-CG2 4.34Å; L620-K731 HydrophobicContact CD2-CG 4.11Å; L620-Q734 VanDerWaalsContact CD1-CD 3.47Å |
| 621 | K | 73.7 | Confident | 82.4 | Confident | 96 Ų | 96 | 51.2 Ų | 51.2 | 42% | 0.417 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -81.2 | 153.9 | 175.7 | -64.6 | -170.9 | 178.9 | -168.8 | 0 | 110.9 | M618 Y619 A623 | M618-K621 PolarHBondContact O-N 3.04Å; Y619-K621 PolarHBondContact O-N 3.38Å; K621-A623 PolarHBondContact O-N 2.8Å |
| 622 | P | 72.9 | Confident | 82.5 | Confident | 43 Ų | 43 | 55.5 Ų | 55.5 | 28% | 0.279 | 27% | 0.267 | S | S | . | . | trans | -57 | 142 | 177.9 | 22.4 | -34.3 | 0 | 0 | 0 | 111.9 | K624 K625 | P622-K624 PolarHBondContact O-N 2.79Å; P622-K625 HydrophobicContact CG-CD 3.9Å; P622-K625 HydrophobicContact CG-CG 4.12Å; P622-K625 PolarHBondContact O-N 3.18Å | ||
| 623 | A | 72.7 | Confident | 82.7 | Confident | 37 Ų | 37 | 55.5 Ų | 55.5 | 31% | 0.306 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -52.2 | -36.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | K621 K625 F626 I627 | K621-A623 PolarHBondContact O-N 2.8Å; A623-K625 VanDerWaalsContact C-N 3.29Å; A623-K625 PolarHBondContact O-N 2.87Å; A623-F626 HydrophobicContact CB-CE1 3.95Å; A623-F626 HydrophobicContact CB-CZ 4.11Å; A623-I627 HydrophobicContact CB-CD1 4.37Å; A623-I627 WeakPolarHBondContact O-CB 3.3Å; A623-I627 WeakPolarHBondContact O-CD1 3.27Å; A623-I627 WeakPolarHBondContact O-CG1 3.25Å; A623-I627 PolarHBondContact O-N 3.01Å; A623-I627 VanDerWaalsContact O-N 3.12Å |
| 624 | K | 78.1 | Confident | 82.9 | Confident | 127 Ų | 127 | 52.1 Ų | 52.1 | 55% | 0.552 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -57.9 | -38.9 | 178 | -63.9 | -176.3 | -179 | 179.1 | 0 | 112.3 | D545 P622 A628 | D545-K624 IonicContact OD1-NZ 3.96Å; D545-K624 PolarHBondContact OD1-NZ 2.84Å; D545-K624 IonicContact OD2-NZ 3.93Å; D545-K624 PolarHBondContact OD2-NZ 3.15Å; P622-K624 PolarHBondContact O-N 2.79Å; K624-A628 WeakPolarHBondContact O-CB 3.37Å; K624-A628 PolarHBondContact O-N 3.41Å |
| 625 | K | 81.9 | Confident | 83.3 | Confident | 133 Ų | 133 | 49.7 Ų | 49.7 | 58% | 0.578 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -72.7 | -45.2 | -175.4 | -71.6 | -175.4 | -177.7 | 174.6 | 0 | 112.4 | P622 A623 R629 | P622-K625 HydrophobicContact CG-CD 3.9Å; P622-K625 HydrophobicContact CG-CG 4.12Å; P622-K625 PolarHBondContact O-N 3.18Å; A623-K625 VanDerWaalsContact C-N 3.29Å; A623-K625 PolarHBondContact O-N 2.87Å; K625-R629 PolarHBondContact O-N 2.81Å |
| 626 | F | 84.4 | Confident | 83.9 | Confident | 3 Ų | 3 | 52.9 Ų | 52.9 | 1% | 0.013 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -76.1 | -34.1 | -179.2 | 72.4 | -109 | 0 | 0 | 0 | 112.7 | M618 A623 A628 R629 W630 F718 F723 | M618-F626 HydrophobicContact CE-CB 4.44Å; M618-F626 HydrophobicContact CG-CB 3.36Å; M618-F626 HydrophobicContact CG-CG 4.22Å; M618-F626 HydrophobicContact SD-CB 3.85Å; A623-F626 HydrophobicContact CB-CE1 3.95Å; A623-F626 HydrophobicContact CB-CZ 4.11Å; F626-A628 VanDerWaalsContact C-N 3.28Å; F626-A628 PolarHBondContact O-N 2.85Å; F626-R629 PolarHBondContact O-N 2.77Å; F626-W630 PolarHBondContact O-N 3.46Å; F626-F718 HydrophobicContact CD2-CD2 4.33Å; F626-F718 HydrophobicContact CD2-CE2 4.45Å; F626-F718 HydrophobicContact CE2-CB 4.03Å; F626-F718 HydrophobicContact CE2-CD1 4.09Å; F626-F718 AromaticContact CE2-CD2 3.99Å; F626-F718 HydrophobicContact CE2-CD2 3.99Å; F626-F718 HydrophobicContact CE2-CE2 4.44Å; F626-F718 AromaticContact CE2-CG 3.8Å; F626-F718 HydrophobicContact CE2-CG 3.8Å; F626-F723 HydrophobicContact CZ-CE1 4.14Å |
| 627 | I | 85.7 | Confident | 84.6 | Confident | 11 Ų | 11 | 51.9 Ų | 51.9 | 6% | 0.056 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.6 | -39.3 | 173.1 | -68.7 | 171.1 | 0 | 0 | 0 | 110.4 | A541 A623 R629 W630 R631 L715 | A541-I627 HydrophobicContact CB-CD1 4.43Å; A623-I627 HydrophobicContact CB-CD1 4.37Å; A623-I627 WeakPolarHBondContact O-CB 3.3Å; A623-I627 WeakPolarHBondContact O-CD1 3.27Å; A623-I627 WeakPolarHBondContact O-CG1 3.25Å; A623-I627 PolarHBondContact O-N 3.01Å; A623-I627 VanDerWaalsContact O-N 3.12Å; I627-R629 PolarHBondContact O-N 3.24Å; I627-W630 PolarHBondContact O-N 3.19Å; I627-R631 WeakPolarHBondContact O-CG 3.43Å; I627-R631 PolarHBondContact O-N 3.3Å; I627-L715 HydrophobicContact CG2-CD1 4.03Å |
| 628 | A | 86.6 | Confident | 85.2 | Confident | 51 Ų | 51 | 48.6 Ų | 48.6 | 42% | 0.421 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.9 | -43.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K624 F626 R631 I632 | K624-A628 WeakPolarHBondContact O-CB 3.37Å; K624-A628 PolarHBondContact O-N 3.41Å; F626-A628 VanDerWaalsContact C-N 3.28Å; F626-A628 PolarHBondContact O-N 2.85Å; A628-R631 PolarHBondContact O-N 3.3Å; A628-I632 WeakPolarHBondContact O-CG1 3.09Å; A628-I632 PolarHBondContact O-N 3.47Å |
| 629 | R | 88.2 | Confident | 85.8 | Confident | 108 Ų | 108 | 51.7 Ų | 51.7 | 41% | 0.408 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.6 | -39.5 | 175.8 | -68.2 | 178 | 179.9 | -162 | -7.6 | 112.7 | K625 F626 I627 R631 I632 L633 | K625-R629 PolarHBondContact O-N 2.81Å; F626-R629 PolarHBondContact O-N 2.77Å; I627-R629 PolarHBondContact O-N 3.24Å; R629-R631 VanDerWaalsContact C-N 3.32Å; R629-R631 PolarHBondContact O-N 3.43Å; R629-I632 WeakPolarHBondContact O-CB 3.32Å; R629-I632 PolarHBondContact O-N 2.83Å; R629-L633 PolarHBondContact O-N 3Å |
| 630 | W | 90.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.7 | -37.6 | 176.7 | -159.3 | -97.1 | 0 | 0 | 0 | 112.3 | T585 M586 F611 M618 F626 I627 I632 L633 L634 L711 Q714 F718 | T585-W630 WeakPolarHBondContact OG1-CH2 3.44Å; M586-W630 HydrophobicContact CE-CH2 3.31Å; M586-W630 HydrophobicContact CE-CZ2 4.28Å; M586-W630 HydrophobicContact CE-CZ3 3.68Å; M586-W630 HydrophobicContact SD-CZ3 4.5Å; F611-W630 HydrophobicContact CD1-CE3 4.46Å; F611-W630 HydrophobicContact CD1-CZ3 4.27Å; F611-W630 AromaticContact CE1-CE3 3.93Å; F611-W630 HydrophobicContact CE1-CE3 3.93Å; F611-W630 HydrophobicContact CE1-CZ3 4.19Å; F611-W630 HydrophobicContact CZ-CE3 4.26Å; M618-W630 HydrophobicContact CE-CE3 4.41Å; M618-W630 HydrophobicContact CE-CZ3 4.49Å; F626-W630 PolarHBondContact O-N 3.46Å; I627-W630 PolarHBondContact O-N 3.19Å; W630-I632 VanDerWaalsContact C-N 3.31Å; W630-I632 PolarHBondContact O-N 2.88Å; W630-L633 PolarHBondContact O-N 2.76Å; W630-L634 PolarHBondContact O-N 3.15Å; W630-L711 HydrophobicContact CH2-CD2 4.33Å; W630-L711 HydrophobicContact CZ2-CD2 3.57Å; W630-L711 PolarHBondContact NE1-O 2.7Å; W630-Q714 HydrophobicContact CH2-CG 3.87Å; W630-Q714 HydrophobicContact CZ2-CB 3.67Å; W630-Q714 HydrophobicContact CZ2-CG 3.4Å; W630-F718 HydrophobicContact CB-CE2 4.46Å; W630-F718 AromaticContact CD2-CE2 3.7Å; W630-F718 HydrophobicContact CD2-CE2 3.7Å; W630-F718 AromaticContact CE3-CE2 3.9Å; W630-F718 HydrophobicContact CE3-CE2 3.9Å; W630-F718 HydrophobicContact CE3-CZ 4.36Å; W630-F718 HydrophobicContact CG-CD2 4.45Å; W630-F718 AromaticContact CG-CE2 3.96Å; W630-F718 HydrophobicContact CG-CE2 3.96Å; W630-F718 HydrophobicContact CZ2-CE2 4.48Å; W630-F718 HydrophobicContact CZ3-CE2 4.35Å; W630-F718 HydrophobicContact CZ3-CZ 4.41Å |
| 631 | R | 91.2 | Very high | 87.3 | Confident | 87 Ų | 87 | 49.2 Ų | 49.2 | 33% | 0.328 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.2 | -35.4 | 173.9 | -73.3 | 178.8 | -179.4 | -157.4 | -3 | 112.6 | I627 A628 R629 L633 L634 Y635 | I627-R631 WeakPolarHBondContact O-CG 3.43Å; I627-R631 PolarHBondContact O-N 3.3Å; A628-R631 PolarHBondContact O-N 3.3Å; R629-R631 VanDerWaalsContact C-N 3.32Å; R629-R631 PolarHBondContact O-N 3.43Å; R631-L633 VanDerWaalsContact C-N 3.32Å; R631-L633 PolarHBondContact O-N 2.92Å; R631-L634 PolarHBondContact O-N 2.76Å; R631-Y635 HydrophobicContact CB-CE2 4.12Å; R631-Y635 WeakPolarHBondContact O-CD2 3.43Å; R631-Y635 VanDerWaalsContact O-CG 3.27Å; R631-Y635 PolarHBondContact O-N 3.03Å |
| 632 | I | 91.9 | Very high | 88.2 | Confident | 117 Ų | 117 | 46.1 Ų | 46.1 | 60% | 0.6 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -59.8 | -44.7 | 174.4 | -64.8 | 168.6 | 0 | 0 | 0 | 110.5 | A628 R629 W630 Y635 Y636 | A628-I632 WeakPolarHBondContact O-CG1 3.09Å; A628-I632 PolarHBondContact O-N 3.47Å; R629-I632 WeakPolarHBondContact O-CB 3.32Å; R629-I632 PolarHBondContact O-N 2.83Å; W630-I632 VanDerWaalsContact C-N 3.31Å; W630-I632 PolarHBondContact O-N 2.88Å; I632-Y635 PolarHBondContact O-N 3.1Å; I632-Y636 PolarHBondContact O-N 3.44Å |
| 633 | L | 91.6 | Very high | 89.1 | Confident | 7 Ų | 7 | 47.6 Ų | 47.6 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.4 | -40.2 | 176.2 | -178.9 | 59.9 | 0 | 0 | 0 | 112.3 | V589 A607 F611 R629 W630 R631 Y636 N637 L711 | V589-L633 HydrophobicContact CG2-CD2 4.04Å; A607-L633 HydrophobicContact CB-CD1 3.67Å; F611-L633 HydrophobicContact CD2-CD2 4.02Å; F611-L633 HydrophobicContact CE2-CB 4.06Å; F611-L633 HydrophobicContact CE2-CD2 3.57Å; F611-L633 HydrophobicContact CE2-CG 4.27Å; F611-L633 HydrophobicContact CZ-CB 4.33Å; F611-L633 HydrophobicContact CZ-CD2 4.25Å; R629-L633 PolarHBondContact O-N 3Å; W630-L633 PolarHBondContact O-N 2.76Å; R631-L633 VanDerWaalsContact C-N 3.32Å; R631-L633 PolarHBondContact O-N 2.92Å; L633-Y636 WeakPolarHBondContact O-CB 3.35Å; L633-Y636 PolarHBondContact O-N 3.06Å; L633-N637 PolarHBondContact O-N 2.98Å; L633-N637 VanDerWaalsContact O-N 3.1Å; L633-L711 HydrophobicContact CD2-CD1 4.43Å; L633-L711 HydrophobicContact CD2-CD2 3.55Å; L633-L711 HydrophobicContact CG-CD1 4.07Å; L633-L711 HydrophobicContact CG-CD2 4.05Å |
| 634 | L | 93 | Very high | 89.9 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.8 | -43.3 | 175.1 | -175.6 | 66.1 | 0 | 0 | 0 | 111.8 | V438 W630 R631 N637 I638 F708 L711 I712 L715 | V438-L634 HydrophobicContact CG1-CD2 3.45Å; V438-L634 VanDerWaalsContact CG1-CD2 3.45Å; V438-L634 HydrophobicContact CG1-CG 4.19Å; W630-L634 PolarHBondContact O-N 3.15Å; R631-L634 PolarHBondContact O-N 2.76Å; L634-N637 PolarHBondContact O-N 3.19Å; L634-I638 HydrophobicContact CG-CD1 4.4Å; L634-I638 WeakPolarHBondContact O-CG1 3.25Å; L634-I638 PolarHBondContact O-N 3.3Å; L634-I638 VanDerWaalsContact O-N 3.14Å; L634-F708 HydrophobicContact CD1-CD2 3.8Å; L634-F708 HydrophobicContact CD1-CE2 3.78Å; L634-L711 HydrophobicContact CD1-CB 3.99Å; L634-L711 HydrophobicContact CD1-CD1 4.49Å; L634-I712 HydrophobicContact CD1-CG1 3.83Å; L634-I712 HydrophobicContact CD2-CG1 4.44Å; L634-L715 HydrophobicContact CD2-CD2 4.27Å |
| 635 | Y | 94.2 | Very high | 90.4 | Very high | 63 Ų | 63 | 41 Ų | 41 | 25% | 0.247 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65 | -39.5 | 175.8 | -64.2 | -42.9 | 0 | 0 | 0 | 112.2 | L435 V438 R631 I632 N637 I638 I639 | L435-Y635 HydrophobicContact CD1-CD1 3.96Å; V438-Y635 HydrophobicContact CG1-CE1 4.22Å; R631-Y635 HydrophobicContact CB-CE2 4.12Å; R631-Y635 WeakPolarHBondContact O-CD2 3.43Å; R631-Y635 VanDerWaalsContact O-CG 3.27Å; R631-Y635 PolarHBondContact O-N 3.03Å; I632-Y635 PolarHBondContact O-N 3.1Å; Y635-N637 VanDerWaalsContact C-N 3.32Å; Y635-N637 PolarHBondContact O-N 3.25Å; Y635-I638 PolarHBondContact O-N 3Å; Y635-I639 WeakPolarHBondContact O-CB 2.85Å; Y635-I639 WeakPolarHBondContact O-CD1 3.47Å; Y635-I639 VanDerWaalsContact O-CG1 3.23Å; Y635-I639 WeakPolarHBondContact O-CG1 2.91Å; Y635-I639 PolarHBondContact O-N 2.84Å |
| 636 | Y | 93.9 | Very high | 90.8 | Very high | 71 Ų | 71 | 36.3 Ų | 36.3 | 28% | 0.278 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -56.7 | -46.2 | 174.5 | 178.6 | -97.6 | 0 | 0 | 0 | 111.8 | F600 G603 Y604 I632 L633 I639 A640 | F600-Y636 WeakPolarHBondContact CA-OH 3.38Å; F600-Y636 PolarHBondContact O-OH 3.36Å; G603-Y636 VanDerWaalsContact CA-OH 3.26Å; G603-Y636 WeakPolarHBondContact CA-OH 3.43Å; Y604-Y636 AromaticContact CD1-CD1 3.94Å; Y604-Y636 HydrophobicContact CD1-CD1 3.94Å; Y604-Y636 AromaticContact CD1-CE1 3.77Å; Y604-Y636 HydrophobicContact CD1-CE1 3.77Å; Y604-Y636 HydrophobicContact CD2-CE1 4.36Å; Y604-Y636 AromaticContact CE1-CD1 3.74Å; Y604-Y636 HydrophobicContact CE1-CD1 3.74Å; Y604-Y636 AromaticContact CE1-CE1 3.77Å; Y604-Y636 HydrophobicContact CE1-CE1 3.77Å; Y604-Y636 HydrophobicContact CE2-CE1 4.34Å; Y604-Y636 HydrophobicContact CG-CE1 4.08Å; I632-Y636 PolarHBondContact O-N 3.44Å; L633-Y636 WeakPolarHBondContact O-CB 3.35Å; L633-Y636 PolarHBondContact O-N 3.06Å; Y636-I639 PolarHBondContact O-N 2.88Å; Y636-A640 WeakPolarHBondContact O-CB 3.39Å; Y636-A640 PolarHBondContact O-N 3.32Å |
| 637 | N | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.9 | -45.1 | 177.9 | 174.1 | -97.4 | 0 | 0 | 0 | 112.5 | Y604 L633 L634 Y635 I639 A640 I641 D704 F708 L711 | Y604-N637 HydrophobicContact CE1-CB 4.03Å; Y604-N637 WeakPolarHBondContact OH-CA 3.03Å; Y604-N637 PolarHBondContact OH-ND2 2.76Å; L633-N637 PolarHBondContact O-N 2.98Å; L633-N637 VanDerWaalsContact O-N 3.1Å; L634-N637 PolarHBondContact O-N 3.19Å; Y635-N637 VanDerWaalsContact C-N 3.32Å; Y635-N637 PolarHBondContact O-N 3.25Å; N637-I639 VanDerWaalsContact C-N 3.34Å; N637-I639 PolarHBondContact O-N 2.92Å; N637-A640 PolarHBondContact O-N 2.93Å; N637-I641 WeakPolarHBondContact O-CG1 3.36Å; N637-I641 PolarHBondContact O-N 3.35Å; N637-D704 PolarHBondContact ND2-O 3.02Å; N637-F708 VanDerWaalsContact OD1-CB 3.25Å; N637-F708 WeakPolarHBondContact OD1-CB 3.26Å; N637-F708 WeakPolarHBondContact OD1-CD2 3.44Å; N637-L711 HydrophobicContact CB-CD1 4.14Å |
| 638 | I | 93.6 | Very high | 91 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.4 | -40.7 | 176.9 | -61.3 | 167.3 | 0 | 0 | 0 | 111.1 | L434 L435 V438 L634 Y635 I641 L642 F708 | L434-I638 HydrophobicContact CD2-CG1 4.41Å; L435-I638 HydrophobicContact CB-CG2 3.93Å; L435-I638 HydrophobicContact CD1-CB 4.37Å; L435-I638 HydrophobicContact CD1-CD1 4.49Å; L435-I638 HydrophobicContact CD1-CG2 4Å; V438-I638 HydrophobicContact CB-CD1 4.15Å; V438-I638 HydrophobicContact CG1-CD1 4.13Å; V438-I638 HydrophobicContact CG2-CD1 4.06Å; L634-I638 HydrophobicContact CG-CD1 4.4Å; L634-I638 WeakPolarHBondContact O-CG1 3.25Å; L634-I638 PolarHBondContact O-N 3.3Å; L634-I638 VanDerWaalsContact O-N 3.14Å; Y635-I638 PolarHBondContact O-N 3Å; I638-I641 PolarHBondContact O-N 3.39Å; I638-L642 WeakPolarHBondContact O-CB 3.37Å; I638-L642 PolarHBondContact O-N 3.2Å; I638-F708 HydrophobicContact CD1-CE2 3.99Å; I638-F708 HydrophobicContact CG1-CD2 4.15Å; I638-F708 HydrophobicContact CG1-CE2 3.79Å |
| 639 | I | 92.7 | Very high | 91 | Very high | 75 Ų | 75 | 36.9 Ų | 36.9 | 39% | 0.385 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -65.8 | -39.6 | 177.4 | -68.9 | 165.3 | 0 | 0 | 0 | 110.9 | Y635 Y636 N637 L642 L643 | Y635-I639 WeakPolarHBondContact O-CB 2.85Å; Y635-I639 WeakPolarHBondContact O-CD1 3.47Å; Y635-I639 VanDerWaalsContact O-CG1 3.23Å; Y635-I639 WeakPolarHBondContact O-CG1 2.91Å; Y635-I639 PolarHBondContact O-N 2.84Å; Y636-I639 PolarHBondContact O-N 2.88Å; N637-I639 VanDerWaalsContact C-N 3.34Å; N637-I639 PolarHBondContact O-N 2.92Å; I639-L642 WeakPolarHBondContact O-CB 3.35Å; I639-L642 PolarHBondContact O-N 3Å; I639-L643 HydrophobicContact CG2-CD1 3.86Å; I639-L643 HydrophobicContact CG2-CG 4.32Å; I639-L643 WeakPolarHBondContact O-CB 3.32Å; I639-L643 VanDerWaalsContact O-CG 3.31Å; I639-L643 WeakPolarHBondContact O-CG 3.34Å; I639-L643 PolarHBondContact O-N 3.49Å |
| 640 | A | 91.5 | Very high | 90.9 | Very high | 2 Ų | 2 | 34 Ų | 34 | 2% | 0.017 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.9 | -42.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | F600 Y636 N637 L643 K644 | F600-A640 HydrophobicContact CB-CB 4.34Å; F600-A640 HydrophobicContact CD1-CB 4.48Å; Y636-A640 WeakPolarHBondContact O-CB 3.39Å; Y636-A640 PolarHBondContact O-N 3.32Å; N637-A640 PolarHBondContact O-N 2.93Å; A640-L643 PolarHBondContact O-N 3.13Å; A640-K644 WeakPolarHBondContact O-CB 3.38Å; A640-K644 WeakPolarHBondContact O-CG 3.37Å; A640-K644 PolarHBondContact O-N 2.81Å |
| 641 | I | 91.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61 | -48.9 | 173.7 | -65.4 | 167.8 | 0 | 0 | 0 | 110.4 | T416 I419 N637 I638 L643 K644 V645 I701 D704 | T416-I641 HydrophobicContact CG2-CD1 4.48Å; I419-I641 HydrophobicContact CG2-CG2 3.73Å; N637-I641 WeakPolarHBondContact O-CG1 3.36Å; N637-I641 PolarHBondContact O-N 3.35Å; I638-I641 PolarHBondContact O-N 3.39Å; I641-L643 VanDerWaalsContact C-N 3.32Å; I641-L643 PolarHBondContact O-N 2.86Å; I641-K644 PolarHBondContact O-N 3.16Å; I641-V645 HydrophobicContact CG2-CG2 4.45Å; I641-V645 WeakPolarHBondContact O-CG2 3.35Å; I641-V645 PolarHBondContact O-N 3.49Å; I641-I701 HydrophobicContact CG1-CG2 4.05Å; I641-I701 HydrophobicContact CG2-CG2 4.15Å; I641-D704 HydrophobicContact CD1-CB 4.13Å; I641-D704 HydrophobicContact CG1-CB 3.7Å |
| 642 | L | 92.7 | Very high | 89.8 | Confident | 31 Ų | 31 | 30.7 Ų | 30.7 | 16% | 0.162 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -55.4 | -47.1 | 178.9 | -176.7 | 69.2 | 0 | 0 | 0 | 111.9 | F428 C431 I432 I638 I639 V645 A646 | F428-L642 HydrophobicContact CD2-CD1 3.72Å; F428-L642 HydrophobicContact CE2-CD1 3.61Å; F428-L642 HydrophobicContact CE2-CG 4.18Å; F428-L642 HydrophobicContact CG-CD1 4.46Å; F428-L642 HydrophobicContact CZ-CD1 4.29Å; C431-L642 HydrophobicContact CB-CB 4.49Å; C431-L642 HydrophobicContact CB-CD1 3.75Å; C431-L642 VanDerWaalsContact SG-CA 3.57Å; C431-L642 VanDerWaalsContact SG-CB 3.57Å; I432-L642 HydrophobicContact CG1-CD1 3.85Å; I638-L642 WeakPolarHBondContact O-CB 3.37Å; I638-L642 PolarHBondContact O-N 3.2Å; I639-L642 WeakPolarHBondContact O-CB 3.35Å; I639-L642 PolarHBondContact O-N 3Å; L642-V645 PolarHBondContact O-N 2.94Å; L642-A646 WeakPolarHBondContact O-CB 3.26Å; L642-A646 PolarHBondContact O-N 3.28Å |
| 643 | L | 91 | Very high | 89.3 | Confident | 75 Ų | 75 | 26 Ų | 26 | 39% | 0.393 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -68.3 | -39.7 | -179.5 | -70.5 | 172.4 | 0 | 0 | 0 | 111.9 | F600 I639 A640 I641 A646 L647 | F600-L643 HydrophobicContact CD1-CD1 4.47Å; F600-L643 HydrophobicContact CE1-CB 3.91Å; F600-L643 HydrophobicContact CE1-CD1 3.54Å; F600-L643 HydrophobicContact CE1-CG 4.37Å; F600-L643 HydrophobicContact CZ-CB 3.73Å; F600-L643 HydrophobicContact CZ-CD1 4.1Å; I639-L643 HydrophobicContact CG2-CD1 3.86Å; I639-L643 HydrophobicContact CG2-CG 4.32Å; I639-L643 WeakPolarHBondContact O-CB 3.32Å; I639-L643 VanDerWaalsContact O-CG 3.31Å; I639-L643 WeakPolarHBondContact O-CG 3.34Å; I639-L643 PolarHBondContact O-N 3.49Å; A640-L643 PolarHBondContact O-N 3.13Å; I641-L643 VanDerWaalsContact C-N 3.32Å; I641-L643 PolarHBondContact O-N 2.86Å; L643-A646 PolarHBondContact O-N 3.24Å; L643-L647 WeakPolarHBondContact O-CB 3.28Å; L643-L647 VanDerWaalsContact O-CG 3.25Å; L643-L647 WeakPolarHBondContact O-CG 3.22Å; L643-L647 PolarHBondContact O-N 2.78Å |
| 644 | K | 89.6 | Confident | 88.9 | Confident | 25 Ų | 25 | 30.4 Ų | 30.4 | 11% | 0.109 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.8 | -39.9 | 175.5 | -77.2 | -174.1 | 177.2 | -176.5 | 0 | 112.5 | F600 A640 I641 L647 Q648 I701 D704 | F600-K644 HydrophobicContact CD2-CG 4.08Å; F600-K644 HydrophobicContact CE2-CG 4.24Å; A640-K644 WeakPolarHBondContact O-CB 3.38Å; A640-K644 WeakPolarHBondContact O-CG 3.37Å; A640-K644 PolarHBondContact O-N 2.81Å; I641-K644 PolarHBondContact O-N 3.16Å; K644-L647 PolarHBondContact O-N 3.01Å; K644-Q648 PolarHBondContact O-N 3.41Å; K644-I701 HydrophobicContact CB-CD1 3.63Å; K644-I701 HydrophobicContact CB-CG1 4.06Å; K644-I701 HydrophobicContact CD-CD1 4.44Å; K644-I701 HydrophobicContact CD-CG1 4.01Å; K644-D704 WeakPolarHBondContact CD-OD2 3.47Å; K644-D704 WeakPolarHBondContact CE-OD2 3.44Å; K644-D704 IonicContact NZ-OD1 3.91Å; K644-D704 IonicContact NZ-OD2 3.78Å; K644-D704 PolarHBondContact NZ-OD2 2.75Å |
| 645 | V | 89.4 | Confident | 88.2 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.9 | -42.7 | 174.2 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | I419 M423 A427 F428 I641 L642 L647 Q648 I701 | I419-V645 HydrophobicContact CG2-CG2 3.78Å; M423-V645 HydrophobicContact SD-CG2 4Å; A427-V645 HydrophobicContact CB-CG1 4.08Å; F428-V645 HydrophobicContact CB-CG1 4.01Å; I641-V645 HydrophobicContact CG2-CG2 4.45Å; I641-V645 WeakPolarHBondContact O-CG2 3.35Å; I641-V645 PolarHBondContact O-N 3.49Å; L642-V645 PolarHBondContact O-N 2.94Å; V645-L647 VanDerWaalsContact C-N 3.34Å; V645-L647 PolarHBondContact O-N 2.86Å; V645-Q648 WeakPolarHBondContact O-CB 3.45Å; V645-Q648 PolarHBondContact O-N 3.27Å; V645-I701 HydrophobicContact CG2-CD1 3.74Å |
| 646 | A | 89.8 | Confident | 87.3 | Confident | 34 Ų | 34 | 32 Ų | 32 | 28% | 0.281 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.2 | -37.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F428 L642 L643 Q648 V649 | F428-A646 HydrophobicContact CD2-CB 4.29Å; F428-A646 HydrophobicContact CE2-CB 4.09Å; L642-A646 WeakPolarHBondContact O-CB 3.26Å; L642-A646 PolarHBondContact O-N 3.28Å; L643-A646 PolarHBondContact O-N 3.24Å; A646-Q648 PolarHBondContact O-N 2.79Å; A646-V649 PolarHBondContact O-N 2.89Å |
| 647 | L | 88.8 | Confident | 86.7 | Confident | 39 Ų | 39 | 33.6 Ų | 33.6 | 20% | 0.204 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.7 | -16.1 | 179 | -73.5 | 169.6 | 0 | 0 | 0 | 113.8 | F600 L643 K644 V645 V649 V650 G651 F669 I671 | F600-L647 HydrophobicContact CE2-CD1 3.76Å; F600-L647 HydrophobicContact CZ-CD1 3.99Å; L643-L647 WeakPolarHBondContact O-CB 3.28Å; L643-L647 VanDerWaalsContact O-CG 3.25Å; L643-L647 WeakPolarHBondContact O-CG 3.22Å; L643-L647 PolarHBondContact O-N 2.78Å; K644-L647 PolarHBondContact O-N 3.01Å; V645-L647 VanDerWaalsContact C-N 3.34Å; V645-L647 PolarHBondContact O-N 2.86Å; L647-V649 PolarHBondContact O-N 3.03Å; L647-V650 PolarHBondContact O-N 3.12Å; L647-G651 PolarHBondContact O-N 2.77Å; L647-F669 HydrophobicContact CD1-CB 3.99Å; L647-F669 HydrophobicContact CD1-CG 4.38Å; L647-I671 HydrophobicContact CD2-CD1 4.06Å; L647-I671 HydrophobicContact CD2-CG1 4.37Å |
| 648 | Q | 86.7 | Confident | 86.1 | Confident | 10 Ų | 10 | 34.5 Ų | 34.5 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.2 | -30.3 | 174.2 | -72.8 | -62.3 | -50.7 | 0 | 0 | 112.7 | M423 K644 V645 A646 V650 G651 C652 A672 | M423-Q648 HydrophobicContact CB-CG 4.48Å; M423-Q648 HydrophobicContact CE-CG 3.41Å; M423-Q648 VanDerWaalsContact CE-CG 3.41Å; K644-Q648 PolarHBondContact O-N 3.41Å; V645-Q648 WeakPolarHBondContact O-CB 3.45Å; V645-Q648 PolarHBondContact O-N 3.27Å; A646-Q648 PolarHBondContact O-N 2.79Å; Q648-V650 VanDerWaalsContact C-N 3.32Å; Q648-V650 PolarHBondContact O-N 3.14Å; Q648-G651 PolarHBondContact O-N 3.25Å; Q648-C652 WeakPolarHBondContact O-CB 3.47Å; Q648-C652 PolarHBondContact O-N 2.92Å; Q648-A672 PolarHBondContact NE2-O 3.24Å; Q648-A672 PolarHBondContact OE1-O 3.19Å |
| 649 | V | 85.6 | Confident | 85.5 | Confident | 29 Ų | 29 | 35 Ų | 35 | 18% | 0.176 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.3 | -48.8 | 172.8 | -176.7 | 0 | 0 | 0 | 0 | 110.3 | W489 A646 L647 G651 V653 | W489-V649 HydrophobicContact CD2-CG2 3.44Å; W489-V649 VanDerWaalsContact CD2-CG2 3.44Å; W489-V649 HydrophobicContact CE3-CG2 3.58Å; W489-V649 HydrophobicContact CG-CG2 4.25Å; W489-V649 HydrophobicContact CH2-CG2 3.31Å; W489-V649 HydrophobicContact CZ2-CG2 3.16Å; W489-V649 HydrophobicContact CZ3-CG2 3.5Å; A646-V649 PolarHBondContact O-N 2.89Å; L647-V649 PolarHBondContact O-N 3.03Å; V649-G651 VanDerWaalsContact C-N 3.33Å; V649-G651 PolarHBondContact O-N 2.85Å; V649-V653 HydrophobicContact CG1-CG2 4.41Å; V649-V653 VanDerWaalsContact O-CB 3.22Å; V649-V653 WeakPolarHBondContact O-CB 3.27Å; V649-V653 WeakPolarHBondContact O-CG2 3.22Å; V649-V653 PolarHBondContact O-N 3.38Å |
| 650 | V | 86.1 | Confident | 84.9 | Confident | 48 Ų | 48 | 38 Ų | 38 | 29% | 0.291 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.3 | -42.4 | 179.5 | -175.8 | 0 | 0 | 0 | 0 | 110 | L647 Q648 F654 L655 A658 I671 | L647-V650 PolarHBondContact O-N 3.12Å; Q648-V650 VanDerWaalsContact C-N 3.32Å; Q648-V650 PolarHBondContact O-N 3.14Å; V650-F654 CarbonylContact O-C 3.59Å; V650-F654 VanDerWaalsContact O-C 3.24Å; V650-F654 WeakPolarHBondContact O-CA 3.09Å; V650-F654 PolarHBondContact O-N 2.89Å; V650-L655 PolarHBondContact O-N 3.12Å; V650-A658 HydrophobicContact CG1-CB 4Å; V650-I671 HydrophobicContact CB-CG2 4.47Å; V650-I671 HydrophobicContact CG1-CD1 4.27Å; V650-I671 HydrophobicContact CG1-CG2 4.43Å |
| 651 | G | 78.5 | Confident | 84.6 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -71.1 | -32.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | L647 Q648 V649 L655 | L647-G651 PolarHBondContact O-N 2.77Å; Q648-G651 PolarHBondContact O-N 3.25Å; V649-G651 VanDerWaalsContact C-N 3.33Å; V649-G651 PolarHBondContact O-N 2.85Å; G651-L655 WeakPolarHBondContact O-CB 3.35Å |
| 652 | C | 79.8 | Confident | 84.2 | Confident | 15 Ų | 15 | 43.5 Ų | 43.5 | 10% | 0.101 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -95 | -31.3 | -179.1 | -64.5 | 0 | 0 | 0 | 0 | 113 | N485 Q648 C673 | N485-C652 HydrophobicContact CB-CB 4.37Å; N485-C652 VanDerWaalsContact CB-O 3.32Å; N485-C652 WeakPolarHBondContact CB-O 3.25Å; N485-C652 PolarHBondContact ND2-O 2.73Å; Q648-C652 WeakPolarHBondContact O-CB 3.47Å; Q648-C652 PolarHBondContact O-N 2.92Å; C652-C673 VanDerWaalsContact CA-SG 3.55Å; C652-C673 HydrophobicContact CB-CB 3.98Å; C652-C673 WeakPolarHBondContact CB-SG 3.37Å; C652-C673 VanDerWaalsContact SG-CA 3.53Å; C652-C673 WeakPolarHBondContact SG-CB 3.4Å; C652-C673 CovalentContact SG-SG 2.05Å; C652-C673 PolarHBondContact SG-SG 2.68Å |
| 653 | V | 81.3 | Confident | 83.5 | Confident | 19 Ų | 19 | 44.2 Ų | 44.2 | 12% | 0.115 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -97.9 | -43.9 | -175.4 | -174.8 | 0 | 0 | 0 | 0 | 112.1 | L486 V649 | L486-V653 HydrophobicContact CB-CG1 4.12Å; L486-V653 HydrophobicContact CB-CG2 3.71Å; L486-V653 HydrophobicContact CD1-CG2 3.93Å; L486-V653 HydrophobicContact CG-CG2 4.4Å; V649-V653 HydrophobicContact CG1-CG2 4.41Å; V649-V653 VanDerWaalsContact O-CB 3.22Å; V649-V653 WeakPolarHBondContact O-CB 3.27Å; V649-V653 WeakPolarHBondContact O-CG2 3.22Å; V649-V653 PolarHBondContact O-N 3.38Å |
| 654 | F | 83.6 | Confident | 83 | Confident | 100 Ų | 100 | 43.6 Ų | 43.6 | 44% | 0.439 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -115.5 | 22.2 | -168.1 | -60.3 | -73.2 | 0 | 0 | 0 | 113.3 | V650 G656 D657 A658 | V650-F654 CarbonylContact O-C 3.59Å; V650-F654 VanDerWaalsContact O-C 3.24Å; V650-F654 WeakPolarHBondContact O-CA 3.09Å; V650-F654 PolarHBondContact O-N 2.89Å; F654-G656 VanDerWaalsContact C-N 3.33Å; F654-G656 PolarHBondContact O-N 3.32Å; F654-D657 PolarHBondContact O-N 3.06Å; F654-A658 VanDerWaalsContact O-CB 3.29Å; F654-A658 WeakPolarHBondContact O-CB 3.41Å; F654-A658 PolarHBondContact O-N 2.66Å |
| 655 | L | 76.9 | Confident | 82.7 | Confident | 51 Ų | 51 | 46.5 Ų | 46.5 | 27% | 0.267 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.4 | -44.7 | -173.1 | -167.9 | 62.8 | 0 | 0 | 0 | 112.7 | V650 G651 C659 I688 | V650-L655 PolarHBondContact O-N 3.12Å; G651-L655 WeakPolarHBondContact O-CB 3.35Å; L655-C659 WeakPolarHBondContact O-CB 3.49Å; L655-C659 PolarHBondContact O-N 2.94Å; L655-I688 HydrophobicContact CD2-CD1 4.26Å |
| 656 | G | 75.2 | Confident | 82.4 | Confident | 46 Ų | 46 | 46.6 Ų | 46.6 | 47% | 0.474 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F654 C659 N660 | F654-G656 VanDerWaalsContact C-N 3.33Å; F654-G656 PolarHBondContact O-N 3.32Å; G656-C659 WeakPolarHBondContact O-CB 3.28Å; G656-C659 PolarHBondContact O-N 3.39Å; G656-N660 VanDerWaalsContact O-CG 3.29Å; G656-N660 PolarHBondContact O-N 3.43Å; G656-N660 PolarHBondContact O-ND2 3.37Å |
| 657 | D | 82.9 | Confident | 81.8 | Confident | 104 Ų | 104 | 45.9 Ų | 45.9 | 56% | 0.556 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -69 | -42.7 | -179.8 | -61.7 | -34.3 | 0 | 0 | 0 | 112.1 | F654 C659 N660 A661 | F654-D657 PolarHBondContact O-N 3.06Å; D657-C659 VanDerWaalsContact C-N 3.29Å; D657-C659 PolarHBondContact O-N 3.44Å; D657-N660 PolarHBondContact O-N 3.12Å; D657-A661 WeakPolarHBondContact O-CB 3.15Å; D657-A661 PolarHBondContact O-N 3.15Å |
| 658 | A | 81.3 | Confident | 81.7 | Confident | 19 Ų | 19 | 46.6 Ų | 46.6 | 16% | 0.157 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.7 | -38 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V650 F654 A661 S662 V666 | V650-A658 HydrophobicContact CG1-CB 4Å; F654-A658 VanDerWaalsContact O-CB 3.29Å; F654-A658 WeakPolarHBondContact O-CB 3.41Å; F654-A658 PolarHBondContact O-N 2.66Å; A658-A661 PolarHBondContact O-N 3.45Å; A658-S662 CarbonylContact O-C 3.58Å; A658-S662 PolarHBondContact O-N 2.99Å; A658-V666 HydrophobicContact CB-CG2 4.03Å |
| 659 | C | 80.1 | Confident | 81.7 | Confident | 13 Ų | 13 | 49.4 Ų | 49.4 | 9% | 0.088 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 174.7 | -169.5 | 0 | 0 | 0 | 0 | 112.5 | L655 G656 D657 P663 C692 | L655-C659 WeakPolarHBondContact O-CB 3.49Å; L655-C659 PolarHBondContact O-N 2.94Å; G656-C659 WeakPolarHBondContact O-CB 3.28Å; G656-C659 PolarHBondContact O-N 3.39Å; D657-C659 VanDerWaalsContact C-N 3.29Å; D657-C659 PolarHBondContact O-N 3.44Å; C659-P663 VanDerWaalsContact O-CD 3.32Å; C659-P663 WeakPolarHBondContact O-CD 3.32Å; C659-C692 WeakPolarHBondContact CA-SG 3.48Å; C659-C692 HydrophobicContact CB-CB 4.22Å; C659-C692 WeakPolarHBondContact CB-SG 2.98Å; C659-C692 WeakPolarHBondContact SG-CB 3Å; C659-C692 CovalentContact SG-SG 2.01Å; C659-C692 PolarHBondContact SG-SG 3.09Å |
| 660 | N | 80.9 | Confident | 81.5 | Confident | 136 Ų | 136 | 48.4 Ų | 48.4 | 73% | 0.727 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -69.4 | -37.3 | 177.7 | -72.7 | -20.3 | 0 | 0 | 0 | 112.2 | G656 D657 | G656-N660 VanDerWaalsContact O-CG 3.29Å; G656-N660 PolarHBondContact O-N 3.43Å; G656-N660 PolarHBondContact O-ND2 3.37Å; D657-N660 PolarHBondContact O-N 3.12Å |
| 661 | A | 84 | Confident | 81.4 | Confident | 83 Ų | 83 | 46.9 Ų | 46.9 | 69% | 0.686 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -71.8 | -47.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D657 A658 | D657-A661 WeakPolarHBondContact O-CB 3.15Å; D657-A661 PolarHBondContact O-N 3.15Å; A658-A661 PolarHBondContact O-N 3.45Å |
| 662 | S | 83.8 | Confident | 81.4 | Confident | 35 Ų | 35 | 47.5 Ų | 47.5 | 25% | 0.245 | 29% | 0.285 | C | S | . | . | trans | -161.5 | 91.5 | -177.7 | 54.6 | 0 | 0 | 0 | 0 | 112.3 | A658 S664 L665 V666 | A658-S662 CarbonylContact O-C 3.58Å; A658-S662 PolarHBondContact O-N 2.99Å; S662-S664 PolarHBondContact O-N 3Å; S662-S664 VanDerWaalsContact O-N 3.11Å; S662-L665 PolarHBondContact O-N 2.99Å; S662-L665 VanDerWaalsContact O-N 3.08Å; S662-L665 WeakPolarHBondContact OG-CB 3.43Å; S662-L665 WeakPolarHBondContact OG-CD1 3.27Å; S662-L665 WeakPolarHBondContact OG-CG 3.37Å; S662-V666 PolarHBondContact O-N 3.4Å | ||
| 663 | P | 78.2 | Confident | 81.2 | Confident | 46 Ų | 46 | 48.5 Ų | 48.5 | 30% | 0.299 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.5 | -27.1 | 177.1 | 25.1 | -32.7 | 0 | 0 | 0 | 111.6 | C659 V666 Q667 | C659-P663 VanDerWaalsContact O-CD 3.32Å; C659-P663 WeakPolarHBondContact O-CD 3.32Å; P663-V666 PolarHBondContact O-N 2.75Å; P663-Q667 WeakPolarHBondContact O-CG 3.26Å; P663-Q667 PolarHBondContact O-N 3.26Å; P663-Q667 VanDerWaalsContact O-N 3.07Å |
| 664 | S | 80.1 | Confident | 80.8 | Confident | 63 Ų | 63 | 50.5 Ų | 50.5 | 44% | 0.441 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 175.1 | -56.6 | 0 | 0 | 0 | 0 | 113.8 | S662 Q667 L668 L1068 | S662-S664 PolarHBondContact O-N 3Å; S662-S664 VanDerWaalsContact O-N 3.11Å; S664-Q667 PolarHBondContact O-N 3.08Å; S664-L668 VanDerWaalsContact O-CB 3.25Å; S664-L668 WeakPolarHBondContact O-CB 3.38Å; S664-L668 PolarHBondContact O-N 3.38Å; S664-L1068 VanDerWaalsContact CA-CD2 3.41Å; S664-L1068 WeakPolarHBondContact OG-CD2 3.47Å |
| 665 | L | 83.7 | Confident | 79.9 | Confident | 86 Ų | 86 | 49.9 Ų | 49.9 | 45% | 0.45 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -72.7 | -37.5 | 178.9 | -69.2 | -175.5 | 0 | 0 | 0 | 111.3 | S662 Q667 L668 F669 | S662-L665 PolarHBondContact O-N 2.99Å; S662-L665 VanDerWaalsContact O-N 3.08Å; S662-L665 WeakPolarHBondContact OG-CB 3.43Å; S662-L665 WeakPolarHBondContact OG-CD1 3.27Å; S662-L665 WeakPolarHBondContact OG-CG 3.37Å; L665-Q667 VanDerWaalsContact C-N 3.28Å; L665-Q667 PolarHBondContact O-N 2.87Å; L665-L668 HydrophobicContact CD2-CD2 4.31Å; L665-L668 PolarHBondContact O-N 2.93Å; L665-F669 HydrophobicContact CD2-CE2 4.29Å; L665-F669 PolarHBondContact O-N 3.43Å; L665-F669 VanDerWaalsContact O-N 3.13Å |
| 666 | V | 82.2 | Confident | 79 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.8 | -44.9 | 174 | 176.1 | 0 | 0 | 0 | 0 | 110.4 | A658 S662 P663 S670 I671 V694 | A658-V666 HydrophobicContact CB-CG2 4.03Å; S662-V666 PolarHBondContact O-N 3.4Å; P663-V666 PolarHBondContact O-N 2.75Å; V666-S670 WeakPolarHBondContact O-CA 3.38Å; V666-S670 PolarHBondContact O-N 3.27Å; V666-S670 VanDerWaalsContact O-N 3.09Å; V666-I671 HydrophobicContact CG1-CB 4.27Å; V666-I671 PolarHBondContact O-N 3.35Å; V666-V694 HydrophobicContact CG1-CG2 4.24Å |
| 667 | Q | 78.9 | Confident | 78 | Confident | 19 Ų | 19 | 50.3 Ų | 50.3 | 9% | 0.089 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -74.5 | -40 | 177.7 | -67.8 | -177.9 | 0.2 | 0 | 0 | 113.8 | P663 S664 L665 F669 S670 N691 V694 G1067 | P663-Q667 WeakPolarHBondContact O-CG 3.26Å; P663-Q667 PolarHBondContact O-N 3.26Å; P663-Q667 VanDerWaalsContact O-N 3.07Å; S664-Q667 PolarHBondContact O-N 3.08Å; L665-Q667 VanDerWaalsContact C-N 3.28Å; L665-Q667 PolarHBondContact O-N 2.87Å; Q667-F669 VanDerWaalsContact C-N 3.31Å; Q667-F669 PolarHBondContact O-N 3Å; Q667-S670 PolarHBondContact O-N 3.49Å; Q667-N691 PolarHBondContact NE2-O 2.85Å; Q667-V694 HydrophobicContact CG-CG2 4.38Å; Q667-G1067 PolarHBondContact OE1-O 2.78Å |
| 668 | L | 85.8 | Confident | 76.5 | Confident | 55 Ų | 55 | 48.6 Ų | 48.6 | 29% | 0.288 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.6 | -40.9 | -178.7 | -179.4 | 66 | 0 | 0 | 0 | 112.1 | S598 A599 S664 L665 F1066 | S598-L668 WeakPolarHBondContact CA-O 3.31Å; A599-L668 HydrophobicContact CB-CD1 4.24Å; A599-L668 HydrophobicContact CB-CG 4.25Å; A599-L668 PolarHBondContact N-O 3.33Å; S664-L668 VanDerWaalsContact O-CB 3.25Å; S664-L668 WeakPolarHBondContact O-CB 3.38Å; S664-L668 PolarHBondContact O-N 3.38Å; L665-L668 HydrophobicContact CD2-CD2 4.31Å; L665-L668 PolarHBondContact O-N 2.93Å; L668-F1066 HydrophobicContact CD1-CE1 4.14Å; L668-F1066 HydrophobicContact CD1-CE2 4.49Å; L668-F1066 HydrophobicContact CD1-CZ 4.04Å |
| 669 | F | 86.6 | Confident | 74.9 | Confident | 69 Ų | 69 | 50.7 Ų | 50.7 | 30% | 0.303 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -1 | 178.1 | -67 | -65.3 | 0 | 0 | 0 | 113.8 | A599 F600 L647 L665 Q667 I671 | A599-F669 HydrophobicContact CB-CD1 4.29Å; A599-F669 HydrophobicContact CB-CE1 4.18Å; F600-F669 AromaticContact CE2-CD1 3.81Å; F600-F669 HydrophobicContact CE2-CD1 3.81Å; F600-F669 AromaticContact CZ-CD1 3.72Å; F600-F669 HydrophobicContact CZ-CD1 3.72Å; F600-F669 HydrophobicContact CZ-CE1 4.09Å; L647-F669 HydrophobicContact CD1-CB 3.99Å; L647-F669 HydrophobicContact CD1-CG 4.38Å; L665-F669 HydrophobicContact CD2-CE2 4.29Å; L665-F669 PolarHBondContact O-N 3.43Å; L665-F669 VanDerWaalsContact O-N 3.13Å; Q667-F669 VanDerWaalsContact C-N 3.31Å; Q667-F669 PolarHBondContact O-N 3Å; F669-I671 HydrophobicContact CB-CD1 4.34Å; F669-I671 HydrophobicContact CB-CG1 3.9Å; F669-I671 PolarHBondContact O-N 2.95Å |
| 670 | S | 81.8 | Confident | 73.2 | Confident | 8 Ų | 8 | 58.7 Ų | 58.7 | 6% | 0.056 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 53.2 | -174.8 | -80.2 | 0 | 0 | 0 | 0 | 112.8 | I597 V666 Q667 A672 | I597-S670 PolarHBondContact O-OG 3.25Å; V666-S670 WeakPolarHBondContact O-CA 3.38Å; V666-S670 PolarHBondContact O-N 3.27Å; V666-S670 VanDerWaalsContact O-N 3.09Å; Q667-S670 PolarHBondContact O-N 3.49Å; S670-A672 PolarHBondContact O-N 2.9Å |
| 671 | I | 83.8 | Confident | 71.2 | Confident | 16 Ų | 16 | 61.6 Ų | 61.6 | 8% | 0.082 | 33% | 0.332 | C | S | . | . | trans | -75.3 | 113.9 | -179.5 | -55 | 177.7 | 0 | 0 | 0 | 109 | L647 V650 V666 F669 | L647-I671 HydrophobicContact CD2-CD1 4.06Å; L647-I671 HydrophobicContact CD2-CG1 4.37Å; V650-I671 HydrophobicContact CB-CG2 4.47Å; V650-I671 HydrophobicContact CG1-CD1 4.27Å; V650-I671 HydrophobicContact CG1-CG2 4.43Å; V666-I671 HydrophobicContact CG1-CB 4.27Å; V666-I671 PolarHBondContact O-N 3.35Å; F669-I671 HydrophobicContact CB-CD1 4.34Å; F669-I671 HydrophobicContact CB-CG1 3.9Å; F669-I671 PolarHBondContact O-N 2.95Å | ||
| 672 | A | 77.9 | Confident | 69 | Low | 13 Ų | 13 | 65.9 Ų | 65.9 | 11% | 0.107 | 34% | 0.336 | C | S | . | . | trans | -146.8 | 147.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q648 S670 A699 | Q648-A672 PolarHBondContact NE2-O 3.24Å; Q648-A672 PolarHBondContact OE1-O 3.19Å; S670-A672 PolarHBondContact O-N 2.9Å; A672-A699 HydrophobicContact CB-CB 3.92Å | ||
| 673 | C | 76.9 | Confident | 67.1 | Low | 37 Ų | 37 | 71.3 Ų | 71.3 | 25% | 0.25 | 36% | 0.362 | C | S | . | . | trans | -81 | 124 | 175 | -168.9 | 0 | 0 | 0 | 0 | 110.5 | C652 S676 | C652-C673 VanDerWaalsContact CA-SG 3.55Å; C652-C673 HydrophobicContact CB-CB 3.98Å; C652-C673 WeakPolarHBondContact CB-SG 3.37Å; C652-C673 VanDerWaalsContact SG-CA 3.53Å; C652-C673 WeakPolarHBondContact SG-CB 3.4Å; C652-C673 CovalentContact SG-SG 2.05Å; C652-C673 PolarHBondContact SG-SG 2.68Å; C673-S676 PolarHBondContact SG-OG 2.9Å | ||
| 674 | I | 71.9 | Confident | 65.4 | Low | 60 Ų | 60 | 72.7 Ų | 72.7 | 31% | 0.308 | 38% | 0.377 | S | S | . | . | trans | -96.2 | -36 | -176.6 | -61.9 | 171.6 | 0 | 0 | 0 | 112.1 | M423 A699 | M423-I674 HydrophobicContact CE-CD1 4.07Å; I674-A699 HydrophobicContact CD1-CB 4.04Å; I674-A699 WeakPolarHBondContact CD1-O 3.4Å; I674-A699 HydrophobicContact CG1-CB 4.2Å | ||
| 675 | H | 64.3 | Low | 63.9 | Low | 87 Ų | 87 | 74 Ų | 74 | 40% | 0.403 | 38% | 0.379 | S | S | . | . | trans | -135.7 | 88.5 | -167.8 | -148.3 | 81.2 | 0 | 0 | 0 | 111.6 | F503 | F503-H675 AromaticContact CE1-NE2 3.96Å; F503-H675 AromaticContact CZ-CD2 3.57Å; F503-H675 AromaticContact CZ-NE2 3.37Å; F503-H675 WeakPolarHBondContact CZ-NE2 3.4Å | ||
| 676 | S | 57.8 | Low | 62.2 | Low | 16 Ų | 16 | 76.2 Ų | 76.2 | 11% | 0.112 | 40% | 0.399 | C | S | . | . | trans | -130.4 | 104.7 | 165.9 | 36.6 | 0 | 0 | 0 | 0 | 108.3 | C673 I678 S679 | C673-S676 PolarHBondContact SG-OG 2.9Å; S676-I678 PolarHBondContact O-N 3.19Å; S676-I678 VanDerWaalsContact O-N 3.08Å; S676-S679 PolarHBondContact O-N 3.28Å; S676-S679 PolarHBondContact O-OG 2.76Å; S676-S679 PolarHBondContact OG-OG 3.02Å | ||
| 677 | D | 54.6 | Low | 60.6 | Low | 90 Ų | 90 | 84.7 Ų | 84.7 | 48% | 0.481 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -58.5 | -19.7 | 173.7 | -80.7 | -31.2 | 0 | 0 | 0 | 111.3 | N500 S679 | N500-D677 PolarHBondContact ND2-OD2 3.19Å; D677-S679 VanDerWaalsContact C-N 3.29Å; D677-S679 PolarHBondContact O-N 3.45Å |
| 678 | I | 52.8 | Low | 59.5 | Low | 69 Ų | 69 | 87.9 Ų | 87.9 | 35% | 0.354 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -71.9 | -21.7 | 176.2 | -56.4 | 175.8 | 0 | 0 | 0 | 111.8 | A484 Q488 H497 S676 | A484-I678 HydrophobicContact CB-CD1 3.46Å; A484-I678 VanDerWaalsContact CB-CD1 3.46Å; Q488-I678 HydrophobicContact CG-CD1 3.99Å; Q488-I678 VanDerWaalsContact NE2-CG1 3.31Å; H497-I678 HydrophobicContact CB-CD1 4.46Å; S676-I678 PolarHBondContact O-N 3.19Å; S676-I678 VanDerWaalsContact O-N 3.08Å |
| 679 | S | 47.3 | Very low | 58.1 | Low | 62 Ų | 62 | 88.9 Ų | 88.9 | 43% | 0.434 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -120.2 | 44 | -169.8 | 80.4 | 0 | 0 | 0 | 0 | 114.3 | S676 D677 R681 | S676-S679 PolarHBondContact O-N 3.28Å; S676-S679 PolarHBondContact O-OG 2.76Å; S676-S679 PolarHBondContact OG-OG 3.02Å; D677-S679 VanDerWaalsContact C-N 3.29Å; D677-S679 PolarHBondContact O-N 3.45Å; S679-R681 PolarHBondContact O-N 2.9Å |
| 680 | Q | 43.5 | Very low | 56.9 | Low | 181 Ų | 181 | 90.8 Ų | 90.8 | 85% | 0.846 | 48% | 0.483 | S | S | * | . | trans | -60.7 | 13.5 | 159.1 | -82 | -168.1 | -8.5 | 0 | 0 | 113.8 | K682 | Q680-K682 VanDerWaalsContact C-N 3.33Å; Q680-K682 PolarHBondContact O-N 2.79Å | ||
| 681 | R | 39.4 | Very low | 56 | Low | 197 Ų | 197 | 93.5 Ų | 93.5 | 74% | 0.743 | 50% | 0.496 | S | S | * | . | trans | -77.3 | 80.1 | 170.7 | -146.6 | 174.1 | -157.9 | 169.8 | 4.7 | 110.2 | S679 D683 | S679-R681 PolarHBondContact O-N 2.9Å; R681-D683 PolarHBondContact O-N 3.34Å | ||
| 682 | K | 38.4 | Very low | 55.3 | Low | 173 Ų | 173 | 93.2 Ų | 93.2 | 75% | 0.752 | 50% | 0.496 | S | S | * | . | trans | -31.1 | 126.2 | 166 | -67.5 | 170.8 | 174.9 | 175 | 0 | 112.9 | Q680 A684 | Q680-K682 VanDerWaalsContact C-N 3.33Å; Q680-K682 PolarHBondContact O-N 2.79Å; K682-A684 WeakPolarHBondContact O-CA 3.4Å; K682-A684 WeakPolarHBondContact O-CB 3.36Å; K682-A684 PolarHBondContact O-N 2.97Å | ||
| 683 | D | 42.4 | Very low | 54.8 | Low | 150 Ų | 150 | 99 Ų | 99 | 80% | 0.802 | 52% | 0.519 | S | S | * | . | S | Bend | trans | 44 | 7.9 | 144.5 | -64.5 | -52.7 | 0 | 0 | 0 | 120.7 | R681 | R681-D683 PolarHBondContact O-N 3.34Š|
| 684 | A | 43.6 | Very low | 54.5 | Low | 74 Ų | 74 | 98.4 Ų | 98.4 | 61% | 0.612 | 51% | 0.514 | S | S | * | . | trans | -137.7 | 18.8 | -157.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | K682 P686 | K682-A684 WeakPolarHBondContact O-CA 3.4Å; K682-A684 WeakPolarHBondContact O-CB 3.36Å; K682-A684 PolarHBondContact O-N 2.97Å; A684-P686 WeakPolarHBondContact O-CD 3.45Å | ||
| 685 | D | 47.5 | Very low | 54.3 | Low | 91 Ų | 91 | 98 Ų | 98 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | trans | -75.2 | 109.6 | 163.5 | -90.7 | -19.6 | 0 | 0 | 0 | 108.7 | M687 | D685-M687 PolarHBondContact O-N 3.46Š| ||
| 686 | P | 49.7 | Very low | 54.3 | Low | 132 Ų | 132 | 97.3 Ų | 97.3 | 86% | 0.857 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | 2.5 | -174.1 | 31.5 | -35.7 | 0 | 0 | 0 | 113.3 | A684 | A684-P686 WeakPolarHBondContact O-CD 3.45Š|
| 687 | M | 48.2 | Very low | 54.7 | Low | 179 Ų | 179 | 101.7 Ų | 101.7 | 88% | 0.882 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -13 | -175.1 | -145.8 | 176.6 | 174.3 | 0 | 0 | 113.5 | D685 T689 | D685-M687 PolarHBondContact O-N 3.46Å; M687-T689 PolarHBondContact O-N 2.93Å |
| 688 | I | 54.7 | Low | 55.3 | Low | 87 Ų | 87 | 99.3 Ų | 99.3 | 45% | 0.446 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -87.5 | 108.1 | 175.7 | -57.4 | 177.2 | 0 | 0 | 0 | 108.5 | L655 C692 | L655-I688 HydrophobicContact CD2-CD1 4.26Å; I688-C692 HydrophobicContact CG2-CB 3.77Å |
| 689 | T | 57.9 | Low | 55.9 | Low | 76 Ų | 76 | 96.3 Ų | 96.3 | 47% | 0.466 | 52% | 0.518 | S | S | . | . | trans | -55.7 | 146.5 | 176.4 | 59.2 | 0 | 0 | 0 | 0 | 111 | M687 N691 C692 | M687-T689 PolarHBondContact O-N 2.93Å; T689-N691 PolarHBondContact O-N 2.91Å; T689-C692 PolarHBondContact O-N 3.2Å | ||
| 690 | V | 59.5 | Low | 57 | Low | 108 Ų | 108 | 97 Ų | 97 | 66% | 0.655 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -50.2 | -30 | 177.1 | 178.5 | 0 | 0 | 0 | 0 | 111.6 | C692 K693 | V690-C692 PolarHBondContact O-N 3.32Å; V690-K693 PolarHBondContact O-N 3.5Å |
| 691 | N | 62.9 | Low | 58.9 | Low | 65 Ų | 65 | 88.6 Ų | 88.6 | 35% | 0.348 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -65.1 | -14.4 | 178.9 | -60.7 | -8.1 | 0 | 0 | 0 | 114.1 | Q667 T689 Q1073 | Q667-N691 PolarHBondContact NE2-O 2.85Å; T689-N691 PolarHBondContact O-N 2.91Å; N691-Q1073 PolarHBondContact OD1-OE1 2.73Å |
| 692 | C | 70.5 | Confident | 61 | Low | 10 Ų | 10 | 84 Ų | 84 | 7% | 0.068 | 47% | 0.465 | C | S | . | . | G | 310 helix | trans | -110.8 | -2.7 | -176.5 | -124.4 | 0 | 0 | 0 | 0 | 115 | C659 I688 T689 V690 V694 | C659-C692 WeakPolarHBondContact CA-SG 3.48Å; C659-C692 HydrophobicContact CB-CB 4.22Å; C659-C692 WeakPolarHBondContact CB-SG 2.98Å; C659-C692 WeakPolarHBondContact SG-CB 3Å; C659-C692 CovalentContact SG-SG 2.01Å; C659-C692 PolarHBondContact SG-SG 3.09Å; I688-C692 HydrophobicContact CG2-CB 3.77Å; T689-C692 PolarHBondContact O-N 3.2Å; V690-C692 PolarHBondContact O-N 3.32Å; C692-V694 PolarHBondContact O-N 2.63Å; C692-V694 VanDerWaalsContact O-N 3.13Å |
| 693 | K | 67.7 | Low | 63.3 | Low | 136 Ų | 136 | 81 Ų | 81 | 59% | 0.591 | 45% | 0.45 | S | S | * | . | trans | -76.1 | 106.2 | -172.1 | -168.1 | 170.1 | -177.6 | 168.7 | 0 | 111.3 | V690 | V690-K693 PolarHBondContact O-N 3.5Š| ||
| 694 | V | 69.4 | Low | 65.6 | Low | 24 Ų | 24 | 74 Ų | 74 | 15% | 0.145 | 41% | 0.412 | C | S | . | . | trans | -99.6 | 139.9 | 171.2 | 179.7 | 0 | 0 | 0 | 0 | 109 | V666 Q667 C692 Q698 | V666-V694 HydrophobicContact CG1-CG2 4.24Å; Q667-V694 HydrophobicContact CG-CG2 4.38Å; C692-V694 PolarHBondContact O-N 2.63Å; C692-V694 VanDerWaalsContact O-N 3.13Å; V694-Q698 HydrophobicContact CG1-CB 4.42Å | ||
| 695 | A | 67.2 | Low | 67.9 | Low | 51 Ų | 51 | 70.9 Ų | 70.9 | 42% | 0.421 | 39% | 0.386 | S | S | . | . | trans | -74.4 | 130.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | N697 Q698 | A695-N697 PolarHBondContact O-N 3.15Å; A695-N697 VanDerWaalsContact O-N 3.11Å; A695-Q698 HydrophobicContact CB-CG 4.09Å; A695-Q698 WeakPolarHBondContact O-CB 3.36Å; A695-Q698 PolarHBondContact O-N 2.87Å | ||
| 696 | S | 65.6 | Low | 69.9 | Low | 72 Ų | 72 | 70.1 Ų | 70.1 | 50% | 0.503 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -56 | -31.5 | -177.9 | 53.8 | 0 | 0 | 0 | 0 | 113.6 | Q698 A699 | S696-Q698 VanDerWaalsContact C-N 3.26Å; S696-Q698 PolarHBondContact O-N 2.92Å; S696-A699 PolarHBondContact O-N 3.39Å |
| 697 | N | 66.7 | Low | 72 | Confident | 108 Ų | 108 | 63.9 Ų | 63.9 | 58% | 0.578 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63.4 | -27.2 | 175.2 | -67.8 | -11 | 0 | 0 | 0 | 113.4 | A695 A699 Q700 | A695-N697 PolarHBondContact O-N 3.15Å; A695-N697 VanDerWaalsContact O-N 3.11Å; N697-A699 VanDerWaalsContact C-N 3.34Å; N697-Q700 PolarHBondContact OD1-NE2 3.48Å |
| 698 | Q | 66.6 | Low | 74.2 | Confident | 40 Ų | 40 | 55.3 Ų | 55.3 | 19% | 0.187 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -75.4 | -24.9 | -178.7 | -64.4 | 172.8 | -27 | 0 | 0 | 112.6 | V694 A695 S696 | V694-Q698 HydrophobicContact CG1-CB 4.42Å; A695-Q698 HydrophobicContact CB-CG 4.09Å; A695-Q698 WeakPolarHBondContact O-CB 3.36Å; A695-Q698 PolarHBondContact O-N 2.87Å; S696-Q698 VanDerWaalsContact C-N 3.26Å; S696-Q698 PolarHBondContact O-N 2.92Å |
| 699 | A | 64.8 | Low | 76.1 | Confident | 7 Ų | 7 | 52.1 Ų | 52.1 | 6% | 0.058 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -85.1 | -12.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A672 I674 S696 N697 | A672-A699 HydrophobicContact CB-CB 3.92Å; I674-A699 HydrophobicContact CD1-CB 4.04Å; I674-A699 WeakPolarHBondContact CD1-O 3.4Å; I674-A699 HydrophobicContact CG1-CB 4.2Å; S696-A699 PolarHBondContact O-N 3.39Å; N697-A699 VanDerWaalsContact C-N 3.34Å |
| 700 | Q | 70.1 | Confident | 77.8 | Confident | 75 Ų | 75 | 51.1 Ų | 51.1 | 35% | 0.35 | 27% | 0.274 | S | S | . | . | trans | -65.7 | 140.7 | -176.6 | -69.2 | 178.2 | 1.3 | 0 | 0 | 112.6 | N697 | N697-Q700 PolarHBondContact OD1-NE2 3.48Š| ||
| 701 | I | 83.5 | Confident | 79.4 | Confident | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | trans | -87.7 | -6.9 | 179.7 | -59.5 | -164.2 | 0 | 0 | 0 | 112.3 | A420 M423 I641 K644 V645 Y703 D704 S705 | A420-I701 HydrophobicContact CB-CB 4.47Å; A420-I701 HydrophobicContact CB-CG2 4.43Å; M423-I701 HydrophobicContact CE-CD1 3.36Å; M423-I701 HydrophobicContact CE-CG1 3.74Å; M423-I701 HydrophobicContact SD-CD1 3.28Å; M423-I701 WeakPolarHBondContact SD-CD1 3.44Å; M423-I701 HydrophobicContact SD-CG1 3.88Å; I641-I701 HydrophobicContact CG1-CG2 4.05Å; I641-I701 HydrophobicContact CG2-CG2 4.15Å; K644-I701 HydrophobicContact CB-CD1 3.63Å; K644-I701 HydrophobicContact CB-CG1 4.06Å; K644-I701 HydrophobicContact CD-CD1 4.44Å; K644-I701 HydrophobicContact CD-CG1 4.01Å; V645-I701 HydrophobicContact CG2-CD1 3.74Å; I701-Y703 PolarHBondContact O-N 3.13Å; I701-D704 HydrophobicContact CG2-CB 4.08Å; I701-D704 WeakPolarHBondContact O-CA 3.37Å; I701-D704 VanDerWaalsContact O-CB 3.31Å; I701-D704 WeakPolarHBondContact O-CB 3.3Å; I701-D704 PolarHBondContact O-N 2.75Å; I701-S705 PolarHBondContact O-N 3.11Å; I701-S705 VanDerWaalsContact O-N 3.08Å | ||
| 702 | L | 84.6 | Confident | 80.8 | Confident | 100 Ų | 100 | 43.4 Ų | 43.4 | 52% | 0.524 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -54 | -45.4 | -171.7 | -172.9 | 70.2 | 0 | 0 | 0 | 113.7 | D704 S705 I706 | L702-D704 VanDerWaalsContact C-N 3.29Å; L702-D704 PolarHBondContact O-N 3.07Å; L702-S705 PolarHBondContact O-N 3.4Å; L702-I706 HydrophobicContact CG-CD1 4.15Å; L702-I706 WeakPolarHBondContact O-CG1 3.48Å; L702-I706 PolarHBondContact O-N 3.39Å |
| 703 | Y | 87.2 | Confident | 81.8 | Confident | 112 Ų | 112 | 46.3 Ų | 46.3 | 44% | 0.439 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.5 | -31.7 | 177.4 | -73.6 | -70.6 | 0 | 0 | 0 | 112.8 | I701 C707 | I701-Y703 PolarHBondContact O-N 3.13Å; Y703-C707 VanDerWaalsContact O-CB 3.26Å; Y703-C707 WeakPolarHBondContact O-CB 3.36Å; Y703-C707 PolarHBondContact O-N 3.35Å |
| 704 | D | 90.2 | Very high | 83 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.011 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.7 | -41.3 | 175.1 | -59.9 | -54 | 0 | 0 | 0 | 111.2 | Y604 N637 I641 K644 I701 L702 C707 F708 | Y604-D704 WeakPolarHBondContact CE2-OD1 3.32Å; Y604-D704 VanDerWaalsContact CZ-OD1 3.27Å; Y604-D704 PolarHBondContact OH-OD1 3.18Å; N637-D704 PolarHBondContact ND2-O 3.02Å; I641-D704 HydrophobicContact CD1-CB 4.13Å; I641-D704 HydrophobicContact CG1-CB 3.7Å; K644-D704 WeakPolarHBondContact CD-OD2 3.47Å; K644-D704 WeakPolarHBondContact CE-OD2 3.44Å; K644-D704 IonicContact NZ-OD1 3.91Å; K644-D704 IonicContact NZ-OD2 3.78Å; K644-D704 PolarHBondContact NZ-OD2 2.75Å; I701-D704 HydrophobicContact CG2-CB 4.08Å; I701-D704 WeakPolarHBondContact O-CA 3.37Å; I701-D704 VanDerWaalsContact O-CB 3.31Å; I701-D704 WeakPolarHBondContact O-CB 3.3Å; I701-D704 PolarHBondContact O-N 2.75Å; L702-D704 VanDerWaalsContact C-N 3.29Å; L702-D704 PolarHBondContact O-N 3.07Å; D704-C707 PolarHBondContact O-N 2.78Å; D704-F708 WeakPolarHBondContact O-CB 3.41Å; D704-F708 PolarHBondContact O-N 2.97Å |
| 705 | S | 90.6 | Very high | 83.9 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 6% | 0.056 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.2 | -36.3 | 176.5 | -59.6 | 0 | 0 | 0 | 0 | 112.4 | T416 I701 L702 F708 A709 | T416-S705 PolarHBondContact O-OG 3.4Å; I701-S705 PolarHBondContact O-N 3.11Å; I701-S705 VanDerWaalsContact O-N 3.08Å; L702-S705 PolarHBondContact O-N 3.4Å; S705-F708 WeakPolarHBondContact O-CB 3.33Å; S705-A709 PolarHBondContact O-N 3.21Å; S705-A709 VanDerWaalsContact O-N 3.15Å |
| 706 | I | 91.4 | Very high | 85 | Confident | 76 Ų | 76 | 39.8 Ų | 39.8 | 39% | 0.39 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.2 | -48.3 | 172.7 | -67.2 | 168 | 0 | 0 | 0 | 110.1 | L702 F708 A709 F710 | L702-I706 HydrophobicContact CG-CD1 4.15Å; L702-I706 WeakPolarHBondContact O-CG1 3.48Å; L702-I706 PolarHBondContact O-N 3.39Å; I706-F708 VanDerWaalsContact C-N 3.29Å; I706-F708 PolarHBondContact O-N 3.08Å; I706-A709 WeakPolarHBondContact O-CB 3.36Å; I706-A709 PolarHBondContact O-N 2.75Å; I706-A709 VanDerWaalsContact O-N 3.12Å; I706-F710 HydrophobicContact CG2-CD2 3.92Å; I706-F710 HydrophobicContact CG2-CE2 3.79Å; I706-F710 WeakPolarHBondContact O-CD2 3.45Å; I706-F710 PolarHBondContact O-N 2.69Å |
| 707 | C | 93.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -55.3 | -45.8 | 176.2 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | A592 Y703 D704 A709 F710 L711 | A592-C707 HydrophobicContact CB-CB 3.98Å; Y703-C707 VanDerWaalsContact O-CB 3.26Å; Y703-C707 WeakPolarHBondContact O-CB 3.36Å; Y703-C707 PolarHBondContact O-N 3.35Å; D704-C707 PolarHBondContact O-N 2.78Å; C707-A709 VanDerWaalsContact C-N 3.34Å; C707-A709 PolarHBondContact O-N 3.48Å; C707-F710 PolarHBondContact O-N 2.96Å; C707-L711 VanDerWaalsContact O-CG 3.31Å; C707-L711 WeakPolarHBondContact O-CG 3.41Å; C707-L711 PolarHBondContact O-N 2.98Å |
| 708 | F | 94.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -54.1 | -47.1 | 174.7 | -177.5 | -100.1 | 0 | 0 | 0 | 112.8 | F412 T416 L434 L634 N637 I638 D704 S705 I706 F710 L711 I712 | F412-F708 HydrophobicContact CB-CE1 3.86Å; F412-F708 HydrophobicContact CB-CZ 3.99Å; T416-F708 HydrophobicContact CG2-CD1 3.47Å; T416-F708 VanDerWaalsContact CG2-CD1 3.47Å; T416-F708 HydrophobicContact CG2-CD2 4.27Å; T416-F708 HydrophobicContact CG2-CE1 3.52Å; T416-F708 HydrophobicContact CG2-CE2 4.32Å; T416-F708 HydrophobicContact CG2-CG 3.84Å; T416-F708 HydrophobicContact CG2-CZ 3.94Å; L434-F708 HydrophobicContact CD1-CZ 4.02Å; L434-F708 HydrophobicContact CD2-CE2 4.16Å; L434-F708 HydrophobicContact CD2-CZ 3.97Å; L434-F708 HydrophobicContact CG-CZ 4.36Å; L634-F708 HydrophobicContact CD1-CD2 3.8Å; L634-F708 HydrophobicContact CD1-CE2 3.78Å; N637-F708 VanDerWaalsContact OD1-CB 3.25Å; N637-F708 WeakPolarHBondContact OD1-CB 3.26Å; N637-F708 WeakPolarHBondContact OD1-CD2 3.44Å; I638-F708 HydrophobicContact CD1-CE2 3.99Å; I638-F708 HydrophobicContact CG1-CD2 4.15Å; I638-F708 HydrophobicContact CG1-CE2 3.79Å; D704-F708 WeakPolarHBondContact O-CB 3.41Å; D704-F708 PolarHBondContact O-N 2.97Å; S705-F708 WeakPolarHBondContact O-CB 3.33Å; I706-F708 VanDerWaalsContact C-N 3.29Å; I706-F708 PolarHBondContact O-N 3.08Å; F708-F710 PolarHBondContact O-N 2.88Å; F708-L711 PolarHBondContact O-N 2.81Å; F708-I712 HydrophobicContact CD1-CD1 4.25Å; F708-I712 HydrophobicContact CD1-CG1 4.47Å; F708-I712 HydrophobicContact CE1-CD1 3.42Å; F708-I712 VanDerWaalsContact CE1-CD1 3.42Å; F708-I712 HydrophobicContact CE1-CG1 4.09Å; F708-I712 HydrophobicContact CE2-CD1 3.77Å; F708-I712 HydrophobicContact CE2-CG1 4.17Å; F708-I712 HydrophobicContact CZ-CD1 3.15Å; F708-I712 HydrophobicContact CZ-CG1 3.95Å; F708-I712 PolarHBondContact O-N 2.74Å |
| 709 | A | 93.6 | Very high | 87.8 | Confident | 19 Ų | 19 | 32 Ų | 32 | 16% | 0.157 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.9 | -47.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I413 S705 I706 C707 I712 F713 | I413-A709 HydrophobicContact CD1-CB 3.92Å; I413-A709 HydrophobicContact CG1-CB 3.94Å; I413-A709 HydrophobicContact CG2-CB 4.45Å; S705-A709 PolarHBondContact O-N 3.21Å; S705-A709 VanDerWaalsContact O-N 3.15Å; I706-A709 WeakPolarHBondContact O-CB 3.36Å; I706-A709 PolarHBondContact O-N 2.75Å; I706-A709 VanDerWaalsContact O-N 3.12Å; C707-A709 VanDerWaalsContact C-N 3.34Å; C707-A709 PolarHBondContact O-N 3.48Å; A709-I712 PolarHBondContact O-N 2.98Å; A709-F713 WeakPolarHBondContact O-CD2 3.32Å; A709-F713 PolarHBondContact O-N 2.99Å |
| 710 | F | 94.2 | Very high | 88.6 | Confident | 55 Ų | 55 | 33 Ų | 33 | 24% | 0.241 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.4 | -43.6 | 177 | -80.6 | -80 | 0 | 0 | 0 | 112.5 | F581 L584 T585 A588 I706 C707 F708 I712 F713 Q714 | F581-F710 HydrophobicContact CE1-CD1 4.14Å; F581-F710 HydrophobicContact CE2-CD1 4.19Å; F581-F710 HydrophobicContact CE2-CE1 4.1Å; F581-F710 AromaticContact CZ-CD1 3.66Å; F581-F710 HydrophobicContact CZ-CD1 3.66Å; F581-F710 HydrophobicContact CZ-CE1 4Å; L584-F710 HydrophobicContact CD2-CD1 4.5Å; L584-F710 HydrophobicContact CD2-CE1 3.63Å; L584-F710 HydrophobicContact CD2-CZ 4.39Å; L584-F710 HydrophobicContact CG-CD1 4.33Å; L584-F710 HydrophobicContact CG-CE1 3.7Å; L584-F710 HydrophobicContact CG-CZ 4.39Å; T585-F710 HydrophobicContact CG2-CB 3.95Å; T585-F710 HydrophobicContact CG2-CD1 4.07Å; T585-F710 HydrophobicContact CG2-CG 4.49Å; A588-F710 HydrophobicContact CB-CB 4.02Å; A588-F710 HydrophobicContact CB-CD2 3.57Å; A588-F710 HydrophobicContact CB-CE2 4.18Å; A588-F710 HydrophobicContact CB-CG 3.79Å; I706-F710 HydrophobicContact CG2-CD2 3.92Å; I706-F710 HydrophobicContact CG2-CE2 3.79Å; I706-F710 WeakPolarHBondContact O-CD2 3.45Å; I706-F710 PolarHBondContact O-N 2.69Å; C707-F710 PolarHBondContact O-N 2.96Å; F708-F710 PolarHBondContact O-N 2.88Å; F710-I712 VanDerWaalsContact C-N 3.33Å; F710-I712 PolarHBondContact O-N 2.76Å; F710-F713 PolarHBondContact O-N 2.94Å; F710-Q714 WeakPolarHBondContact O-CB 3.26Å; F710-Q714 PolarHBondContact O-N 2.96Å |
| 711 | L | 93.8 | Very high | 89 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.9 | -41.6 | 179.1 | -70.1 | 176.3 | 0 | 0 | 0 | 112.1 | V589 W630 L633 L634 N637 C707 F708 L715 | V589-L711 HydrophobicContact CG2-CD2 3.92Å; V589-L711 HydrophobicContact CG2-CG 4.46Å; W630-L711 HydrophobicContact CH2-CD2 4.33Å; W630-L711 HydrophobicContact CZ2-CD2 3.57Å; W630-L711 PolarHBondContact NE1-O 2.7Å; L633-L711 HydrophobicContact CD2-CD1 4.43Å; L633-L711 HydrophobicContact CD2-CD2 3.55Å; L633-L711 HydrophobicContact CG-CD1 4.07Å; L633-L711 HydrophobicContact CG-CD2 4.05Å; L634-L711 HydrophobicContact CD1-CB 3.99Å; L634-L711 HydrophobicContact CD1-CD1 4.49Å; N637-L711 HydrophobicContact CB-CD1 4.14Å; C707-L711 VanDerWaalsContact O-CG 3.31Å; C707-L711 WeakPolarHBondContact O-CG 3.41Å; C707-L711 PolarHBondContact O-N 2.98Å; F708-L711 PolarHBondContact O-N 2.81Å; L711-L715 WeakPolarHBondContact O-CB 3.46Å; L711-L715 PolarHBondContact O-N 2.75Å |
| 712 | I | 92.5 | Very high | 89.1 | Confident | 11 Ų | 11 | 34 Ų | 34 | 6% | 0.056 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.4 | -45.6 | 176.8 | -73.4 | -153.8 | 0 | 0 | 0 | 111.8 | E409 F412 L634 F708 A709 F710 Q714 L715 R716 | E409-I712 HydrophobicContact CB-CG2 3.65Å; E409-I712 HydrophobicContact CG-CG2 3.47Å; E409-I712 VanDerWaalsContact CG-CG2 3.47Å; F412-I712 HydrophobicContact CB-CD1 3.93Å; F412-I712 HydrophobicContact CD2-CD1 3.79Å; F412-I712 HydrophobicContact CG-CD1 4.33Å; L634-I712 HydrophobicContact CD1-CG1 3.83Å; L634-I712 HydrophobicContact CD2-CG1 4.44Å; F708-I712 HydrophobicContact CD1-CD1 4.25Å; F708-I712 HydrophobicContact CD1-CG1 4.47Å; F708-I712 HydrophobicContact CE1-CD1 3.42Å; F708-I712 VanDerWaalsContact CE1-CD1 3.42Å; F708-I712 HydrophobicContact CE1-CG1 4.09Å; F708-I712 HydrophobicContact CE2-CD1 3.77Å; F708-I712 HydrophobicContact CE2-CG1 4.17Å; F708-I712 HydrophobicContact CZ-CD1 3.15Å; F708-I712 HydrophobicContact CZ-CG1 3.95Å; F708-I712 PolarHBondContact O-N 2.74Å; A709-I712 PolarHBondContact O-N 2.98Å; F710-I712 VanDerWaalsContact C-N 3.33Å; F710-I712 PolarHBondContact O-N 2.76Å; I712-Q714 VanDerWaalsContact C-N 3.29Å; I712-Q714 PolarHBondContact O-N 3.14Å; I712-L715 WeakPolarHBondContact O-CB 3.25Å; I712-L715 PolarHBondContact O-N 3.47Å; I712-R716 PolarHBondContact O-N 3.24Å |
| 713 | F | 91.1 | Very high | 89.1 | Confident | 71 Ų | 71 | 29.5 Ų | 29.5 | 31% | 0.311 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -60.7 | -39.8 | 177 | -87.6 | -66.5 | 0 | 0 | 0 | 111.9 | F406 I413 F581 A709 F710 R716 I717 | F406-F713 HydrophobicContact CD1-CE1 4.2Å; I413-F713 HydrophobicContact CD1-CD2 4.04Å; I413-F713 HydrophobicContact CD1-CE2 3.42Å; I413-F713 VanDerWaalsContact CD1-CE2 3.42Å; I413-F713 HydrophobicContact CD1-CZ 4.11Å; F581-F713 HydrophobicContact CE1-CB 3.88Å; F581-F713 HydrophobicContact CZ-CB 3.83Å; A709-F713 WeakPolarHBondContact O-CD2 3.32Å; A709-F713 PolarHBondContact O-N 2.99Å; F710-F713 PolarHBondContact O-N 2.94Å; F713-R716 WeakPolarHBondContact O-CB 3.44Å; F713-R716 PolarHBondContact O-N 2.83Å; F713-R716 VanDerWaalsContact O-N 3.16Å; F713-I717 WeakPolarHBondContact O-CG1 3.33Å; F713-I717 PolarHBondContact O-N 2.81Å |
| 714 | Q | 91.5 | Very high | 88.7 | Confident | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.009 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68 | -37.3 | 176.4 | -174.7 | 61.8 | -7.1 | 0 | 0 | 112.5 | F581 T585 W630 F710 I712 R716 I717 F718 | F581-Q714 HydrophobicContact CD1-CB 4.32Å; F581-Q714 VanDerWaalsContact CD1-OE1 3.25Å; F581-Q714 HydrophobicContact CE1-CB 4.24Å; T585-Q714 HydrophobicContact CG2-CB 3.64Å; T585-Q714 HydrophobicContact CG2-CG 4.08Å; W630-Q714 HydrophobicContact CH2-CG 3.87Å; W630-Q714 HydrophobicContact CZ2-CB 3.67Å; W630-Q714 HydrophobicContact CZ2-CG 3.4Å; F710-Q714 WeakPolarHBondContact O-CB 3.26Å; F710-Q714 PolarHBondContact O-N 2.96Å; I712-Q714 VanDerWaalsContact C-N 3.29Å; I712-Q714 PolarHBondContact O-N 3.14Å; Q714-R716 PolarHBondContact O-N 3.08Å; Q714-I717 WeakPolarHBondContact O-CB 3.42Å; Q714-I717 PolarHBondContact O-N 3.42Å; Q714-I717 VanDerWaalsContact O-N 3.16Å; Q714-F718 HydrophobicContact CG-CD2 4.34Å; Q714-F718 HydrophobicContact CG-CE1 4.03Å; Q714-F718 HydrophobicContact CG-CE2 3.75Å; Q714-F718 HydrophobicContact CG-CZ 3.58Å; Q714-F718 WeakPolarHBondContact O-CG 3.45Å; Q714-F718 PolarHBondContact O-N 2.81Å |
| 715 | L | 89.8 | Confident | 88.3 | Confident | 31 Ų | 31 | 27.5 Ų | 27.5 | 16% | 0.162 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.7 | -33.6 | 172.5 | -175.5 | 63.1 | 0 | 0 | 0 | 111.7 | I627 L634 L711 I712 N719 | I627-L715 HydrophobicContact CG2-CD1 4.03Å; L634-L715 HydrophobicContact CD2-CD2 4.27Å; L711-L715 WeakPolarHBondContact O-CB 3.46Å; L711-L715 PolarHBondContact O-N 2.75Å; I712-L715 WeakPolarHBondContact O-CB 3.25Å; I712-L715 PolarHBondContact O-N 3.47Å; L715-N719 PolarHBondContact O-N 3.33Å; L715-N719 PolarHBondContact O-ND2 3.29Å |
| 716 | R | 89.4 | Confident | 88 | Confident | 41 Ų | 41 | 27.2 Ų | 27.2 | 16% | 0.155 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.9 | -41.9 | 173.1 | -177.4 | 57.8 | 165.3 | 172.2 | -0.2 | 111.8 | K405 F406 E409 I712 F713 Q714 N719 S720 | K405-R716 PolarHBondContact O-NH2 2.83Å; F406-R716 HydrophobicContact CD1-CG 4.24Å; F406-R716 HydrophobicContact CE1-CG 4.13Å; E409-R716 WeakPolarHBondContact OE1-CD 3.4Å; E409-R716 IonicContact OE1-NE 3.44Å; I712-R716 PolarHBondContact O-N 3.24Å; F713-R716 WeakPolarHBondContact O-CB 3.44Å; F713-R716 PolarHBondContact O-N 2.83Å; F713-R716 VanDerWaalsContact O-N 3.16Å; Q714-R716 PolarHBondContact O-N 3.08Å; R716-N719 PolarHBondContact O-N 3.26Å; R716-S720 PolarHBondContact O-N 2.84Å |
| 717 | I | 88.8 | Confident | 87.5 | Confident | 17 Ų | 17 | 25 Ų | 25 | 9% | 0.087 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.8 | -46.9 | 175.1 | -72.3 | 165.6 | 0 | 0 | 0 | 111 | F578 F581 F713 Q714 N719 S720 F723 | F578-I717 HydrophobicContact CD1-CG1 4.24Å; F578-I717 HydrophobicContact CD1-CG2 3.85Å; F578-I717 HydrophobicContact CE1-CG1 4.19Å; F578-I717 HydrophobicContact CE1-CG2 4.45Å; F581-I717 HydrophobicContact CB-CD1 4.01Å; F581-I717 HydrophobicContact CD1-CD1 3.45Å; F581-I717 VanDerWaalsContact CD1-CD1 3.45Å; F581-I717 HydrophobicContact CE1-CD1 3.94Å; F581-I717 HydrophobicContact CG-CD1 3.75Å; F713-I717 WeakPolarHBondContact O-CG1 3.33Å; F713-I717 PolarHBondContact O-N 2.81Å; Q714-I717 WeakPolarHBondContact O-CB 3.42Å; Q714-I717 PolarHBondContact O-N 3.42Å; Q714-I717 VanDerWaalsContact O-N 3.16Å; I717-N719 PolarHBondContact O-N 2.76Å; I717-N719 VanDerWaalsContact O-N 3.13Å; I717-S720 WeakPolarHBondContact O-CB 3.03Å; I717-S720 PolarHBondContact O-N 3.13Å; I717-F723 HydrophobicContact CG2-CB 4.31Å; I717-F723 HydrophobicContact CG2-CD2 3.86Å; I717-F723 HydrophobicContact CG2-CG 4.28Å; I717-F723 WeakPolarHBondContact O-CB 3.44Å |
| 718 | F | 87.1 | Confident | 86.9 | Confident | 12 Ų | 12 | 25.4 Ų | 25.4 | 5% | 0.053 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.7 | -27.7 | 177.9 | -68.4 | -25.8 | 0 | 0 | 0 | 114 | M618 Y619 F626 W630 Q714 F723 | M618-F718 HydrophobicContact CE-CZ 4.09Å; Y619-F718 HydrophobicContact CD1-CE1 4.48Å; Y619-F718 HydrophobicContact CE1-CD1 4.34Å; Y619-F718 AromaticContact CE1-CE1 3.45Å; Y619-F718 HydrophobicContact CE1-CE1 3.45Å; Y619-F718 VanDerWaalsContact CE1-CE1 3.45Å; Y619-F718 AromaticContact CE1-CZ 3.82Å; Y619-F718 HydrophobicContact CE1-CZ 3.82Å; Y619-F718 AromaticContact CZ-CE1 3.89Å; F626-F718 HydrophobicContact CD2-CD2 4.33Å; F626-F718 HydrophobicContact CD2-CE2 4.45Å; F626-F718 HydrophobicContact CE2-CB 4.03Å; F626-F718 HydrophobicContact CE2-CD1 4.09Å; F626-F718 AromaticContact CE2-CD2 3.99Å; F626-F718 HydrophobicContact CE2-CD2 3.99Å; F626-F718 HydrophobicContact CE2-CE2 4.44Å; F626-F718 AromaticContact CE2-CG 3.8Å; F626-F718 HydrophobicContact CE2-CG 3.8Å; W630-F718 HydrophobicContact CB-CE2 4.46Å; W630-F718 AromaticContact CD2-CE2 3.7Å; W630-F718 HydrophobicContact CD2-CE2 3.7Å; W630-F718 AromaticContact CE3-CE2 3.9Å; W630-F718 HydrophobicContact CE3-CE2 3.9Å; W630-F718 HydrophobicContact CE3-CZ 4.36Å; W630-F718 HydrophobicContact CG-CD2 4.45Å; W630-F718 AromaticContact CG-CE2 3.96Å; W630-F718 HydrophobicContact CG-CE2 3.96Å; W630-F718 HydrophobicContact CZ2-CE2 4.48Å; W630-F718 HydrophobicContact CZ3-CE2 4.35Å; W630-F718 HydrophobicContact CZ3-CZ 4.41Å; Q714-F718 HydrophobicContact CG-CD2 4.34Å; Q714-F718 HydrophobicContact CG-CE1 4.03Å; Q714-F718 HydrophobicContact CG-CE2 3.75Å; Q714-F718 HydrophobicContact CG-CZ 3.58Å; Q714-F718 WeakPolarHBondContact O-CG 3.45Å; Q714-F718 PolarHBondContact O-N 2.81Å; F718-F723 HydrophobicContact CD1-CD1 4.09Å; F718-F723 HydrophobicContact CD1-CD2 4.41Å; F718-F723 AromaticContact CD1-CE1 3.63Å; F718-F723 HydrophobicContact CD1-CE1 3.63Å; F718-F723 HydrophobicContact CD1-CE2 4.01Å; F718-F723 HydrophobicContact CD1-CG 4.46Å; F718-F723 AromaticContact CD1-CZ 3.62Å; F718-F723 HydrophobicContact CD1-CZ 3.62Å; F718-F723 HydrophobicContact CE1-CE1 4.18Å; F718-F723 HydrophobicContact CE1-CE2 4.09Å; F718-F723 AromaticContact CE1-CZ 3.73Å; F718-F723 HydrophobicContact CE1-CZ 3.73Å |
| 719 | N | 82.5 | Confident | 86.4 | Confident | 27 Ų | 27 | 26.2 Ų | 26.2 | 14% | 0.144 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 9.1 | 177.7 | -73.7 | -65.5 | 0 | 0 | 0 | 113.6 | P539 I540 L715 R716 I717 | P539-N719 HydrophobicContact CB-CB 4.18Å; I540-N719 WeakPolarHBondContact CD1-O 3.35Å; I540-N719 WeakPolarHBondContact CG1-O 3.31Å; L715-N719 PolarHBondContact O-N 3.33Å; L715-N719 PolarHBondContact O-ND2 3.29Å; R716-N719 PolarHBondContact O-N 3.26Å; I717-N719 PolarHBondContact O-N 2.76Å; I717-N719 VanDerWaalsContact O-N 3.13Å |
| 720 | S | 82 | Confident | 85.9 | Confident | 30 Ų | 30 | 26 Ų | 26 | 21% | 0.21 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -98.4 | 151.8 | -176.7 | -172.6 | 0 | 0 | 0 | 0 | 113.4 | I540 R716 I717 Y722 F723 | I540-S720 WeakPolarHBondContact CD1-O 3.42Å; R716-S720 PolarHBondContact O-N 2.84Å; I717-S720 WeakPolarHBondContact O-CB 3.03Å; I717-S720 PolarHBondContact O-N 3.13Å; S720-Y722 VanDerWaalsContact C-N 3.33Å; S720-Y722 WeakPolarHBondContact OG-CD2 3.47Å; S720-F723 PolarHBondContact O-N 3.17Å |
| 721 | W | 78.5 | Confident | 85.1 | Confident | 71 Ų | 71 | 24.2 Ų | 24.2 | 27% | 0.269 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -70 | -32.3 | 178.8 | -76.9 | 103.5 | 0 | 0 | 0 | 111.8 | I540 L547 I559 F723 K724 | I540-W721 HydrophobicContact CD1-CB 4.14Å; I540-W721 HydrophobicContact CD1-CD2 3.65Å; I540-W721 HydrophobicContact CD1-CE3 4.3Å; I540-W721 HydrophobicContact CD1-CG 3.57Å; I540-W721 VanDerWaalsContact CD1-N 3.29Å; I540-W721 HydrophobicContact CG1-CD2 4.2Å; I540-W721 HydrophobicContact CG1-CG 4.31Å; I540-W721 HydrophobicContact CG1-CZ2 4.38Å; L547-W721 HydrophobicContact CD1-CH2 3.98Å; L547-W721 HydrophobicContact CD1-CZ2 4.48Å; I559-W721 HydrophobicContact CD1-CB 3.52Å; I559-W721 HydrophobicContact CD1-CG 4.41Å; W721-F723 PolarHBondContact O-N 3.43Å; W721-K724 HydrophobicContact CE3-CD 3.8Å; W721-K724 HydrophobicContact CZ3-CD 3.92Å; W721-K724 WeakPolarHBondContact O-CB 3.37Å; W721-K724 PolarHBondContact O-N 3.09Å; W721-K724 VanDerWaalsContact O-N 3.09Å |
| 722 | Y | 84.8 | Confident | 84.4 | Confident | 30 Ų | 30 | 24.2 Ų | 24.2 | 12% | 0.118 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58 | -37.4 | 174.1 | -61.9 | -74.3 | 0 | 0 | 0 | 112.2 | R384 D388 I559 F562 K574 F578 S720 K724 H725 | R384-Y722 PolarHBondContact NH1-OH 2.92Å; R384-Y722 PolarHBondContact NH2-OH 2.89Å; D388-Y722 VanDerWaalsContact CG-OH 3.29Å; D388-Y722 PolarHBondContact OD1-OH 2.75Å; D388-Y722 PolarHBondContact OD2-OH 3.42Å; D388-Y722 VanDerWaalsContact OD2-OH 3.13Å; I559-Y722 HydrophobicContact CD1-CD1 4.42Å; I559-Y722 HydrophobicContact CD1-CE1 4.21Å; I559-Y722 HydrophobicContact CD1-CE2 4.37Å; I559-Y722 HydrophobicContact CG2-CD1 3.76Å; I559-Y722 HydrophobicContact CG2-CE1 3.45Å; I559-Y722 VanDerWaalsContact CG2-CE1 3.45Å; F562-Y722 AromaticContact CD1-CD1 3.99Å; F562-Y722 HydrophobicContact CD1-CD1 3.99Å; F562-Y722 AromaticContact CE1-CD1 3.69Å; F562-Y722 HydrophobicContact CE1-CD1 3.69Å; F562-Y722 HydrophobicContact CE1-CG 4.31Å; F562-Y722 HydrophobicContact CZ-CD1 4.42Å; K574-Y722 HydrophobicContact CD-CD1 4.45Å; K574-Y722 HydrophobicContact CD-CE1 4.05Å; F578-Y722 HydrophobicContact CD2-CG 4.05Å; F578-Y722 HydrophobicContact CE1-CD2 4.18Å; F578-Y722 HydrophobicContact CE1-CG 4.37Å; F578-Y722 HydrophobicContact CE2-CD1 4.04Å; F578-Y722 AromaticContact CE2-CD2 3.69Å; F578-Y722 HydrophobicContact CE2-CD2 3.69Å; F578-Y722 HydrophobicContact CE2-CE2 4.38Å; F578-Y722 AromaticContact CE2-CG 3.49Å; F578-Y722 HydrophobicContact CE2-CG 3.49Å; F578-Y722 VanDerWaalsContact CE2-CG 3.49Å; F578-Y722 AromaticContact CZ-CD2 3.43Å; F578-Y722 HydrophobicContact CZ-CD2 3.43Å; F578-Y722 VanDerWaalsContact CZ-CD2 3.43Å; F578-Y722 HydrophobicContact CZ-CE2 4.18Å; F578-Y722 AromaticContact CZ-CG 3.68Å; F578-Y722 HydrophobicContact CZ-CG 3.68Å; S720-Y722 VanDerWaalsContact C-N 3.33Å; S720-Y722 WeakPolarHBondContact OG-CD2 3.47Å; Y722-K724 VanDerWaalsContact C-N 3.26Å; Y722-K724 PolarHBondContact O-N 2.74Å; Y722-H725 PolarHBondContact O-N 3.4Å |
| 723 | F | 85 | Confident | 83.8 | Confident | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.018 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.6 | -24.6 | 179.9 | -171.6 | -108.1 | 0 | 0 | 0 | 112.6 | Y619 F626 I717 F718 S720 W721 H725 V726 I727 | Y619-F723 HydrophobicContact CD1-CE1 4.12Å; Y619-F723 AromaticContact CD1-CZ 3.62Å; Y619-F723 HydrophobicContact CD1-CZ 3.62Å; Y619-F723 HydrophobicContact CD2-CZ 4.27Å; Y619-F723 HydrophobicContact CE1-CE1 4.32Å; Y619-F723 HydrophobicContact CE1-CE2 4.44Å; Y619-F723 AromaticContact CE1-CZ 3.55Å; Y619-F723 HydrophobicContact CE1-CZ 3.55Å; Y619-F723 HydrophobicContact CE2-CZ 4.17Å; Y619-F723 AromaticContact CG-CZ 3.99Å; Y619-F723 HydrophobicContact CG-CZ 3.99Å; Y619-F723 AromaticContact CZ-CZ 3.81Å; F626-F723 HydrophobicContact CZ-CE1 4.14Å; I717-F723 HydrophobicContact CG2-CB 4.31Å; I717-F723 HydrophobicContact CG2-CD2 3.86Å; I717-F723 HydrophobicContact CG2-CG 4.28Å; I717-F723 WeakPolarHBondContact O-CB 3.44Å; F718-F723 HydrophobicContact CD1-CD1 4.09Å; F718-F723 HydrophobicContact CD1-CD2 4.41Å; F718-F723 AromaticContact CD1-CE1 3.63Å; F718-F723 HydrophobicContact CD1-CE1 3.63Å; F718-F723 HydrophobicContact CD1-CE2 4.01Å; F718-F723 HydrophobicContact CD1-CG 4.46Å; F718-F723 AromaticContact CD1-CZ 3.62Å; F718-F723 HydrophobicContact CD1-CZ 3.62Å; F718-F723 HydrophobicContact CE1-CE1 4.18Å; F718-F723 HydrophobicContact CE1-CE2 4.09Å; F718-F723 AromaticContact CE1-CZ 3.73Å; F718-F723 HydrophobicContact CE1-CZ 3.73Å; S720-F723 PolarHBondContact O-N 3.17Å; W721-F723 PolarHBondContact O-N 3.43Å; F723-H725 VanDerWaalsContact C-N 3.34Å; F723-H725 PolarHBondContact O-N 3.39Å; F723-V726 HydrophobicContact CD2-CB 4.13Å; F723-V726 HydrophobicContact CD2-CG1 4.41Å; F723-V726 HydrophobicContact CD2-CG2 4.48Å; F723-V726 HydrophobicContact CE2-CB 4.37Å; F723-V726 HydrophobicContact CE2-CG1 4.2Å; F723-V726 WeakPolarHBondContact O-CA 3.46Å; F723-V726 WeakPolarHBondContact O-CB 3.31Å; F723-V726 PolarHBondContact O-N 3.36Å; F723-V726 VanDerWaalsContact O-N 3.12Å; F723-I727 HydrophobicContact CD1-CD1 3.79Å; F723-I727 HydrophobicContact CD1-CG1 4Å; F723-I727 HydrophobicContact CE1-CD1 3.68Å; F723-I727 HydrophobicContact CE1-CG1 3.69Å; F723-I727 HydrophobicContact CZ-CG1 4.24Å; F723-I727 WeakPolarHBondContact O-CG1 3.41Å; F723-I727 PolarHBondContact O-N 3.33Å |
| 724 | K | 78.5 | Confident | 83.1 | Confident | 47 Ų | 47 | 24 Ų | 24 | 20% | 0.204 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.6 | -36.2 | 173.7 | -67.5 | -170.6 | 168.7 | 173 | 0 | 112.7 | W721 Y722 V726 I727 V728 Y942 | W721-K724 HydrophobicContact CE3-CD 3.8Å; W721-K724 HydrophobicContact CZ3-CD 3.92Å; W721-K724 WeakPolarHBondContact O-CB 3.37Å; W721-K724 PolarHBondContact O-N 3.09Å; W721-K724 VanDerWaalsContact O-N 3.09Å; Y722-K724 VanDerWaalsContact C-N 3.26Å; Y722-K724 PolarHBondContact O-N 2.74Å; K724-V726 PolarHBondContact O-N 2.81Å; K724-I727 PolarHBondContact O-N 2.88Å; K724-V728 WeakPolarHBondContact O-CG2 3.45Å; K724-V728 PolarHBondContact O-N 3.31Å; K724-Y942 HydrophobicContact CB-CE1 3.86Å; K724-Y942 HydrophobicContact CD-CE1 4.4Å |
| 725 | H | 82.1 | Confident | 82.3 | Confident | 25 Ų | 25 | 24.8 Ų | 24.8 | 12% | 0.116 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.1 | -35.6 | 172.2 | -70.4 | -80.8 | 0 | 0 | 0 | 111.2 | F562 I563 Y722 F723 V728 E729 Y942 | F562-H725 HydrophobicContact CE1-CB 4.02Å; F562-H725 HydrophobicContact CZ-CB 4.48Å; I563-H725 HydrophobicContact CD1-CB 3.99Å; Y722-H725 PolarHBondContact O-N 3.4Å; F723-H725 VanDerWaalsContact C-N 3.34Å; F723-H725 PolarHBondContact O-N 3.39Å; H725-V728 PolarHBondContact O-N 3.35Å; H725-E729 VanDerWaalsContact O-CB 3.29Å; H725-E729 WeakPolarHBondContact O-CB 3.48Å; H725-E729 PolarHBondContact O-N 3.05Å; H725-Y942 PolarHBondContact CE1-OH 2.82Å; H725-Y942 PolarHBondContact ND1-OH 2.83Å |
| 726 | V | 84.8 | Confident | 81.7 | Confident | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.012 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -66.9 | -38.9 | 173.7 | -177.7 | 0 | 0 | 0 | 0 | 111.6 | F562 I563 F578 F723 K724 E729 I730 | F562-V726 HydrophobicContact CZ-CG2 4.44Å; I563-V726 HydrophobicContact CD1-CB 4.32Å; I563-V726 HydrophobicContact CD1-CG2 3.72Å; F578-V726 HydrophobicContact CB-CG2 3.85Å; F723-V726 HydrophobicContact CD2-CB 4.13Å; F723-V726 HydrophobicContact CD2-CG1 4.41Å; F723-V726 HydrophobicContact CD2-CG2 4.48Å; F723-V726 HydrophobicContact CE2-CB 4.37Å; F723-V726 HydrophobicContact CE2-CG1 4.2Å; F723-V726 WeakPolarHBondContact O-CA 3.46Å; F723-V726 WeakPolarHBondContact O-CB 3.31Å; F723-V726 PolarHBondContact O-N 3.36Å; F723-V726 VanDerWaalsContact O-N 3.12Å; K724-V726 PolarHBondContact O-N 2.81Å; V726-E729 WeakPolarHBondContact O-CB 3.41Å; V726-E729 PolarHBondContact O-N 3.28Å; V726-I730 HydrophobicContact CG1-CD1 3.9Å; V726-I730 HydrophobicContact CG1-CG1 4.42Å; V726-I730 VanDerWaalsContact O-CG1 3.29Å; V726-I730 WeakPolarHBondContact O-CG1 3.46Å; V726-I730 PolarHBondContact O-N 2.64Å |
| 727 | I | 81.1 | Confident | 80.9 | Confident | 31 Ų | 31 | 22.2 Ų | 22.2 | 16% | 0.159 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.6 | -45.1 | 174.7 | -64.8 | 169.9 | 0 | 0 | 0 | 110.6 | F723 K724 E729 I730 K731 | F723-I727 HydrophobicContact CD1-CD1 3.79Å; F723-I727 HydrophobicContact CD1-CG1 4Å; F723-I727 HydrophobicContact CE1-CD1 3.68Å; F723-I727 HydrophobicContact CE1-CG1 3.69Å; F723-I727 HydrophobicContact CZ-CG1 4.24Å; F723-I727 WeakPolarHBondContact O-CG1 3.41Å; F723-I727 PolarHBondContact O-N 3.33Å; K724-I727 PolarHBondContact O-N 2.88Å; I727-E729 VanDerWaalsContact C-N 3.31Å; I727-E729 PolarHBondContact O-N 3.28Å; I727-I730 PolarHBondContact O-N 3.23Å; I727-K731 HydrophobicContact CG2-CD 4.44Å; I727-K731 HydrophobicContact CG2-CG 4.44Å; I727-K731 WeakPolarHBondContact O-CB 3.37Å; I727-K731 WeakPolarHBondContact O-CG 3.46Å; I727-K731 PolarHBondContact O-N 3.23Å |
| 728 | V | 79.7 | Confident | 80.1 | Confident | 8 Ų | 8 | 23.1 Ų | 23.1 | 5% | 0.048 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.4 | -40.3 | 176.3 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | K724 H725 K731 A732 K934 L941 Y942 | K724-V728 WeakPolarHBondContact O-CG2 3.45Å; K724-V728 PolarHBondContact O-N 3.31Å; H725-V728 PolarHBondContact O-N 3.35Å; V728-K731 PolarHBondContact O-N 3.21Å; V728-A732 WeakPolarHBondContact O-CB 3.5Å; V728-A732 PolarHBondContact O-N 2.84Å; V728-K934 HydrophobicContact CG1-CG 4.36Å; V728-L941 HydrophobicContact CG1-CB 4.04Å; V728-L941 HydrophobicContact CG1-CD2 3.86Å; V728-L941 HydrophobicContact CG2-CB 4.41Å; V728-Y942 HydrophobicContact CG2-CD1 3.75Å; V728-Y942 HydrophobicContact CG2-CD2 3.92Å; V728-Y942 HydrophobicContact CG2-CE1 3.62Å; V728-Y942 HydrophobicContact CG2-CE2 3.73Å; V728-Y942 HydrophobicContact CG2-CG 3.88Å |
| 729 | E | 84.6 | Confident | 79.4 | Confident | 17 Ų | 17 | 22.9 Ų | 22.9 | 8% | 0.079 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57.8 | -49.8 | 172.8 | 178.5 | 75.8 | 175.2 | 0 | 0 | 111.8 | I563 K579 H725 V726 I727 A732 E733 K930 K934 | I563-E729 HydrophobicContact CD1-CB 4.08Å; I563-E729 HydrophobicContact CD1-CG 4.43Å; I563-E729 HydrophobicContact CG2-CB 4.44Å; I563-E729 HydrophobicContact CG2-CG 3.9Å; I563-E729 WeakPolarHBondContact CG2-OE1 3.31Å; K579-E729 IonicContact NZ-OE1 3.64Å; H725-E729 VanDerWaalsContact O-CB 3.29Å; H725-E729 WeakPolarHBondContact O-CB 3.48Å; H725-E729 PolarHBondContact O-N 3.05Å; V726-E729 WeakPolarHBondContact O-CB 3.41Å; V726-E729 PolarHBondContact O-N 3.28Å; I727-E729 VanDerWaalsContact C-N 3.31Å; I727-E729 PolarHBondContact O-N 3.28Å; E729-A732 PolarHBondContact O-N 2.96Å; E729-E733 WeakPolarHBondContact O-CG 3.43Å; E729-E733 PolarHBondContact O-N 3Å; E729-K930 WeakPolarHBondContact O-CE 3.41Å; E729-K930 PolarHBondContact O-NZ 2.97Å; E729-K930 WeakPolarHBondContact OE1-CE 3.4Å; E729-K930 IonicContact OE1-NZ 3.34Å; E729-K930 PolarHBondContact OE1-NZ 3.32Å; E729-K930 WeakPolarHBondContact OE2-CE 2.98Å; E729-K930 IonicContact OE2-NZ 2.84Å; E729-K930 PolarHBondContact OE2-NZ 3.07Å; E729-K930 VanDerWaalsContact OE2-NZ 3.11Å; E729-K934 WeakPolarHBondContact OE2-CE 3.43Å; E729-K934 IonicContact OE2-NZ 3.87Å; E729-K934 PolarHBondContact OE2-NZ 3.07Å |
| 730 | I | 81.6 | Confident | 79.2 | Confident | 13 Ų | 13 | 21.6 Ų | 21.6 | 7% | 0.067 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68.2 | -38.3 | -179 | -69.2 | 172.5 | 0 | 0 | 0 | 111.5 | N616 Y619 L620 V726 I727 A732 E733 Q734 | N616-I730 HydrophobicContact CB-CD1 4.3Å; N616-I730 HydrophobicContact CB-CG2 4.28Å; Y619-I730 HydrophobicContact CD2-CD1 3.53Å; Y619-I730 HydrophobicContact CE2-CD1 4.05Å; L620-I730 HydrophobicContact CD2-CG2 4.34Å; V726-I730 HydrophobicContact CG1-CD1 3.9Å; V726-I730 HydrophobicContact CG1-CG1 4.42Å; V726-I730 VanDerWaalsContact O-CG1 3.29Å; V726-I730 WeakPolarHBondContact O-CG1 3.46Å; V726-I730 PolarHBondContact O-N 2.64Å; I727-I730 PolarHBondContact O-N 3.23Å; I730-A732 VanDerWaalsContact C-N 3.33Å; I730-E733 PolarHBondContact O-N 3.01Å; I730-Q734 PolarHBondContact O-N 3.19Å |
| 731 | K | 79 | Confident | 78.9 | Confident | 18 Ų | 18 | 20.9 Ų | 20.9 | 8% | 0.078 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.3 | -44.5 | 171.8 | -76.8 | -175 | 176.2 | -167.1 | 0 | 111 | L620 I727 V728 Q734 I735 L941 T943 | L620-K731 HydrophobicContact CD2-CG 4.11Å; I727-K731 HydrophobicContact CG2-CD 4.44Å; I727-K731 HydrophobicContact CG2-CG 4.44Å; I727-K731 WeakPolarHBondContact O-CB 3.37Å; I727-K731 WeakPolarHBondContact O-CG 3.46Å; I727-K731 PolarHBondContact O-N 3.23Å; V728-K731 PolarHBondContact O-N 3.21Å; K731-Q734 PolarHBondContact O-N 3.28Å; K731-I735 WeakPolarHBondContact O-CG1 3.3Å; K731-I735 PolarHBondContact O-N 2.94Å; K731-I735 VanDerWaalsContact O-N 3.15Å; K731-L941 VanDerWaalsContact CD-O 3.31Å; K731-L941 WeakPolarHBondContact CD-O 3.18Å; K731-L941 PolarHBondContact NZ-O 3.25Å; K731-T943 PolarHBondContact NZ-O 3.01Å |
| 732 | A | 78.8 | Confident | 78.5 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65 | -41.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V728 E729 I730 Q734 I735 F736 K930 L933 L941 | V728-A732 WeakPolarHBondContact O-CB 3.5Å; V728-A732 PolarHBondContact O-N 2.84Å; E729-A732 PolarHBondContact O-N 2.96Å; I730-A732 VanDerWaalsContact C-N 3.33Å; A732-Q734 VanDerWaalsContact C-N 3.26Å; A732-Q734 PolarHBondContact O-N 3.04Å; A732-I735 PolarHBondContact O-N 2.98Å; A732-F736 WeakPolarHBondContact O-CB 3.47Å; A732-F736 VanDerWaalsContact O-CD2 3.25Å; A732-F736 WeakPolarHBondContact O-CD2 3.25Å; A732-F736 PolarHBondContact O-N 2.87Å; A732-K930 HydrophobicContact CB-CD 4.38Å; A732-K930 HydrophobicContact CB-CG 3.86Å; A732-L933 HydrophobicContact CB-CD2 4.34Å; A732-L941 HydrophobicContact CB-CD2 3.96Å |
| 733 | E | 80 | Confident | 78 | Confident | 28 Ų | 28 | 19.4 Ų | 19.4 | 13% | 0.131 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -56.8 | -39.5 | 172.3 | -69.6 | 174.3 | 179.7 | 0 | 0 | 111.8 | K579 E729 I730 S737 K930 | K579-E733 IonicContact NZ-OE1 3.13Å; K579-E733 PolarHBondContact NZ-OE1 3.27Å; E729-E733 WeakPolarHBondContact O-CG 3.43Å; E729-E733 PolarHBondContact O-N 3Å; I730-E733 PolarHBondContact O-N 3.01Å; E733-S737 WeakPolarHBondContact O-CB 3.36Å; E733-S737 PolarHBondContact O-N 2.74Å; E733-K930 IonicContact OE1-NZ 2.92Å; E733-K930 PolarHBondContact OE1-NZ 3Å |
| 734 | Q | 76.8 | Confident | 77.6 | Confident | 50 Ų | 50 | 20.7 Ų | 20.7 | 23% | 0.234 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.6 | -36.4 | 179.3 | -169.2 | -173.5 | 3.5 | 0 | 0 | 113.3 | L620 I730 K731 A732 S737 | L620-Q734 VanDerWaalsContact CD1-CD 3.47Å; I730-Q734 PolarHBondContact O-N 3.19Å; K731-Q734 PolarHBondContact O-N 3.28Å; A732-Q734 VanDerWaalsContact C-N 3.26Å; A732-Q734 PolarHBondContact O-N 3.04Å; Q734-S737 WeakPolarHBondContact O-CB 3.03Å; Q734-S737 PolarHBondContact O-OG 2.95Å |
| 735 | I | 73.4 | Confident | 77.2 | Confident | 19 Ų | 19 | 22.1 Ų | 22.1 | 10% | 0.097 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.4 | -50.4 | 175.6 | -63.5 | 161.7 | 0 | 0 | 0 | 109.7 | K731 A732 S737 L933 L950 V954 | K731-I735 WeakPolarHBondContact O-CG1 3.3Å; K731-I735 PolarHBondContact O-N 2.94Å; K731-I735 VanDerWaalsContact O-N 3.15Å; A732-I735 PolarHBondContact O-N 2.98Å; I735-S737 PolarHBondContact O-N 3.09Å; I735-L933 HydrophobicContact CD1-CD2 3.93Å; I735-L950 HydrophobicContact CD1-CD2 3.23Å; I735-L950 HydrophobicContact CD1-CG 3.93Å; I735-L950 HydrophobicContact CG1-CD2 3.74Å; I735-V954 HydrophobicContact CD1-CG2 4.33Å; I735-V954 HydrophobicContact CG2-CG1 4.49Å; I735-V954 HydrophobicContact CG2-CG2 4.2Å |
| 736 | F | 77.3 | Confident | 76.8 | Confident | 12 Ų | 12 | 25.4 Ų | 25.4 | 5% | 0.053 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -72.7 | -6.7 | -178.5 | -78.8 | -68.3 | 0 | 0 | 0 | 114 | A732 A738 R739 G740 L926 E929 K930 L933 I963 | A732-F736 WeakPolarHBondContact O-CB 3.47Å; A732-F736 VanDerWaalsContact O-CD2 3.25Å; A732-F736 WeakPolarHBondContact O-CD2 3.25Å; A732-F736 PolarHBondContact O-N 2.87Å; F736-A738 VanDerWaalsContact C-N 3.25Å; F736-A738 PolarHBondContact O-N 3.37Å; F736-R739 HydrophobicContact CD1-CB 4.09Å; F736-R739 HydrophobicContact CD1-CG 4.26Å; F736-R739 WeakPolarHBondContact O-CB 3.45Å; F736-R739 PolarHBondContact O-N 3.16Å; F736-R739 VanDerWaalsContact O-N 3.1Å; F736-G740 PolarHBondContact O-N 3.44Å; F736-L926 HydrophobicContact CB-CD2 4.19Å; F736-L926 HydrophobicContact CD1-CD2 4.39Å; F736-E929 HydrophobicContact CD1-CB 4.35Å; F736-E929 HydrophobicContact CE1-CB 3.57Å; F736-E929 HydrophobicContact CZ-CB 3.89Å; F736-E929 WeakPolarHBondContact CZ-O 3.31Å; F736-K930 HydrophobicContact CD2-CB 4.08Å; F736-K930 HydrophobicContact CD2-CG 4.33Å; F736-K930 VanDerWaalsContact CE2-CA 3.44Å; F736-K930 HydrophobicContact CE2-CB 3.97Å; F736-K930 HydrophobicContact CE2-CG 4.37Å; F736-L933 HydrophobicContact CD2-CD2 4.19Å; F736-L933 HydrophobicContact CE2-CB 3.67Å; F736-L933 HydrophobicContact CE2-CD2 3.39Å; F736-L933 HydrophobicContact CE2-CG 4.09Å; F736-L933 HydrophobicContact CZ-CB 3.8Å; F736-L933 HydrophobicContact CZ-CD2 4.06Å; F736-L933 HydrophobicContact CZ-CG 4.4Å; F736-I963 HydrophobicContact CE1-CD1 4.31Å; F736-I963 HydrophobicContact CE1-CG2 3.78Å; F736-I963 HydrophobicContact CZ-CD1 4.09Å |
| 737 | S | 72.9 | Confident | 76.2 | Confident | 6 Ų | 6 | 26.7 Ų | 26.7 | 4% | 0.042 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -55.8 | -42.8 | 173.6 | 103.1 | 0 | 0 | 0 | 0 | 110.8 | E733 Q734 I735 R739 G740 A741 L1116 G1117 R1120 | E733-S737 WeakPolarHBondContact O-CB 3.36Å; E733-S737 PolarHBondContact O-N 2.74Å; Q734-S737 WeakPolarHBondContact O-CB 3.03Å; Q734-S737 PolarHBondContact O-OG 2.95Å; I735-S737 PolarHBondContact O-N 3.09Å; S737-R739 VanDerWaalsContact C-N 3.3Å; S737-R739 PolarHBondContact O-N 3.28Å; S737-G740 PolarHBondContact O-N 3.19Å; S737-A741 PolarHBondContact O-N 3.44Å; S737-L1116 CarbonylContact O-C 3.53Å; S737-G1117 VanDerWaalsContact O-CA 3.27Å; S737-G1117 WeakPolarHBondContact O-CA 3.13Å; S737-G1117 WeakPolarHBondContact OG-CA 3.45Å; S737-R1120 PolarHBondContact OG-NH1 3.31Å |
| 738 | A | 71.1 | Confident | 75.8 | Confident | 36 Ų | 36 | 27.4 Ų | 27.4 | 30% | 0.298 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -64.1 | -38.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F736 A741 I742 | F736-A738 VanDerWaalsContact C-N 3.25Å; F736-A738 PolarHBondContact O-N 3.37Å; A738-A741 PolarHBondContact O-N 2.99Å; A738-I742 WeakPolarHBondContact O-CD1 3.12Å; A738-I742 VanDerWaalsContact O-CG1 3.28Å; A738-I742 WeakPolarHBondContact O-CG1 3.25Å; A738-I742 PolarHBondContact O-N 3.27Å; A738-I742 VanDerWaalsContact O-N 3.09Å |
| 739 | R | 73.4 | Confident | 75.3 | Confident | 7 Ų | 7 | 31.1 Ų | 31.1 | 3% | 0.026 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.5 | -40.7 | 179 | -178.3 | 56.8 | 170.3 | 156 | -1 | 112.6 | F736 S737 A741 I742 L743 L926 E929 I963 | F736-R739 HydrophobicContact CD1-CB 4.09Å; F736-R739 HydrophobicContact CD1-CG 4.26Å; F736-R739 WeakPolarHBondContact O-CB 3.45Å; F736-R739 PolarHBondContact O-N 3.16Å; F736-R739 VanDerWaalsContact O-N 3.1Å; S737-R739 VanDerWaalsContact C-N 3.3Å; S737-R739 PolarHBondContact O-N 3.28Å; R739-A741 VanDerWaalsContact C-N 3.34Å; R739-A741 PolarHBondContact O-N 3.36Å; R739-I742 PolarHBondContact O-N 2.83Å; R739-L743 HydrophobicContact CG-CD1 4.37Å; R739-L743 WeakPolarHBondContact O-CG 3.42Å; R739-L743 PolarHBondContact O-N 2.99Å; R739-L926 HydrophobicContact CB-CD2 4.28Å; R739-L926 HydrophobicContact CG-CD2 4.07Å; R739-E929 WeakPolarHBondContact CG-OE2 3.47Å; R739-E929 IonicContact CZ-OE1 3.02Å; R739-E929 IonicContact NE-OE1 3.29Å; R739-E929 PolarHBondContact NE-OE1 3.3Å; R739-E929 VanDerWaalsContact NE-OE1 3.11Å; R739-E929 IonicContact NE-OE2 3.24Å; R739-E929 PolarHBondContact NE-OE2 3.44Å; R739-E929 IonicContact NH2-OE1 3.1Å; R739-E929 PolarHBondContact NH2-OE1 3.11Å; R739-I963 VanDerWaalsContact CZ-O 3.3Å; R739-I963 PolarHBondContact NE-O 3.24Å; R739-I963 PolarHBondContact NH2-O 3.42Å |
| 740 | G | 78 | Confident | 74.7 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.6 | -43.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F736 S737 L743 I744 L1116 | F736-G740 PolarHBondContact O-N 3.44Å; S737-G740 PolarHBondContact O-N 3.19Å; G740-L743 PolarHBondContact O-N 3.25Å; G740-I744 WeakPolarHBondContact O-CG1 3.16Å; G740-I744 PolarHBondContact O-N 2.98Å; G740-L1116 CarbonylContact C-O 3.42Å |
| 741 | A | 74.8 | Confident | 74.2 | Confident | 15 Ų | 15 | 38.2 Ų | 38.2 | 12% | 0.124 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.5 | -43.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S737 A738 R739 I744 D745 L1116 L1118 | S737-A741 PolarHBondContact O-N 3.44Å; A738-A741 PolarHBondContact O-N 2.99Å; R739-A741 VanDerWaalsContact C-N 3.34Å; R739-A741 PolarHBondContact O-N 3.36Å; A741-I744 PolarHBondContact O-N 3.43Å; A741-D745 WeakPolarHBondContact O-CB 3.39Å; A741-D745 VanDerWaalsContact O-CG 3.27Å; A741-D745 PolarHBondContact O-N 3.32Å; A741-L1116 PolarHBondContact N-O 3.19Å; A741-L1116 VanDerWaalsContact N-O 3.1Å; A741-L1118 HydrophobicContact CB-CD2 3.87Å |
| 742 | I | 71.8 | Confident | 73.7 | Confident | 66 Ų | 66 | 39.4 Ų | 39.4 | 34% | 0.338 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.8 | -44.9 | 176.7 | -68.3 | 163.4 | 0 | 0 | 0 | 111.5 | A738 R739 D745 Q746 | A738-I742 WeakPolarHBondContact O-CD1 3.12Å; A738-I742 VanDerWaalsContact O-CG1 3.28Å; A738-I742 WeakPolarHBondContact O-CG1 3.25Å; A738-I742 PolarHBondContact O-N 3.27Å; A738-I742 VanDerWaalsContact O-N 3.09Å; R739-I742 PolarHBondContact O-N 2.83Å; I742-D745 PolarHBondContact O-N 3.04Å; I742-Q746 HydrophobicContact CG2-CG 4.34Å; I742-Q746 WeakPolarHBondContact O-CB 3.14Å; I742-Q746 VanDerWaalsContact O-CG 3.25Å; I742-Q746 WeakPolarHBondContact O-CG 3.43Å; I742-Q746 PolarHBondContact O-N 2.96Å |
| 743 | L | 73.7 | Confident | 73.5 | Confident | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.2 | -43 | 179.7 | -73.7 | 170.3 | 0 | 0 | 0 | 111.7 | R739 G740 Q746 L747 V922 V925 L926 V966 | R739-L743 HydrophobicContact CG-CD1 4.37Å; R739-L743 WeakPolarHBondContact O-CG 3.42Å; R739-L743 PolarHBondContact O-N 2.99Å; G740-L743 PolarHBondContact O-N 3.25Å; L743-Q746 PolarHBondContact O-N 3.42Å; L743-L747 WeakPolarHBondContact O-CG 3.29Å; L743-L747 PolarHBondContact O-N 3.32Å; L743-V922 HydrophobicContact CB-CG1 4.48Å; L743-V922 HydrophobicContact CB-CG2 4.28Å; L743-V922 HydrophobicContact CD1-CG1 4.42Å; L743-V925 HydrophobicContact CD1-CB 4.25Å; L743-V925 HydrophobicContact CD1-CG1 3.8Å; L743-L926 HydrophobicContact CD1-CD2 4.24Å; L743-L926 HydrophobicContact CD1-CG 4.39Å; L743-V966 HydrophobicContact CD2-CG2 4.24Å |
| 744 | I | 76.8 | Confident | 73.3 | Confident | 32 Ų | 32 | 48 Ų | 48 | 16% | 0.164 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.4 | -46 | 177.5 | -68.9 | 169.3 | 0 | 0 | 0 | 110.4 | G740 A741 Q746 L747 I748 V922 L1116 L1118 | G740-I744 WeakPolarHBondContact O-CG1 3.16Å; G740-I744 PolarHBondContact O-N 2.98Å; A741-I744 PolarHBondContact O-N 3.43Å; I744-Q746 VanDerWaalsContact C-N 3.29Å; I744-Q746 PolarHBondContact O-N 3.41Å; I744-L747 PolarHBondContact O-N 3.46Å; I744-I748 HydrophobicContact CG2-CD1 3.68Å; I744-I748 HydrophobicContact CG2-CG1 4.34Å; I744-I748 WeakPolarHBondContact O-CB 3.42Å; I744-I748 VanDerWaalsContact O-CG1 3.23Å; I744-I748 WeakPolarHBondContact O-CG1 3.47Å; I744-I748 PolarHBondContact O-N 3.44Å; I744-V922 HydrophobicContact CG1-CG1 4.36Å; I744-V922 HydrophobicContact CG1-CG2 4.14Å; I744-L1116 HydrophobicContact CD1-CB 4.35Å; I744-L1116 HydrophobicContact CD1-CD1 3.94Å; I744-L1116 HydrophobicContact CD1-CD2 4.39Å; I744-L1116 HydrophobicContact CD1-CG 4.47Å; I744-L1118 HydrophobicContact CD1-CD1 4Å; I744-L1118 HydrophobicContact CD1-CD2 4.25Å; I744-L1118 HydrophobicContact CD1-CG 4.42Å |
| 745 | D | 70 | Confident | 72.9 | Confident | 77 Ų | 77 | 48.5 Ų | 48.5 | 41% | 0.412 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.3 | -33.3 | 178.5 | -69.9 | -4.8 | 0 | 0 | 0 | 111.3 | A741 I742 K749 R1041 | A741-D745 WeakPolarHBondContact O-CB 3.39Å; A741-D745 VanDerWaalsContact O-CG 3.27Å; A741-D745 PolarHBondContact O-N 3.32Å; I742-D745 PolarHBondContact O-N 3.04Å; D745-K749 VanDerWaalsContact O-CB 3.25Å; D745-K749 WeakPolarHBondContact O-CB 3.18Å; D745-K749 PolarHBondContact O-N 2.84Å; D745-R1041 IonicContact OD1-NH1 2.8Å; D745-R1041 PolarHBondContact OD1-NH1 2.82Å; D745-R1041 VanDerWaalsContact OD1-NH1 3.16Å |
| 746 | Q | 72.4 | Confident | 73 | Confident | 94 Ų | 94 | 51.9 Ų | 51.9 | 44% | 0.439 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.2 | -45.2 | 171.8 | -78.8 | 177.5 | -18.5 | 0 | 0 | 112.6 | I742 L743 I744 K749 Q750 | I742-Q746 HydrophobicContact CG2-CG 4.34Å; I742-Q746 WeakPolarHBondContact O-CB 3.14Å; I742-Q746 VanDerWaalsContact O-CG 3.25Å; I742-Q746 WeakPolarHBondContact O-CG 3.43Å; I742-Q746 PolarHBondContact O-N 2.96Å; L743-Q746 PolarHBondContact O-N 3.42Å; I744-Q746 VanDerWaalsContact C-N 3.29Å; I744-Q746 PolarHBondContact O-N 3.41Å; Q746-K749 PolarHBondContact O-N 2.79Å; Q746-Q750 WeakPolarHBondContact O-CB 3.26Å; Q746-Q750 PolarHBondContact O-N 3.14Å |
| 747 | L | 73.6 | Confident | 73 | Confident | 28 Ų | 28 | 57.9 Ų | 57.9 | 15% | 0.147 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 176.3 | -75.8 | 166.1 | 0 | 0 | 0 | 111.3 | L743 I744 K749 Q750 K751 Y921 V922 | L743-L747 WeakPolarHBondContact O-CG 3.29Å; L743-L747 PolarHBondContact O-N 3.32Å; I744-L747 PolarHBondContact O-N 3.46Å; L747-K749 VanDerWaalsContact C-N 3.32Å; L747-K749 PolarHBondContact O-N 3.06Å; L747-Q750 PolarHBondContact O-N 3.01Å; L747-K751 WeakPolarHBondContact O-CB 3.42Å; L747-K751 WeakPolarHBondContact O-CG 3.33Å; L747-K751 PolarHBondContact O-N 3.27Å; L747-Y921 HydrophobicContact CD1-CD1 4.09Å; L747-Y921 HydrophobicContact CD1-CE1 4.45Å; L747-Y921 HydrophobicContact CD2-CD1 4.45Å; L747-Y921 HydrophobicContact CD2-CE1 4.48Å; L747-V922 HydrophobicContact CD1-CG2 3.52Å |
| 748 | I | 71.6 | Confident | 73.1 | Confident | 47 Ų | 47 | 62.1 Ų | 62.1 | 24% | 0.241 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.5 | -45.7 | 175 | -69 | 169.4 | 0 | 0 | 0 | 109.8 | I744 K751 M752 | I744-I748 HydrophobicContact CG2-CD1 3.68Å; I744-I748 HydrophobicContact CG2-CG1 4.34Å; I744-I748 WeakPolarHBondContact O-CB 3.42Å; I744-I748 VanDerWaalsContact O-CG1 3.23Å; I744-I748 WeakPolarHBondContact O-CG1 3.47Å; I744-I748 PolarHBondContact O-N 3.44Å; I748-K751 PolarHBondContact O-N 3.1Å; I748-M752 HydrophobicContact CG2-CE 3.39Å; I748-M752 HydrophobicContact CG2-CG 4.4Å; I748-M752 HydrophobicContact CG2-SD 3.75Å; I748-M752 WeakPolarHBondContact O-CB 3.27Å; I748-M752 WeakPolarHBondContact O-CG 3.5Å; I748-M752 PolarHBondContact O-N 2.91Å |
| 749 | K | 69.3 | Low | 73 | Confident | 85 Ų | 85 | 63.8 Ų | 63.8 | 37% | 0.37 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 177.2 | -173.7 | -178.3 | 178.4 | 178.7 | 0 | 112 | D745 Q746 L747 M752 M753 F1129 | D745-K749 VanDerWaalsContact O-CB 3.25Å; D745-K749 WeakPolarHBondContact O-CB 3.18Å; D745-K749 PolarHBondContact O-N 2.84Å; Q746-K749 PolarHBondContact O-N 2.79Å; L747-K749 VanDerWaalsContact C-N 3.32Å; L747-K749 PolarHBondContact O-N 3.06Å; K749-M752 PolarHBondContact O-N 3.33Å; K749-M753 HydrophobicContact CD-CE 4.45Å; K749-M753 HydrophobicContact CG-CE 3.97Å; K749-M753 HydrophobicContact CG-CG 4.4Å; K749-M753 HydrophobicContact CG-SD 4.17Å; K749-M753 WeakPolarHBondContact O-CB 3.19Å; K749-M753 VanDerWaalsContact O-CG 3.25Å; K749-M753 WeakPolarHBondContact O-CG 3.36Å; K749-M753 PolarHBondContact O-N 3.31Å; K749-F1129 HydrophobicContact CD-CZ 4.42Å; K749-F1129 HydrophobicContact CG-CZ 4.33Å |
| 750 | Q | 72.2 | Confident | 73.2 | Confident | 91 Ų | 91 | 67.7 Ų | 67.7 | 43% | 0.425 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62 | -45.6 | 178.3 | -176.1 | 178.8 | -4.8 | 0 | 0 | 111.2 | Q746 L747 M753 H754 | Q746-Q750 WeakPolarHBondContact O-CB 3.26Å; Q746-Q750 PolarHBondContact O-N 3.14Å; L747-Q750 PolarHBondContact O-N 3.01Å; Q750-M753 PolarHBondContact O-N 3.42Å; Q750-H754 WeakPolarHBondContact O-CB 3.15Å; Q750-H754 PolarHBondContact O-N 3.34Å |
| 751 | K | 71.1 | Confident | 73.3 | Confident | 89 Ų | 89 | 72.4 Ų | 72.4 | 39% | 0.387 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.2 | -49.2 | 174.1 | -80.7 | -178.7 | 156.6 | -169.5 | 0 | 112.4 | L747 I748 M753 H754 Q755 E918 | L747-K751 WeakPolarHBondContact O-CB 3.42Å; L747-K751 WeakPolarHBondContact O-CG 3.33Å; L747-K751 PolarHBondContact O-N 3.27Å; I748-K751 PolarHBondContact O-N 3.1Å; K751-M753 VanDerWaalsContact C-N 3.33Å; K751-M753 PolarHBondContact O-N 3.32Å; K751-H754 PolarHBondContact O-N 2.97Å; K751-Q755 WeakPolarHBondContact O-CB 3.34Å; K751-Q755 WeakPolarHBondContact O-CG 3.41Å; K751-Q755 PolarHBondContact O-N 3.21Å; K751-E918 WeakPolarHBondContact CE-OE1 3.28Å; K751-E918 VanDerWaalsContact CE-OE2 3.28Å; K751-E918 WeakPolarHBondContact CE-OE2 3.17Å; K751-E918 IonicContact NZ-OE1 2.71Å; K751-E918 PolarHBondContact NZ-OE1 3.41Å; K751-E918 IonicContact NZ-OE2 3.24Å; K751-E918 PolarHBondContact NZ-OE2 2.82Å |
| 752 | M | 69.2 | Low | 73.2 | Confident | 43 Ų | 43 | 74.8 Ų | 74.8 | 21% | 0.212 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.5 | -42.5 | 178 | -73 | 174.2 | 177.4 | 0 | 0 | 111.4 | I748 K749 Q756 F1209 | I748-M752 HydrophobicContact CG2-CE 3.39Å; I748-M752 HydrophobicContact CG2-CG 4.4Å; I748-M752 HydrophobicContact CG2-SD 3.75Å; I748-M752 WeakPolarHBondContact O-CB 3.27Å; I748-M752 WeakPolarHBondContact O-CG 3.5Å; I748-M752 PolarHBondContact O-N 2.91Å; K749-M752 PolarHBondContact O-N 3.33Å; M752-Q756 VanDerWaalsContact O-CB 3.25Å; M752-Q756 WeakPolarHBondContact O-CB 3.38Å; M752-Q756 PolarHBondContact O-N 2.78Å; M752-F1209 HydrophobicContact SD-CB 3.95Å; M752-F1209 HydrophobicContact SD-CG 4.37Å |
| 753 | M | 74.1 | Confident | 73.4 | Confident | 81 Ų | 81 | 75.7 Ų | 75.7 | 40% | 0.399 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68 | -41.1 | 176.8 | -72.5 | -174.9 | -53.1 | 0 | 0 | 112.5 | K749 Q750 K751 Q756 K757 | K749-M753 HydrophobicContact CD-CE 4.45Å; K749-M753 HydrophobicContact CG-CE 3.97Å; K749-M753 HydrophobicContact CG-CG 4.4Å; K749-M753 HydrophobicContact CG-SD 4.17Å; K749-M753 WeakPolarHBondContact O-CB 3.19Å; K749-M753 VanDerWaalsContact O-CG 3.25Å; K749-M753 WeakPolarHBondContact O-CG 3.36Å; K749-M753 PolarHBondContact O-N 3.31Å; Q750-M753 PolarHBondContact O-N 3.42Å; K751-M753 VanDerWaalsContact C-N 3.33Å; K751-M753 PolarHBondContact O-N 3.32Å; M753-Q756 PolarHBondContact O-N 2.88Å; M753-K757 WeakPolarHBondContact O-CB 3.35Å; M753-K757 WeakPolarHBondContact O-CG 3.37Å; M753-K757 PolarHBondContact O-N 3.33Å |
| 754 | H | 75.2 | Confident | 73.8 | Confident | 128 Ų | 128 | 81.2 Ų | 81.2 | 59% | 0.593 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -66.1 | -41.5 | 178.8 | -168.2 | -46.1 | 0 | 0 | 0 | 111.1 | Q750 K751 K757 H758 | Q750-H754 WeakPolarHBondContact O-CB 3.15Å; Q750-H754 PolarHBondContact O-N 3.34Å; K751-H754 PolarHBondContact O-N 2.97Å; H754-K757 PolarHBondContact O-N 3.4Å; H754-H758 WeakPolarHBondContact O-CB 3.19Å; H754-H758 PolarHBondContact O-N 3.04Å |
| 755 | Q | 69.9 | Low | 73.8 | Confident | 59 Ų | 59 | 84.8 Ų | 84.8 | 28% | 0.276 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.7 | -40.3 | 174.6 | -76.9 | -177.1 | -19.4 | 0 | 0 | 112.2 | K751 K757 H758 E759 Y1211 | K751-Q755 WeakPolarHBondContact O-CB 3.34Å; K751-Q755 WeakPolarHBondContact O-CG 3.41Å; K751-Q755 PolarHBondContact O-N 3.21Å; Q755-K757 VanDerWaalsContact C-N 3.33Å; Q755-K757 PolarHBondContact O-N 3.25Å; Q755-H758 PolarHBondContact O-N 3.05Å; Q755-E759 WeakPolarHBondContact O-CB 3.44Å; Q755-E759 VanDerWaalsContact O-CG 3.32Å; Q755-E759 WeakPolarHBondContact O-CG 3.5Å; Q755-E759 PolarHBondContact O-N 3.25Å; Q755-Y1211 PolarHBondContact NE2-OH 3.41Å |
| 756 | Q | 74.8 | Confident | 73.9 | Confident | 91 Ų | 91 | 83.4 Ų | 83.4 | 43% | 0.425 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 174.7 | -176.7 | 175.3 | -2.6 | 0 | 0 | 111.3 | M752 M753 E759 D760 | M752-Q756 VanDerWaalsContact O-CB 3.25Å; M752-Q756 WeakPolarHBondContact O-CB 3.38Å; M752-Q756 PolarHBondContact O-N 2.78Å; M753-Q756 PolarHBondContact O-N 2.88Å; Q756-E759 PolarHBondContact O-N 3.43Å; Q756-D760 VanDerWaalsContact O-CB 3.32Å; Q756-D760 WeakPolarHBondContact O-CB 3.37Å; Q756-D760 PolarHBondContact O-N 2.88Å |
| 757 | K | 78 | Confident | 74.3 | Confident | 137 Ų | 137 | 85 Ų | 85 | 60% | 0.596 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -59.7 | -45.6 | 172.9 | -77.1 | 179.9 | 179 | -173.9 | 0 | 111.8 | M753 H754 Q755 E759 D760 E761 | M753-K757 WeakPolarHBondContact O-CB 3.35Å; M753-K757 WeakPolarHBondContact O-CG 3.37Å; M753-K757 PolarHBondContact O-N 3.33Å; H754-K757 PolarHBondContact O-N 3.4Å; Q755-K757 VanDerWaalsContact C-N 3.33Å; Q755-K757 PolarHBondContact O-N 3.25Å; K757-E759 PolarHBondContact O-N 2.81Å; K757-D760 PolarHBondContact O-N 3.31Å; K757-E761 VanDerWaalsContact O-CB 3.31Å; K757-E761 WeakPolarHBondContact O-CB 3.33Å; K757-E761 VanDerWaalsContact O-CG 3.22Å; K757-E761 WeakPolarHBondContact O-CG 3.47Å; K757-E761 PolarHBondContact O-N 3.11Å |
| 758 | H | 74.7 | Confident | 74.7 | Confident | 95 Ų | 95 | 86.1 Ų | 86.1 | 44% | 0.44 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.5 | -39 | 178.2 | -176.7 | -91.6 | 0 | 0 | 0 | 112.2 | H754 Q755 E761 I762 | H754-H758 WeakPolarHBondContact O-CB 3.19Å; H754-H758 PolarHBondContact O-N 3.04Å; Q755-H758 PolarHBondContact O-N 3.05Å; H758-E761 PolarHBondContact O-N 3.07Å; H758-I762 WeakPolarHBondContact CE1-CD1 3.46Å; H758-I762 WeakPolarHBondContact ND1-CD1 3.4Å; H758-I762 WeakPolarHBondContact O-CB 3.35Å; H758-I762 VanDerWaalsContact O-CG1 3.26Å; H758-I762 WeakPolarHBondContact O-CG1 2.99Å; H758-I762 PolarHBondContact O-N 3.41Å |
| 759 | E | 68 | Low | 74.9 | Confident | 71 Ų | 71 | 89 Ų | 89 | 33% | 0.332 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.6 | -45.3 | 172.2 | -74.6 | -69.9 | 147.1 | 0 | 0 | 111.2 | Q755 Q756 K757 E761 I762 V763 | Q755-E759 WeakPolarHBondContact O-CB 3.44Å; Q755-E759 VanDerWaalsContact O-CG 3.32Å; Q755-E759 WeakPolarHBondContact O-CG 3.5Å; Q755-E759 PolarHBondContact O-N 3.25Å; Q756-E759 PolarHBondContact O-N 3.43Å; K757-E759 PolarHBondContact O-N 2.81Å; E759-E761 VanDerWaalsContact C-N 3.31Å; E759-E761 PolarHBondContact O-N 3.24Å; E759-I762 PolarHBondContact O-N 3.37Å; E759-V763 WeakPolarHBondContact O-CB 3.44Å; E759-V763 WeakPolarHBondContact O-CG2 3.42Å; E759-V763 PolarHBondContact O-N 3.18Å |
| 760 | D | 78.3 | Confident | 75.3 | Confident | 90 Ų | 90 | 85.8 Ų | 85.8 | 48% | 0.481 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 176.2 | -71.4 | -24 | 0 | 0 | 0 | 110.7 | Q756 K757 V763 E764 | Q756-D760 VanDerWaalsContact O-CB 3.32Å; Q756-D760 WeakPolarHBondContact O-CB 3.37Å; Q756-D760 PolarHBondContact O-N 2.88Å; K757-D760 PolarHBondContact O-N 3.31Å; D760-V763 PolarHBondContact O-N 3.12Å; D760-E764 VanDerWaalsContact O-CB 3.23Å; D760-E764 WeakPolarHBondContact O-CB 3.46Å; D760-E764 PolarHBondContact O-N 2.97Å |
| 761 | E | 80.5 | Confident | 75.9 | Confident | 98 Ų | 98 | 85.7 Ų | 85.7 | 46% | 0.458 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 172.9 | -77.7 | 169.4 | -160.1 | 0 | 0 | 111.7 | K757 H758 E759 E764 K765 | K757-E761 VanDerWaalsContact O-CB 3.31Å; K757-E761 WeakPolarHBondContact O-CB 3.33Å; K757-E761 VanDerWaalsContact O-CG 3.22Å; K757-E761 WeakPolarHBondContact O-CG 3.47Å; K757-E761 PolarHBondContact O-N 3.11Å; H758-E761 PolarHBondContact O-N 3.07Å; E759-E761 VanDerWaalsContact C-N 3.31Å; E759-E761 PolarHBondContact O-N 3.24Å; E761-E764 PolarHBondContact O-N 2.94Å; E761-K765 VanDerWaalsContact O-CB 3.23Å; E761-K765 WeakPolarHBondContact O-CB 3.2Å; E761-K765 WeakPolarHBondContact O-CG 3.35Å; E761-K765 PolarHBondContact O-N 3.5Å |
| 762 | I | 72.7 | Confident | 76.3 | Confident | 66 Ų | 66 | 87.7 Ų | 87.7 | 34% | 0.338 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.4 | -47.3 | 173.6 | -73.9 | 168.7 | 0 | 0 | 0 | 109.6 | H758 E759 E764 K765 V766 | H758-I762 WeakPolarHBondContact CE1-CD1 3.46Å; H758-I762 WeakPolarHBondContact ND1-CD1 3.4Å; H758-I762 WeakPolarHBondContact O-CB 3.35Å; H758-I762 VanDerWaalsContact O-CG1 3.26Å; H758-I762 WeakPolarHBondContact O-CG1 2.99Å; H758-I762 PolarHBondContact O-N 3.41Å; E759-I762 PolarHBondContact O-N 3.37Å; I762-E764 VanDerWaalsContact C-N 3.3Å; I762-E764 PolarHBondContact O-N 3.12Å; I762-K765 CarbonylContact O-C 3.5Å; I762-K765 PolarHBondContact O-N 3.04Å; I762-V766 HydrophobicContact CG2-CG2 4.08Å; I762-V766 VanDerWaalsContact O-CB 3.31Å; I762-V766 WeakPolarHBondContact O-CB 3.49Å; I762-V766 WeakPolarHBondContact O-CG2 3.35Å; I762-V766 PolarHBondContact O-N 2.96Å |
| 763 | V | 75.4 | Confident | 76.7 | Confident | 84 Ų | 84 | 86.8 Ų | 86.8 | 51% | 0.509 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.6 | -40.1 | -180 | 169.5 | 0 | 0 | 0 | 0 | 110.4 | E759 D760 V766 K767 | E759-V763 WeakPolarHBondContact O-CB 3.44Å; E759-V763 WeakPolarHBondContact O-CG2 3.42Å; E759-V763 PolarHBondContact O-N 3.18Å; D760-V763 PolarHBondContact O-N 3.12Å; V763-V766 PolarHBondContact O-N 2.9Å; V763-K767 WeakPolarHBondContact O-CB 3.33Å; V763-K767 PolarHBondContact O-N 3.1Å |
| 764 | E | 82.5 | Confident | 77.1 | Confident | 120 Ų | 120 | 89.2 Ų | 89.2 | 56% | 0.561 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -66.7 | -48.2 | 174.4 | -172.6 | 168.7 | -153.3 | 0 | 0 | 111 | D760 E761 I762 V766 K767 D768 | D760-E764 VanDerWaalsContact O-CB 3.23Å; D760-E764 WeakPolarHBondContact O-CB 3.46Å; D760-E764 PolarHBondContact O-N 2.97Å; E761-E764 PolarHBondContact O-N 2.94Å; I762-E764 VanDerWaalsContact C-N 3.3Å; I762-E764 PolarHBondContact O-N 3.12Å; E764-V766 VanDerWaalsContact C-N 3.3Å; E764-V766 PolarHBondContact O-N 3.47Å; E764-K767 PolarHBondContact O-N 3.3Å; E764-D768 VanDerWaalsContact O-CB 3.32Å; E764-D768 WeakPolarHBondContact O-CB 3.27Å; E764-D768 PolarHBondContact O-N 2.78Å |
| 765 | K | 76.5 | Confident | 77.4 | Confident | 107 Ų | 107 | 88.2 Ų | 88.2 | 47% | 0.465 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -55.6 | -43.1 | 172.8 | -77.3 | 178.9 | -179.1 | -172.8 | 0 | 111.2 | E761 I762 K769 E821 | E761-K765 VanDerWaalsContact O-CB 3.23Å; E761-K765 WeakPolarHBondContact O-CB 3.2Å; E761-K765 WeakPolarHBondContact O-CG 3.35Å; E761-K765 PolarHBondContact O-N 3.5Å; I762-K765 CarbonylContact O-C 3.5Å; I762-K765 PolarHBondContact O-N 3.04Å; K765-K769 VanDerWaalsContact O-CB 3.26Å; K765-K769 WeakPolarHBondContact O-CB 3.37Å; K765-K769 VanDerWaalsContact O-CG 3.24Å; K765-K769 WeakPolarHBondContact O-CG 3.49Å; K765-K769 PolarHBondContact O-N 3.39Å; K765-E821 IonicContact NZ-OE1 2.83Å; K765-E821 PolarHBondContact NZ-OE1 3.41Å; K765-E821 VanDerWaalsContact NZ-OE1 3.09Å |
| 766 | V | 72.2 | Confident | 77.7 | Confident | 48 Ų | 48 | 90.1 Ų | 90.1 | 29% | 0.291 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.4 | -45 | 178 | 164.5 | 0 | 0 | 0 | 0 | 110.8 | I762 V763 E764 D768 K769 T770 L1765 | I762-V766 HydrophobicContact CG2-CG2 4.08Å; I762-V766 VanDerWaalsContact O-CB 3.31Å; I762-V766 WeakPolarHBondContact O-CB 3.49Å; I762-V766 WeakPolarHBondContact O-CG2 3.35Å; I762-V766 PolarHBondContact O-N 2.96Å; V763-V766 PolarHBondContact O-N 2.9Å; E764-V766 VanDerWaalsContact C-N 3.3Å; E764-V766 PolarHBondContact O-N 3.47Å; V766-D768 VanDerWaalsContact C-N 3.35Å; V766-K769 PolarHBondContact O-N 2.98Å; V766-T770 WeakPolarHBondContact O-CB 3.44Å; V766-T770 PolarHBondContact O-N 3.32Å; V766-T770 PolarHBondContact O-OG1 3.24Å; V766-L1765 HydrophobicContact CB-CD1 4.29Å; V766-L1765 HydrophobicContact CG1-CD1 3.68Å; V766-L1765 HydrophobicContact CG1-CG 4.36Å; V766-L1765 HydrophobicContact CG2-CD1 3.93Å |
| 767 | K | 80.9 | Confident | 77.6 | Confident | 128 Ų | 128 | 87.7 Ų | 87.7 | 56% | 0.557 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.5 | -43.2 | 177.7 | -175.8 | -179.9 | -177 | -179 | 0 | 110.8 | V763 E764 T770 K771 | V763-K767 WeakPolarHBondContact O-CB 3.33Å; V763-K767 PolarHBondContact O-N 3.1Å; E764-K767 PolarHBondContact O-N 3.3Å; K767-T770 PolarHBondContact O-N 3.41Å; K767-K771 WeakPolarHBondContact O-CB 3.37Å; K767-K771 VanDerWaalsContact O-CG 3.27Å; K767-K771 WeakPolarHBondContact O-CG 3.46Å; K767-K771 PolarHBondContact O-N 3.42Å |
| 768 | D | 81.8 | Confident | 77.6 | Confident | 51 Ų | 51 | 85.1 Ų | 85.1 | 27% | 0.273 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -71.4 | -39.1 | 178.3 | -74.6 | -8.9 | 0 | 0 | 0 | 111.7 | E764 V766 K771 R772 | E764-D768 VanDerWaalsContact O-CB 3.32Å; E764-D768 WeakPolarHBondContact O-CB 3.27Å; E764-D768 PolarHBondContact O-N 2.78Å; V766-D768 VanDerWaalsContact C-N 3.35Å; D768-K771 PolarHBondContact O-N 2.8Å; D768-K771 IonicContact OD1-NZ 2.86Å; D768-K771 PolarHBondContact OD1-NZ 3.29Å; D768-R772 WeakPolarHBondContact O-CB 3.31Å; D768-R772 VanDerWaalsContact O-CG 3.25Å; D768-R772 WeakPolarHBondContact O-CG 3.43Å; D768-R772 PolarHBondContact O-N 3.29Å |
| 769 | K | 76 | Confident | 77.4 | Confident | 107 Ų | 107 | 87.3 Ų | 87.3 | 47% | 0.465 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.3 | -46.9 | 168.8 | -79.7 | 179.7 | 179.4 | -177.7 | 0 | 111.5 | K765 V766 K771 R772 I773 L1765 | K765-K769 VanDerWaalsContact O-CB 3.26Å; K765-K769 WeakPolarHBondContact O-CB 3.37Å; K765-K769 VanDerWaalsContact O-CG 3.24Å; K765-K769 WeakPolarHBondContact O-CG 3.49Å; K765-K769 PolarHBondContact O-N 3.39Å; V766-K769 PolarHBondContact O-N 2.98Å; K769-K771 VanDerWaalsContact C-N 3.35Å; K769-K771 PolarHBondContact O-N 3.09Å; K769-R772 PolarHBondContact O-N 3.2Å; K769-I773 WeakPolarHBondContact O-CB 3.48Å; K769-I773 WeakPolarHBondContact O-CD1 3.09Å; K769-I773 WeakPolarHBondContact O-CG1 3.23Å; K769-I773 PolarHBondContact O-N 3.33Å; K769-L1765 HydrophobicContact CB-CD2 3.9Å |
| 770 | T | 76.9 | Confident | 77.4 | Confident | 18 Ų | 18 | 86 Ų | 86 | 11% | 0.11 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 178.4 | -54 | 0 | 0 | 0 | 0 | 111.4 | V766 K767 R774 A1769 | V766-T770 WeakPolarHBondContact O-CB 3.44Å; V766-T770 PolarHBondContact O-N 3.32Å; V766-T770 PolarHBondContact O-OG1 3.24Å; K767-T770 PolarHBondContact O-N 3.41Å; T770-R774 VanDerWaalsContact O-CB 3.28Å; T770-R774 WeakPolarHBondContact O-CB 3.42Å; T770-R774 PolarHBondContact O-N 2.76Å; T770-A1769 HydrophobicContact CG2-CB 4.11Å |
| 771 | K | 84.4 | Confident | 76.7 | Confident | 89 Ų | 89 | 84.4 Ų | 84.4 | 39% | 0.387 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 171.9 | -73.9 | 172.3 | -168.2 | 157.2 | 0 | 111.9 | K767 D768 K769 I773 R774 E775 | K767-K771 WeakPolarHBondContact O-CB 3.37Å; K767-K771 VanDerWaalsContact O-CG 3.27Å; K767-K771 WeakPolarHBondContact O-CG 3.46Å; K767-K771 PolarHBondContact O-N 3.42Å; D768-K771 PolarHBondContact O-N 2.8Å; D768-K771 IonicContact OD1-NZ 2.86Å; D768-K771 PolarHBondContact OD1-NZ 3.29Å; K769-K771 VanDerWaalsContact C-N 3.35Å; K769-K771 PolarHBondContact O-N 3.09Å; K771-I773 VanDerWaalsContact C-N 3.34Å; K771-I773 PolarHBondContact O-N 2.83Å; K771-R774 CarbonylContact O-C 3.52Å; K771-R774 WeakPolarHBondContact O-CB 3.45Å; K771-R774 PolarHBondContact O-N 3.39Å; K771-R774 VanDerWaalsContact O-N 3.17Å; K771-E775 WeakPolarHBondContact O-CB 3.45Å; K771-E775 VanDerWaalsContact O-CG 3.32Å; K771-E775 WeakPolarHBondContact O-CG 3.5Å; K771-E775 PolarHBondContact O-N 2.81Å |
| 772 | R | 81.4 | Confident | 75.9 | Confident | 130 Ų | 130 | 88.6 Ų | 88.6 | 49% | 0.491 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.7 | -44.1 | 177.7 | -74.6 | -179 | -158.1 | 177.2 | 4.2 | 111 | D768 K769 R774 E775 K776 D814 | D768-R772 WeakPolarHBondContact O-CB 3.31Å; D768-R772 VanDerWaalsContact O-CG 3.25Å; D768-R772 WeakPolarHBondContact O-CG 3.43Å; D768-R772 PolarHBondContact O-N 3.29Å; K769-R772 PolarHBondContact O-N 3.2Å; R772-R774 VanDerWaalsContact C-N 3.34Å; R772-E775 PolarHBondContact O-N 2.8Å; R772-K776 WeakPolarHBondContact O-CB 3.49Å; R772-K776 PolarHBondContact O-N 2.82Å; R772-D814 IonicContact NH1-OD1 2.66Å; R772-D814 PolarHBondContact NH1-OD1 2.85Å; R772-D814 IonicContact NH1-OD2 3.28Å; R772-D814 PolarHBondContact NH1-OD2 3.46Å |
| 773 | I | 76.1 | Confident | 75.3 | Confident | 25 Ų | 25 | 92.4 Ų | 92.4 | 13% | 0.128 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 175.5 | -65.4 | 162.7 | 0 | 0 | 0 | 109.6 | K769 K771 K776 Y777 D1762 L1765 L1774 L1778 | K769-I773 WeakPolarHBondContact O-CB 3.48Å; K769-I773 WeakPolarHBondContact O-CD1 3.09Å; K769-I773 WeakPolarHBondContact O-CG1 3.23Å; K769-I773 PolarHBondContact O-N 3.33Å; K771-I773 VanDerWaalsContact C-N 3.34Å; K771-I773 PolarHBondContact O-N 2.83Å; I773-K776 PolarHBondContact O-N 2.82Å; I773-Y777 VanDerWaalsContact O-CB 3.29Å; I773-Y777 WeakPolarHBondContact O-CB 3.46Å; I773-Y777 PolarHBondContact O-N 2.96Å; I773-D1762 HydrophobicContact CD1-CB 4.05Å; I773-L1765 HydrophobicContact CD1-CD2 4.11Å; I773-L1774 HydrophobicContact CG2-CD1 4.35Å; I773-L1774 HydrophobicContact CG2-CD2 3.89Å; I773-L1774 HydrophobicContact CG2-CG 4.42Å; I773-L1778 HydrophobicContact CG2-CD1 4.06Å; I773-L1778 HydrophobicContact CG2-CD2 4.48Å |
| 774 | R | 82.1 | Confident | 74.5 | Confident | 132 Ų | 132 | 91 Ų | 91 | 50% | 0.498 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 177.5 | -174.6 | 174.2 | -176.2 | 151.5 | -3.6 | 112.8 | T770 K771 R772 Y777 L778 D1771 L1774 | T770-R774 VanDerWaalsContact O-CB 3.28Å; T770-R774 WeakPolarHBondContact O-CB 3.42Å; T770-R774 PolarHBondContact O-N 2.76Å; K771-R774 CarbonylContact O-C 3.52Å; K771-R774 WeakPolarHBondContact O-CB 3.45Å; K771-R774 PolarHBondContact O-N 3.39Å; K771-R774 VanDerWaalsContact O-N 3.17Å; R772-R774 VanDerWaalsContact C-N 3.34Å; R774-Y777 PolarHBondContact O-N 2.9Å; R774-L778 HydrophobicContact CG-CD1 3.97Å; R774-L778 HydrophobicContact CG-CG 4.35Å; R774-L778 VanDerWaalsContact O-CB 3.31Å; R774-L778 WeakPolarHBondContact O-CB 3.23Å; R774-L778 VanDerWaalsContact O-CG 3.22Å; R774-L778 WeakPolarHBondContact O-CG 3.36Å; R774-L778 PolarHBondContact O-N 2.82Å; R774-D1771 IonicContact CZ-OD2 3.88Å; R774-D1771 IonicContact NH1-OD2 3.06Å; R774-D1771 PolarHBondContact NH1-OD2 3.5Å; R774-L1774 HydrophobicContact CB-CD2 4.45Å |
| 775 | E | 82.8 | Confident | 73.3 | Confident | 107 Ų | 107 | 95.1 Ų | 95.1 | 50% | 0.5 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 176.2 | -77.9 | 175.7 | -167.6 | 0 | 0 | 111 | K771 R772 Y777 L778 K779 | K771-E775 WeakPolarHBondContact O-CB 3.45Å; K771-E775 VanDerWaalsContact O-CG 3.32Å; K771-E775 WeakPolarHBondContact O-CG 3.5Å; K771-E775 PolarHBondContact O-N 2.81Å; R772-E775 PolarHBondContact O-N 2.8Å; E775-Y777 VanDerWaalsContact C-N 3.33Å; E775-L778 PolarHBondContact O-N 2.83Å; E775-K779 WeakPolarHBondContact O-CB 3.42Å; E775-K779 VanDerWaalsContact O-CG 3.29Å; E775-K779 WeakPolarHBondContact O-CG 3.49Å; E775-K779 PolarHBondContact O-N 2.69Å |
| 776 | K | 75 | Confident | 72.6 | Confident | 98 Ų | 98 | 93 Ų | 93 | 43% | 0.426 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58.7 | -48.6 | 173.6 | -175.9 | 169 | -178.7 | 176.9 | 0 | 109.9 | R772 I773 K779 H780 D807 | R772-K776 WeakPolarHBondContact O-CB 3.49Å; R772-K776 PolarHBondContact O-N 2.82Å; I773-K776 PolarHBondContact O-N 2.82Å; K776-K779 PolarHBondContact O-N 2.84Å; K776-H780 VanDerWaalsContact CG-NE2 3.31Å; K776-H780 WeakPolarHBondContact CG-NE2 3.46Å; K776-H780 PolarHBondContact O-CD2 3.03Å; K776-H780 VanDerWaalsContact O-CG 3.26Å; K776-H780 PolarHBondContact O-N 2.74Å; K776-D807 WeakPolarHBondContact CE-OD1 3.3Å; K776-D807 IonicContact NZ-OD1 2.69Å; K776-D807 PolarHBondContact NZ-OD1 3.24Å |
| 777 | Y | 73.7 | Confident | 72.5 | Confident | 40 Ų | 40 | 97 Ų | 97 | 16% | 0.157 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -60.1 | -46.6 | 175.4 | -174.9 | -114.6 | 0 | 0 | 0 | 113.1 | I773 R774 E775 K779 H780 M781 Y786 L1774 D1777 | I773-Y777 VanDerWaalsContact O-CB 3.29Å; I773-Y777 WeakPolarHBondContact O-CB 3.46Å; I773-Y777 PolarHBondContact O-N 2.96Å; R774-Y777 PolarHBondContact O-N 2.9Å; E775-Y777 VanDerWaalsContact C-N 3.33Å; Y777-K779 PolarHBondContact O-N 2.77Å; Y777-H780 WeakPolarHBondContact O-CB 3.26Å; Y777-H780 PolarHBondContact O-N 2.92Å; Y777-M781 HydrophobicContact CD1-CE 4.47Å; Y777-M781 HydrophobicContact CE1-CE 3.49Å; Y777-M781 VanDerWaalsContact CE1-CE 3.49Å; Y777-M781 PolarHBondContact O-N 3.24Å; Y777-M781 VanDerWaalsContact O-N 3.07Å; Y777-M781 WeakPolarHBondContact OH-CE 3.45Å; Y777-Y786 PolarHBondContact OH-OH 2.7Å; Y777-L1774 HydrophobicContact CD1-CD1 3.76Å; Y777-L1774 HydrophobicContact CD2-CD1 4.37Å; Y777-L1774 HydrophobicContact CE1-CD1 4.38Å; Y777-L1774 HydrophobicContact CG-CD1 3.75Å; Y777-D1777 HydrophobicContact CE1-CB 4.42Å; Y777-D1777 WeakPolarHBondContact CE1-OD2 3.25Å; Y777-D1777 HydrophobicContact CE2-CB 3.88Å; Y777-D1777 WeakPolarHBondContact OH-CB 3.46Å; Y777-D1777 PolarHBondContact OH-OD2 2.85Å |
| 778 | L | 77.5 | Confident | 72 | Confident | 83 Ų | 83 | 97.6 Ų | 97.6 | 44% | 0.435 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.3 | -32 | 178.1 | -73.5 | 172.1 | 0 | 0 | 0 | 113.3 | R774 E775 M781 K782 | R774-L778 HydrophobicContact CG-CD1 3.97Å; R774-L778 HydrophobicContact CG-CG 4.35Å; R774-L778 VanDerWaalsContact O-CB 3.31Å; R774-L778 WeakPolarHBondContact O-CB 3.23Å; R774-L778 VanDerWaalsContact O-CG 3.22Å; R774-L778 WeakPolarHBondContact O-CG 3.36Å; R774-L778 PolarHBondContact O-N 2.82Å; E775-L778 PolarHBondContact O-N 2.83Å; L778-M781 PolarHBondContact O-N 2.86Å; L778-K782 PolarHBondContact O-N 2.96Å |
| 779 | K | 71.3 | Confident | 71.7 | Confident | 142 Ų | 142 | 96.4 Ų | 96.4 | 62% | 0.617 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.9 | -45.5 | 171 | -79.4 | 177.1 | -179.1 | 179 | 0 | 110 | E775 K776 Y777 M781 K782 | E775-K779 WeakPolarHBondContact O-CB 3.42Å; E775-K779 VanDerWaalsContact O-CG 3.29Å; E775-K779 WeakPolarHBondContact O-CG 3.49Å; E775-K779 PolarHBondContact O-N 2.69Å; K776-K779 PolarHBondContact O-N 2.84Å; Y777-K779 PolarHBondContact O-N 2.77Å; K779-M781 PolarHBondContact O-N 3.17Å; K779-K782 PolarHBondContact O-N 3.3Å; K779-K782 VanDerWaalsContact O-N 3.13Å |
| 780 | H | 66.7 | Low | 71.9 | Confident | 44 Ų | 44 | 98.9 Ų | 98.9 | 20% | 0.204 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -60.8 | -29.9 | 175.3 | -63.6 | -50.7 | 0 | 0 | 0 | 112.9 | K776 Y777 | K776-H780 VanDerWaalsContact CG-NE2 3.31Å; K776-H780 WeakPolarHBondContact CG-NE2 3.46Å; K776-H780 PolarHBondContact O-CD2 3.03Å; K776-H780 VanDerWaalsContact O-CG 3.26Å; K776-H780 PolarHBondContact O-N 2.74Å; Y777-H780 WeakPolarHBondContact O-CB 3.26Å; Y777-H780 PolarHBondContact O-N 2.92Å |
| 781 | M | 64.8 | Low | 72.2 | Confident | 55 Ų | 55 | 102.6 Ų | 102.6 | 27% | 0.271 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -71.2 | -26.8 | 175 | -78.7 | -157 | 172.8 | 0 | 0 | 114.8 | Y777 L778 K779 Y786 | Y777-M781 HydrophobicContact CD1-CE 4.47Å; Y777-M781 HydrophobicContact CE1-CE 3.49Å; Y777-M781 VanDerWaalsContact CE1-CE 3.49Å; Y777-M781 PolarHBondContact O-N 3.24Å; Y777-M781 VanDerWaalsContact O-N 3.07Å; Y777-M781 WeakPolarHBondContact OH-CE 3.45Å; L778-M781 PolarHBondContact O-N 2.86Å; K779-M781 PolarHBondContact O-N 3.17Å; M781-Y786 HydrophobicContact CE-CD1 4.09Å; M781-Y786 HydrophobicContact CE-CE1 3.49Å; M781-Y786 VanDerWaalsContact CE-CE1 3.49Å; M781-Y786 HydrophobicContact CE-CE2 4.27Å; M781-Y786 HydrophobicContact SD-CD1 4.4Å; M781-Y786 HydrophobicContact SD-CE1 4.35Å |
| 782 | K | 62.6 | Low | 72.3 | Confident | 187 Ų | 187 | 101.3 Ų | 101.3 | 81% | 0.813 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -81.6 | -13.5 | -172.6 | -77.6 | -175.8 | 179.4 | -179.8 | 0 | 114.6 | L778 K779 | L778-K782 PolarHBondContact O-N 2.96Å; K779-K782 PolarHBondContact O-N 3.3Å; K779-K782 VanDerWaalsContact O-N 3.13Å |
| 783 | E | 60.2 | Low | 72.5 | Confident | 146 Ų | 146 | 97.3 Ų | 97.3 | 68% | 0.682 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | 6.1 | -169.4 | -67.9 | -178.8 | 168.8 | 0 | 0 | 114.7 | ||
| 784 | G | 58.2 | Low | 72.9 | Confident | 53 Ų | 53 | 99.4 Ų | 99.4 | 55% | 0.546 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -156.5 | 160.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y786 | G784-Y786 VanDerWaalsContact C-N 3.28Å; G784-Y786 PolarHBondContact O-N 2.7Å |
| 785 | E | 58.9 | Low | 73.1 | Confident | 208 Ų | 208 | 93.5 Ų | 93.5 | 97% | 0.972 | 45% | 0.454 | S | S | * | . | trans | -63.2 | 84.9 | 172.9 | -73.3 | -177.9 | 163.1 | 0 | 0 | 110.1 | ||||
| 786 | Y | 62 | Low | 73.2 | Confident | 63 Ų | 63 | 90.9 Ų | 90.9 | 25% | 0.247 | 44% | 0.441 | C | S | . | . | trans | -75.9 | 129.3 | 178.9 | 178.9 | -105.2 | 0 | 0 | 0 | 111 | Y777 M781 G784 E788 P789 | Y777-Y786 PolarHBondContact OH-OH 2.7Å; M781-Y786 HydrophobicContact CE-CD1 4.09Å; M781-Y786 HydrophobicContact CE-CE1 3.49Å; M781-Y786 VanDerWaalsContact CE-CE1 3.49Å; M781-Y786 HydrophobicContact CE-CE2 4.27Å; M781-Y786 HydrophobicContact SD-CD1 4.4Å; M781-Y786 HydrophobicContact SD-CE1 4.35Å; G784-Y786 VanDerWaalsContact C-N 3.28Å; G784-Y786 PolarHBondContact O-N 2.7Å; Y786-E788 HydrophobicContact CD1-CB 4.27Å; Y786-E788 HydrophobicContact CE1-CB 4.01Å; Y786-E788 HydrophobicContact CE1-CG 4.3Å; Y786-P789 WeakPolarHBondContact OH-CD 3.23Å | ||
| 787 | F | 69.8 | Low | 73.7 | Confident | 131 Ų | 131 | 94.5 Ų | 94.5 | 58% | 0.575 | 45% | 0.452 | S | S | * | . | trans | -83.4 | 110.4 | 167.7 | 178 | -96.9 | 0 | 0 | 0 | 108.9 | P789 | F787-P789 HydrophobicContact CE1-CB 4.46Å; F787-P789 VanDerWaalsContact O-CD 3.22Å; F787-P789 WeakPolarHBondContact O-CD 3.27Å | ||
| 788 | E | 69.4 | Low | 74.2 | Confident | 141 Ų | 141 | 94 Ų | 94 | 66% | 0.659 | 46% | 0.456 | S | S | * | . | trans | -78.1 | 109.9 | 175.7 | -167.1 | 172.8 | -164.6 | 0 | 0 | 109.9 | Y786 | Y786-E788 HydrophobicContact CD1-CB 4.27Å; Y786-E788 HydrophobicContact CE1-CB 4.01Å; Y786-E788 HydrophobicContact CE1-CG 4.3Å | ||
| 789 | P | 76.4 | Confident | 74.3 | Confident | 25 Ų | 25 | 90.5 Ų | 90.5 | 16% | 0.162 | 44% | 0.44 | C | S | . | . | trans | -70.5 | 134.2 | -177.1 | 29.7 | -35 | 0 | 0 | 0 | 110.9 | Y786 F787 E794 A795 | Y786-P789 WeakPolarHBondContact OH-CD 3.23Å; F787-P789 HydrophobicContact CE1-CB 4.46Å; F787-P789 VanDerWaalsContact O-CD 3.22Å; F787-P789 WeakPolarHBondContact O-CD 3.27Å; P789-E794 HydrophobicContact CB-CB 3.67Å; P789-A795 VanDerWaalsContact CB-CA 3.47Å; P789-A795 HydrophobicContact CB-CB 3.73Å; P789-A795 VanDerWaalsContact CB-N 3.28Å; P789-A795 HydrophobicContact CG-CB 3.47Å; P789-A795 VanDerWaalsContact CG-CB 3.47Å | ||
| 790 | H | 79.2 | Confident | 74.8 | Confident | 160 Ų | 160 | 87.2 Ų | 87.2 | 74% | 0.741 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -84.6 | -26 | 177 | -65.9 | -51.6 | 0 | 0 | 0 | 112.4 | E794 | H790-E794 PolarHBondContact N-OE2 3.21Š|
| 791 | N | 84.3 | Confident | 75.5 | Confident | 96 Ų | 96 | 90.8 Ų | 90.8 | 51% | 0.513 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -123 | 149.5 | -172.8 | -62.7 | -45.9 | 0 | 0 | 0 | 111.6 | A793 E794 A795 | N791-A793 PolarHBondContact O-N 3.24Å; N791-A793 VanDerWaalsContact O-N 3.11Å; N791-E794 HydrophobicContact CB-CG 4.37Å; N791-E794 PolarHBondContact ND2-OE1 2.98Å; N791-E794 WeakPolarHBondContact O-CA 3.27Å; N791-E794 WeakPolarHBondContact O-CB 3.49Å; N791-E794 PolarHBondContact O-N 2.91Å; N791-A795 PolarHBondContact O-N 2.87Å |
| 792 | Y | 86.1 | Confident | 76.1 | Confident | 62 Ų | 62 | 92.5 Ų | 92.5 | 24% | 0.243 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -50.2 | -40.6 | 174.4 | 177.3 | -89.9 | 0 | 0 | 0 | 112.6 | E794 A795 K796 P1379 D1382 I1776 | Y792-E794 VanDerWaalsContact C-N 3.33Å; Y792-E794 PolarHBondContact O-N 2.83Å; Y792-A795 PolarHBondContact O-N 3.42Å; Y792-K796 HydrophobicContact CE1-CB 4.39Å; Y792-K796 HydrophobicContact CE1-CD 4.1Å; Y792-K796 VanDerWaalsContact O-CB 3.31Å; Y792-K796 WeakPolarHBondContact O-CB 3.38Å; Y792-K796 PolarHBondContact O-N 3.45Å; Y792-P1379 VanDerWaalsContact CE1-CD 3.47Å; Y792-P1379 HydrophobicContact CE1-CG 3.74Å; Y792-P1379 VanDerWaalsContact OH-CD 3.23Å; Y792-P1379 WeakPolarHBondContact OH-CD 3.46Å; Y792-D1382 PolarHBondContact OH-OD2 3.15Å; Y792-I1776 HydrophobicContact CD2-CD1 3.82Å; Y792-I1776 HydrophobicContact CD2-CG1 3.99Å; Y792-I1776 HydrophobicContact CD2-CG2 4.23Å; Y792-I1776 HydrophobicContact CE2-CD1 4.24Å; Y792-I1776 HydrophobicContact CE2-CG1 3.88Å; Y792-I1776 HydrophobicContact CE2-CG2 4.19Å |
| 793 | A | 84.7 | Confident | 76.7 | Confident | 46 Ų | 46 | 84.6 Ų | 84.6 | 38% | 0.38 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66 | -32.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | N791 R797 | N791-A793 PolarHBondContact O-N 3.24Å; N791-A793 VanDerWaalsContact O-N 3.11Å; A793-R797 WeakPolarHBondContact O-CG 3.49Å; A793-R797 PolarHBondContact O-NH1 2.68Å |
| 794 | E | 86.1 | Confident | 77.5 | Confident | 68 Ų | 68 | 78.5 Ų | 78.5 | 32% | 0.318 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -75.4 | -46.1 | 173.4 | -72.2 | 160 | -151.2 | 0 | 0 | 109.6 | P789 H790 N791 Y792 K796 R797 A798 | P789-E794 HydrophobicContact CB-CB 3.67Å; H790-E794 PolarHBondContact N-OE2 3.21Å; N791-E794 HydrophobicContact CB-CG 4.37Å; N791-E794 PolarHBondContact ND2-OE1 2.98Å; N791-E794 WeakPolarHBondContact O-CA 3.27Å; N791-E794 WeakPolarHBondContact O-CB 3.49Å; N791-E794 PolarHBondContact O-N 2.91Å; Y792-E794 VanDerWaalsContact C-N 3.33Å; Y792-E794 PolarHBondContact O-N 2.83Å; E794-K796 PolarHBondContact O-N 2.82Å; E794-R797 CarbonylContact O-C 3.46Å; E794-R797 WeakPolarHBondContact O-CA 3.46Å; E794-R797 PolarHBondContact O-N 3.27Å; E794-A798 PolarHBondContact O-N 3.31Å |
| 795 | A | 84.5 | Confident | 78 | Confident | 8 Ų | 8 | 79 Ų | 79 | 7% | 0.066 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.6 | -48 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | P789 N791 Y792 R797 A798 I1776 A1780 | P789-A795 VanDerWaalsContact CB-CA 3.47Å; P789-A795 HydrophobicContact CB-CB 3.73Å; P789-A795 VanDerWaalsContact CB-N 3.28Å; P789-A795 HydrophobicContact CG-CB 3.47Å; P789-A795 VanDerWaalsContact CG-CB 3.47Å; N791-A795 PolarHBondContact O-N 2.87Å; Y792-A795 PolarHBondContact O-N 3.42Å; A795-R797 PolarHBondContact O-N 2.8Å; A795-A798 WeakPolarHBondContact O-CB 3.39Å; A795-A798 PolarHBondContact O-N 2.89Å; A795-A798 VanDerWaalsContact O-N 3.07Å; A795-I1776 HydrophobicContact CB-CG2 3.51Å; A795-A1780 VanDerWaalsContact O-CB 3.3Å; A795-A1780 WeakPolarHBondContact O-CB 3.36Å |
| 796 | K | 85.4 | Confident | 78 | Confident | 53 Ų | 53 | 75.2 Ų | 75.2 | 23% | 0.23 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -29 | 174 | 177.5 | -178.5 | 174.9 | -180 | 0 | 113.5 | Y792 E794 D1382 Y1779 | Y792-K796 HydrophobicContact CE1-CB 4.39Å; Y792-K796 HydrophobicContact CE1-CD 4.1Å; Y792-K796 VanDerWaalsContact O-CB 3.31Å; Y792-K796 WeakPolarHBondContact O-CB 3.38Å; Y792-K796 PolarHBondContact O-N 3.45Å; E794-K796 PolarHBondContact O-N 2.82Å; K796-D1382 WeakPolarHBondContact CE-OD1 3.38Å; K796-D1382 WeakPolarHBondContact CE-OD2 3.36Å; K796-D1382 IonicContact NZ-OD1 3.43Å; K796-D1382 PolarHBondContact NZ-OD1 3.3Å; K796-D1382 IonicContact NZ-OD2 3.05Å; K796-D1382 PolarHBondContact NZ-OD2 2.98Å; K796-Y1779 HydrophobicContact CD-CE1 4.27Å; K796-Y1779 HydrophobicContact CG-CE1 4.27Å |
| 797 | R | 85.9 | Confident | 78 | Confident | 173 Ų | 173 | 73.6 Ų | 73.6 | 65% | 0.653 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -4.2 | -177.3 | -66.8 | -174.7 | -175.1 | 93 | -6.5 | 113.6 | A793 E794 A795 G799 | A793-R797 WeakPolarHBondContact O-CG 3.49Å; A793-R797 PolarHBondContact O-NH1 2.68Å; E794-R797 CarbonylContact O-C 3.46Å; E794-R797 WeakPolarHBondContact O-CA 3.46Å; E794-R797 PolarHBondContact O-N 3.27Å; A795-R797 PolarHBondContact O-N 2.8Å; R797-G799 PolarHBondContact O-N 3.42Å |
| 798 | A | 83.6 | Confident | 77.3 | Confident | 29 Ų | 29 | 71.3 Ų | 71.3 | 24% | 0.24 | 35% | 0.347 | C | S | . | . | trans | -76.9 | -3.6 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | E794 A795 | E794-A798 PolarHBondContact O-N 3.31Å; A795-A798 WeakPolarHBondContact O-CB 3.39Å; A795-A798 PolarHBondContact O-N 2.89Å; A795-A798 VanDerWaalsContact O-N 3.07Å | ||
| 799 | G | 79.9 | Confident | 76.4 | Confident | 11 Ų | 11 | 72.1 Ų | 72.1 | 11% | 0.113 | 35% | 0.351 | C | S | . | . | trans | -63.5 | 136.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R797 F1784 | R797-G799 PolarHBondContact O-N 3.42Å; G799-F1784 VanDerWaalsContact C-CD2 3.44Å; G799-F1784 WeakPolarHBondContact O-CD2 3.4Å; G799-F1784 WeakPolarHBondContact O-CE2 3.31Å | ||
| 800 | D | 82.4 | Confident | 75.1 | Confident | 73 Ų | 73 | 76.5 Ų | 76.5 | 39% | 0.39 | 38% | 0.38 | S | S | . | . | trans | -148.1 | 172.7 | -178 | -163.4 | 5.6 | 0 | 0 | 0 | 111.2 | Y802 M803 | D800-Y802 VanDerWaalsContact C-N 3.31Å; D800-Y802 HydrophobicContact CB-CD1 3.63Å; D800-Y802 HydrophobicContact CB-CE1 3.48Å; D800-Y802 VanDerWaalsContact CB-CE1 3.48Å; D800-Y802 PolarHBondContact O-N 2.8Å; D800-M803 WeakPolarHBondContact O-CB 3.26Å; D800-M803 PolarHBondContact O-N 2.92Å | ||
| 801 | Y | 81.7 | Confident | 73.6 | Confident | 119 Ų | 119 | 72.3 Ų | 72.3 | 47% | 0.467 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -35.2 | -173.5 | -67.3 | -81.9 | 0 | 0 | 0 | 113.9 | M803 F804 F1784 T1791 | Y801-M803 PolarHBondContact O-N 3.16Å; Y801-F804 PolarHBondContact O-N 2.96Å; Y801-F1784 HydrophobicContact CD1-CE1 4.1Å; Y801-F1784 HydrophobicContact CD1-CZ 4.01Å; Y801-F1784 AromaticContact CD2-CZ 3.83Å; Y801-F1784 HydrophobicContact CD2-CZ 3.83Å; Y801-F1784 HydrophobicContact CE1-CE1 4.35Å; Y801-F1784 HydrophobicContact CE1-CZ 4.09Å; Y801-F1784 AromaticContact CE2-CZ 3.91Å; Y801-F1784 HydrophobicContact CE2-CZ 3.91Å; Y801-F1784 HydrophobicContact CG-CE1 4.24Å; Y801-F1784 AromaticContact CG-CZ 3.88Å; Y801-F1784 HydrophobicContact CG-CZ 3.88Å; Y801-T1791 WeakPolarHBondContact CE1-OG1 3.36Å |
| 802 | Y | 76.4 | Confident | 71.9 | Confident | 90 Ų | 90 | 69.7 Ų | 69.7 | 35% | 0.353 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.2 | -23 | -178.1 | 69.4 | -100.2 | 0 | 0 | 0 | 113.2 | D800 F804 Y806 | D800-Y802 VanDerWaalsContact C-N 3.31Å; D800-Y802 HydrophobicContact CB-CD1 3.63Å; D800-Y802 HydrophobicContact CB-CE1 3.48Å; D800-Y802 VanDerWaalsContact CB-CE1 3.48Å; D800-Y802 PolarHBondContact O-N 2.8Å; Y802-F804 PolarHBondContact O-N 3.19Å; Y802-Y806 WeakPolarHBondContact O-CD2 3.22Å |
| 803 | M | 75.7 | Confident | 69.8 | Low | 22 Ų | 22 | 74.2 Ų | 74.2 | 11% | 0.108 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -72.2 | -11.5 | -179.2 | -171.8 | 165.5 | 45 | 0 | 0 | 114.1 | D800 Y801 K1781 F1784 | D800-M803 WeakPolarHBondContact O-CB 3.26Å; D800-M803 PolarHBondContact O-N 2.92Å; Y801-M803 PolarHBondContact O-N 3.16Å; M803-K1781 HydrophobicContact CE-CB 3.62Å; M803-K1781 HydrophobicContact CE-CG 3.69Å; M803-K1781 HydrophobicContact CG-CB 4.29Å; M803-K1781 HydrophobicContact CG-CD 3.52Å; M803-K1781 HydrophobicContact CG-CG 3.73Å; M803-K1781 WeakPolarHBondContact O-CE 3.3Å; M803-K1781 PolarHBondContact O-NZ 2.97Å; M803-K1781 HydrophobicContact SD-CB 3.36Å; M803-K1781 WeakPolarHBondContact SD-CB 3.49Å; M803-K1781 HydrophobicContact SD-CD 3.74Å; M803-K1781 HydrophobicContact SD-CG 3.48Å; M803-K1781 WeakPolarHBondContact SD-CG 3.47Å; M803-F1784 HydrophobicContact CE-CB 4.46Å |
| 804 | F | 77.9 | Confident | 67.9 | Low | 18 Ų | 18 | 75.8 Ų | 75.8 | 8% | 0.079 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -116.8 | -18.9 | -179.1 | -53.9 | -87.5 | 0 | 0 | 0 | 113.8 | Y801 Y802 Y806 D807 K1781 F1784 L1785 T1791 F1795 | Y801-F804 PolarHBondContact O-N 2.96Å; Y802-F804 PolarHBondContact O-N 3.19Å; F804-Y806 PolarHBondContact O-N 2.77Å; F804-D807 PolarHBondContact O-N 3.2Å; F804-K1781 HydrophobicContact CE1-CD 4.4Å; F804-K1781 HydrophobicContact CE1-CG 3.77Å; F804-K1781 HydrophobicContact CZ-CG 3.68Å; F804-K1781 WeakPolarHBondContact CZ-O 3.45Å; F804-F1784 HydrophobicContact CD2-CD1 4.19Å; F804-F1784 HydrophobicContact CD2-CE1 4.24Å; F804-F1784 AromaticContact CE2-CD1 3.3Å; F804-F1784 HydrophobicContact CE2-CD1 3.3Å; F804-F1784 AromaticContact CE2-CE1 3.77Å; F804-F1784 HydrophobicContact CE2-CE1 3.77Å; F804-F1784 HydrophobicContact CE2-CG 4.32Å; F804-F1784 AromaticContact CZ-CD1 3.93Å; F804-F1784 HydrophobicContact CZ-CD1 3.93Å; F804-L1785 HydrophobicContact CD1-CD1 4.1Å; F804-L1785 HydrophobicContact CE1-CB 3.86Å; F804-L1785 HydrophobicContact CE1-CD1 3.7Å; F804-L1785 HydrophobicContact CE1-CD2 4.44Å; F804-L1785 HydrophobicContact CE1-CG 4.2Å; F804-L1785 HydrophobicContact CZ-CB 3.86Å; F804-L1785 HydrophobicContact CZ-CD1 4.28Å; F804-T1791 HydrophobicContact CB-CG2 4.06Å; F804-T1791 HydrophobicContact CD1-CG2 4.06Å; F804-T1791 HydrophobicContact CD2-CG2 3.64Å; F804-T1791 HydrophobicContact CE1-CG2 4.47Å; F804-T1791 HydrophobicContact CE2-CG2 4.12Å; F804-T1791 HydrophobicContact CG-CG2 3.62Å; F804-T1791 HydrophobicContact CZ-CG2 4.48Å; F804-F1795 HydrophobicContact CD1-CD2 4.06Å; F804-F1795 HydrophobicContact CD1-CE2 4.24Å |
| 805 | D | 68.9 | Low | 66.1 | Low | 63 Ų | 63 | 73.9 Ų | 73.9 | 34% | 0.337 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.1 | -23.9 | -173.6 | -74.1 | -41.8 | 0 | 0 | 0 | 113.1 | S808 R1794 | D805-S808 PolarHBondContact O-OG 3.07Å; D805-S808 VanDerWaalsContact O-OG 3.11Å; D805-R1794 IonicContact OD1-CZ 2.68Å; D805-R1794 IonicContact OD1-NH1 3.47Å; D805-R1794 PolarHBondContact OD1-NH1 3.45Å; D805-R1794 IonicContact OD1-NH2 2.7Å |
| 806 | Y | 57.9 | Low | 64 | Low | 129 Ų | 129 | 79.1 Ų | 79.1 | 51% | 0.506 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -1.7 | -177.9 | -55.8 | -77.7 | 0 | 0 | 0 | 114.7 | Y802 F804 S808 | Y802-Y806 WeakPolarHBondContact O-CD2 3.22Å; F804-Y806 PolarHBondContact O-N 2.77Å; Y806-S808 PolarHBondContact O-N 3.48Å |
| 807 | D | 61.3 | Low | 62 | Low | 29 Ų | 29 | 80.8 Ų | 80.8 | 16% | 0.155 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 16.4 | 174.2 | -82.9 | -30 | 0 | 0 | 0 | 112.7 | K776 F804 K1781 F1795 | K776-D807 WeakPolarHBondContact CE-OD1 3.3Å; K776-D807 IonicContact NZ-OD1 2.69Å; K776-D807 PolarHBondContact NZ-OD1 3.24Å; F804-D807 PolarHBondContact O-N 3.2Å; D807-K1781 IonicContact OD2-NZ 3.91Å; D807-K1781 PolarHBondContact OD2-NZ 3.07Å; D807-F1795 HydrophobicContact CB-CE2 4.22Å |
| 808 | S | 54.7 | Low | 60 | Low | 82 Ų | 82 | 76.3 Ų | 76.3 | 57% | 0.573 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -11.4 | -177.2 | -53.1 | 0 | 0 | 0 | 0 | 114.5 | D805 Y806 | D805-S808 PolarHBondContact O-OG 3.07Å; D805-S808 VanDerWaalsContact O-OG 3.11Å; Y806-S808 PolarHBondContact O-N 3.48Å |
| 809 | E | 52 | Low | 58.1 | Low | 158 Ų | 158 | 80.5 Ų | 80.5 | 74% | 0.738 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -61.3 | 141.2 | -176.3 | -69.1 | -170.8 | 162.7 | 0 | 0 | 112.3 | E811 K1799 | E809-E811 PolarHBondContact O-N 3.45Å; E809-K1799 PolarHBondContact O-NZ 2.82Å; E809-K1799 VanDerWaalsContact O-NZ 3.14Å |
| 810 | P | 49.2 | Very low | 56.1 | Low | 118 Ų | 118 | 84.5 Ų | 84.5 | 77% | 0.766 | 43% | 0.427 | S | S | * | . | trans | -65.3 | 130.1 | 179 | 25.3 | -30.8 | 0 | 0 | 0 | 110.6 | G812 | P810-G812 PolarHBondContact O-N 2.97Š| ||
| 811 | E | 47.8 | Very low | 54.2 | Low | 71 Ų | 71 | 85.1 Ų | 85.1 | 33% | 0.332 | 43% | 0.427 | S | S | . | . | trans | -82.4 | 46.5 | -168.7 | -64.1 | 167 | -145.6 | 0 | 0 | 111.2 | E809 E813 R1755 K1799 | E809-E811 PolarHBondContact O-N 3.45Å; E811-E813 PolarHBondContact O-N 2.96Å; E811-R1755 IonicContact OE1-CZ 2.66Å; E811-R1755 IonicContact OE1-NE 3.62Å; E811-R1755 PolarHBondContact OE1-NE 3.09Å; E811-R1755 VanDerWaalsContact OE1-NE 3.1Å; E811-R1755 IonicContact OE1-NH2 3.64Å; E811-R1755 PolarHBondContact OE1-NH2 2.95Å; E811-K1799 IonicContact OE1-NZ 3.54Å; E811-K1799 PolarHBondContact OE1-NZ 3.13Å | ||
| 812 | G | 48.4 | Very low | 52.4 | Low | 41 Ų | 41 | 84.3 Ų | 84.3 | 42% | 0.423 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -7.7 | -156.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | P810 K816 | P810-G812 PolarHBondContact O-N 2.97Å; G812-K816 WeakPolarHBondContact O-CD 3.4Å |
| 813 | E | 41.6 | Very low | 50.6 | Low | 158 Ų | 158 | 85.1 Ų | 85.1 | 74% | 0.738 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.9 | -42.8 | -179.7 | -75.4 | -178 | 163.7 | 0 | 0 | 113 | E811 L817 | E811-E813 PolarHBondContact O-N 2.96Å; E813-L817 WeakPolarHBondContact O-CB 3.46Å; E813-L817 WeakPolarHBondContact O-CG 3.26Å; E813-L817 PolarHBondContact O-N 3.03Å |
| 814 | D | 45.2 | Very low | 48.7 | Very low | 79 Ų | 79 | 91 Ų | 91 | 42% | 0.422 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -77.6 | -26.9 | -178 | -71.1 | -25.4 | 0 | 0 | 0 | 113.5 | R772 L818 | R772-D814 IonicContact NH1-OD1 2.66Å; R772-D814 PolarHBondContact NH1-OD1 2.85Å; R772-D814 IonicContact NH1-OD2 3.28Å; R772-D814 PolarHBondContact NH1-OD2 3.46Å; D814-L818 PolarHBondContact O-N 3.39Å |
| 815 | S | 47.1 | Very low | 46.7 | Very low | 28 Ų | 28 | 95.8 Ų | 95.8 | 20% | 0.196 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -80.5 | -34.6 | 172.7 | -65.3 | 0 | 0 | 0 | 0 | 111.5 | L818 E819 | S815-L818 PolarHBondContact O-N 2.8Å; S815-E819 WeakPolarHBondContact O-CB 3.33Å; S815-E819 WeakPolarHBondContact O-CG 3.43Å; S815-E819 PolarHBondContact O-N 3.22Å |
| 816 | K | 42.1 | Very low | 45.3 | Very low | 118 Ų | 118 | 99.8 Ų | 99.8 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.8 | -37.8 | 172.3 | -73.4 | -169.3 | -176.8 | 178.6 | 0 | 112.4 | G812 L818 E819 E820 | G812-K816 WeakPolarHBondContact O-CD 3.4Å; K816-L818 VanDerWaalsContact C-N 3.35Å; K816-L818 PolarHBondContact O-N 2.68Å; K816-E819 CarbonylContact O-C 3.43Å; K816-E819 PolarHBondContact O-N 3.11Å; K816-E820 WeakPolarHBondContact O-CA 3.49Å; K816-E820 WeakPolarHBondContact O-CB 3.48Å; K816-E820 WeakPolarHBondContact O-CG 3.38Å; K816-E820 PolarHBondContact O-N 2.8Å |
| 817 | L | 41.8 | Very low | 44.2 | Very low | 88 Ų | 88 | 100.9 Ų | 100.9 | 46% | 0.461 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.3 | -33.2 | 175.2 | -82.1 | 164.7 | 0 | 0 | 0 | 112.9 | E813 E821 | E813-L817 WeakPolarHBondContact O-CB 3.46Å; E813-L817 WeakPolarHBondContact O-CG 3.26Å; E813-L817 PolarHBondContact O-N 3.03Å; L817-E821 WeakPolarHBondContact O-CB 3.25Å; L817-E821 WeakPolarHBondContact O-CG 3.33Å; L817-E821 PolarHBondContact O-N 2.91Å |
| 818 | L | 44.7 | Very low | 43.1 | Very low | 79 Ų | 79 | 107.6 Ų | 107.6 | 41% | 0.414 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -75.6 | -36.8 | 172.9 | -74.8 | 168.3 | 0 | 0 | 0 | 111.6 | D814 S815 K816 E822 | D814-L818 PolarHBondContact O-N 3.39Å; S815-L818 PolarHBondContact O-N 2.8Å; K816-L818 VanDerWaalsContact C-N 3.35Å; K816-L818 PolarHBondContact O-N 2.68Å; L818-E822 WeakPolarHBondContact O-CB 3.19Å; L818-E822 WeakPolarHBondContact O-CG 3.37Å; L818-E822 PolarHBondContact O-N 3.49Å |
| 819 | E | 43.9 | Very low | 42.4 | Very low | 116 Ų | 116 | 108.7 Ų | 108.7 | 54% | 0.542 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.7 | -34.1 | 173.6 | -75.2 | 174.4 | 175 | 0 | 0 | 111.9 | S815 K816 E822 E823 | S815-E819 WeakPolarHBondContact O-CB 3.33Å; S815-E819 WeakPolarHBondContact O-CG 3.43Å; S815-E819 PolarHBondContact O-N 3.22Å; K816-E819 CarbonylContact O-C 3.43Å; K816-E819 PolarHBondContact O-N 3.11Å; E819-E822 CarbonylContact O-C 3.55Å; E819-E822 PolarHBondContact O-N 3.25Å; E819-E823 WeakPolarHBondContact O-CA 3.28Å; E819-E823 WeakPolarHBondContact O-CB 3.49Å; E819-E823 VanDerWaalsContact O-CG 3.23Å; E819-E823 WeakPolarHBondContact O-CG 3.38Å; E819-E823 PolarHBondContact O-N 3.5Å |
| 820 | E | 38.5 | Very low | 42 | Very low | 96 Ų | 96 | 110.3 Ų | 110.3 | 45% | 0.449 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -75.9 | -42.1 | 174.9 | -74.3 | 170.2 | -177 | 0 | 0 | 111.1 | K816 E822 E823 E824 | K816-E820 WeakPolarHBondContact O-CA 3.49Å; K816-E820 WeakPolarHBondContact O-CB 3.48Å; K816-E820 WeakPolarHBondContact O-CG 3.38Å; K816-E820 PolarHBondContact O-N 2.8Å; E820-E822 PolarHBondContact O-N 3.33Å; E820-E823 PolarHBondContact O-N 2.89Å; E820-E824 WeakPolarHBondContact O-CB 3.36Å; E820-E824 PolarHBondContact O-N 3.44Å |
| 821 | E | 40.5 | Very low | 42 | Very low | 85 Ų | 85 | 111.1 Ų | 111.1 | 40% | 0.397 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.3 | -33.2 | 169.1 | -79.4 | -179.7 | 172.4 | 0 | 0 | 110.5 | K765 L817 Q825 | K765-E821 IonicContact NZ-OE1 2.83Å; K765-E821 PolarHBondContact NZ-OE1 3.41Å; K765-E821 VanDerWaalsContact NZ-OE1 3.09Å; L817-E821 WeakPolarHBondContact O-CB 3.25Å; L817-E821 WeakPolarHBondContact O-CG 3.33Å; L817-E821 PolarHBondContact O-N 2.91Å; E821-Q825 WeakPolarHBondContact O-CB 2.96Å; E821-Q825 VanDerWaalsContact O-CD 3.29Å; E821-Q825 WeakPolarHBondContact O-CG 3.3Å; E821-Q825 PolarHBondContact O-N 3.32Å |
| 822 | E | 44.3 | Very low | 42.2 | Very low | 103 Ų | 103 | 110.6 Ų | 110.6 | 48% | 0.481 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -83.6 | -19.3 | 173.9 | -73.6 | -177.9 | -175.8 | 0 | 0 | 114.1 | L818 E819 E820 R826 | L818-E822 WeakPolarHBondContact O-CB 3.19Å; L818-E822 WeakPolarHBondContact O-CG 3.37Å; L818-E822 PolarHBondContact O-N 3.49Å; E819-E822 CarbonylContact O-C 3.55Å; E819-E822 PolarHBondContact O-N 3.25Å; E820-E822 PolarHBondContact O-N 3.33Å; E822-R826 WeakPolarHBondContact O-CB 3.5Å; E822-R826 PolarHBondContact O-N 2.82Å; E822-R826 PolarHBondContact O-NE 3.16Å; E822-R826 PolarHBondContact O-NH2 3.08Å; E822-R826 IonicContact OE2-NH2 3.84Å |
| 823 | E | 38.6 | Very low | 42.3 | Very low | 107 Ų | 107 | 112.1 Ų | 112.1 | 50% | 0.5 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -91.6 | -37.5 | 177.8 | -87.6 | -171.7 | 175.7 | 0 | 0 | 112.3 | E819 E820 Q825 R826 K827 | E819-E823 WeakPolarHBondContact O-CA 3.28Å; E819-E823 WeakPolarHBondContact O-CB 3.49Å; E819-E823 VanDerWaalsContact O-CG 3.23Å; E819-E823 WeakPolarHBondContact O-CG 3.38Å; E819-E823 PolarHBondContact O-N 3.5Å; E820-E823 PolarHBondContact O-N 2.89Å; E823-Q825 VanDerWaalsContact C-N 3.34Å; E823-R826 PolarHBondContact O-N 3.33Å; E823-R826 VanDerWaalsContact O-N 3.16Å; E823-K827 PolarHBondContact O-N 3.49Å |
| 824 | E | 37.2 | Very low | 42.5 | Very low | 146 Ų | 146 | 106.9 Ų | 106.9 | 68% | 0.682 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.8 | -39.1 | 170.9 | -75.4 | -170.6 | 153.5 | 0 | 0 | 110.6 | E820 R826 K827 | E820-E824 WeakPolarHBondContact O-CB 3.36Å; E820-E824 PolarHBondContact O-N 3.44Å; E824-R826 PolarHBondContact O-N 3.42Å; E824-K827 PolarHBondContact O-N 2.82Å |
| 825 | Q | 35.3 | Very low | 42.7 | Very low | 118 Ų | 118 | 106.5 Ų | 106.5 | 55% | 0.551 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -21.9 | 171.4 | -74.1 | 176.6 | 7.5 | 0 | 0 | 113.3 | E821 E823 | E821-Q825 WeakPolarHBondContact O-CB 2.96Å; E821-Q825 VanDerWaalsContact O-CD 3.29Å; E821-Q825 WeakPolarHBondContact O-CG 3.3Å; E821-Q825 PolarHBondContact O-N 3.32Å; E823-Q825 VanDerWaalsContact C-N 3.34Å |
| 826 | R | 38.8 | Very low | 43.1 | Very low | 146 Ų | 146 | 109.7 Ų | 109.7 | 55% | 0.551 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -20.7 | 178.8 | -113.4 | -179.6 | -74.3 | -126.9 | 2.1 | 114.2 | E822 E823 E824 E828 | E822-R826 WeakPolarHBondContact O-CB 3.5Å; E822-R826 PolarHBondContact O-N 2.82Å; E822-R826 PolarHBondContact O-NE 3.16Å; E822-R826 PolarHBondContact O-NH2 3.08Å; E822-R826 IonicContact OE2-NH2 3.84Å; E823-R826 PolarHBondContact O-N 3.33Å; E823-R826 VanDerWaalsContact O-N 3.16Å; E824-R826 PolarHBondContact O-N 3.42Å; R826-E828 VanDerWaalsContact C-N 3.35Å |
| 827 | K | 35.1 | Very low | 43.8 | Very low | 152 Ų | 152 | 105.7 Ų | 105.7 | 66% | 0.661 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -78.7 | -15.4 | -175.9 | -80.6 | 174.1 | -177.8 | 164.9 | 0 | 113.8 | E823 E824 | E823-K827 PolarHBondContact O-N 3.49Å; E824-K827 PolarHBondContact O-N 2.82Å |
| 828 | E | 38.9 | Very low | 44.3 | Very low | 170 Ų | 170 | 104.6 Ų | 104.6 | 79% | 0.794 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -86.5 | -12.4 | -175.6 | -68.7 | -171.4 | 150.9 | 0 | 0 | 114.7 | R826 | R826-E828 VanDerWaalsContact C-N 3.35Š|
| 829 | D | 39.9 | Very low | 44.7 | Very low | 106 Ų | 106 | 104.8 Ų | 104.8 | 57% | 0.567 | 50% | 0.5 | S | S | * | . | trans | -116.5 | 49.1 | -170.4 | -73.7 | -25.7 | 0 | 0 | 0 | 115.2 | E831 | D829-E831 PolarHBondContact O-N 3.49Š| ||
| 830 | K | 42.6 | Very low | 45.1 | Very low | 192 Ų | 192 | 100.9 Ų | 100.9 | 84% | 0.835 | 48% | 0.481 | S | S | * | . | trans | -75.5 | 50.6 | 173.2 | -72.9 | -174.5 | -180 | 176.9 | 0 | 113.9 | ||||
| 831 | E | 48.8 | Very low | 45.9 | Very low | 134 Ų | 134 | 97.3 Ų | 97.3 | 63% | 0.626 | 47% | 0.468 | S | S | * | . | trans | -108.6 | 121.2 | 172.6 | -61.9 | -150.2 | 129.7 | 0 | 0 | 111.4 | D829 D833 K859 | D829-E831 PolarHBondContact O-N 3.49Å; E831-D833 PolarHBondContact O-N 3Å; E831-K859 IonicContact OE1-NZ 2.66Å; E831-K859 PolarHBondContact OE1-NZ 3.38Å; E831-K859 VanDerWaalsContact OE1-NZ 3.1Å | ||
| 832 | L | 51.8 | Low | 46.6 | Very low | 61 Ų | 61 | 100 Ų | 100 | 32% | 0.319 | 49% | 0.485 | S | S | . | . | trans | -61.9 | 119.7 | 174.2 | -119.5 | 85.4 | 0 | 0 | 0 | 109.7 | Q836 I837 M840 L866 | L832-Q836 HydrophobicContact CG-CB 4.4Å; L832-I837 HydrophobicContact CB-CD1 4.34Å; L832-I837 HydrophobicContact CB-CG1 3.97Å; L832-I837 HydrophobicContact CD2-CG1 4.01Å; L832-M840 HydrophobicContact CD2-CE 4.32Å; L832-M840 HydrophobicContact CD2-SD 3.39Å; L832-M840 WeakPolarHBondContact CD2-SD 3.17Å; L832-L866 HydrophobicContact CD1-CD2 4.31Å | ||
| 833 | D | 50.6 | Low | 47 | Very low | 72 Ų | 72 | 98 Ų | 98 | 39% | 0.385 | 48% | 0.48 | S | S | . | . | trans | -66.6 | 144.1 | -174.3 | -136.6 | 2.1 | 0 | 0 | 0 | 110.1 | E831 S835 Q836 I837 | E831-D833 PolarHBondContact O-N 3Å; D833-S835 PolarHBondContact O-N 2.86Å; D833-Q836 HydrophobicContact CB-CB 4.3Å; D833-Q836 HydrophobicContact CB-CG 3.86Å; D833-Q836 VanDerWaalsContact N-OE1 3.14Å; D833-Q836 CarbonylContact O-C 3.59Å; D833-Q836 WeakPolarHBondContact O-CA 3.46Å; D833-Q836 VanDerWaalsContact O-CB 3.29Å; D833-Q836 WeakPolarHBondContact O-CB 3.19Å; D833-Q836 PolarHBondContact O-N 3.13Å; D833-I837 PolarHBondContact O-N 2.85Å | ||
| 834 | P | 47.1 | Very low | 47.7 | Very low | 48 Ų | 48 | 95.2 Ų | 95.2 | 31% | 0.312 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -55.8 | -30.6 | -179.9 | -26.4 | 34.2 | 0 | 0 | 0 | 113 | I838 | P834-I838 VanDerWaalsContact O-CB 3.27Å; P834-I838 WeakPolarHBondContact O-CB 3.1Å; P834-I838 WeakPolarHBondContact O-CD1 3.42Å; P834-I838 WeakPolarHBondContact O-CG1 2.99Å; P834-I838 PolarHBondContact O-N 2.73Å |
| 835 | S | 49.9 | Very low | 48.5 | Very low | 71 Ų | 71 | 94.9 Ų | 94.9 | 50% | 0.497 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.9 | -38.3 | 172.2 | 58.9 | 0 | 0 | 0 | 0 | 112 | D833 H839 | D833-S835 PolarHBondContact O-N 2.86Å; S835-H839 WeakPolarHBondContact O-CA 3.2Å; S835-H839 WeakPolarHBondContact O-CB 3.16Å; S835-H839 PolarHBondContact O-N 3.34Å |
| 836 | Q | 54.4 | Low | 49.5 | Very low | 96 Ų | 96 | 89.9 Ų | 89.9 | 45% | 0.449 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -71.2 | -40.4 | 175.7 | -63.7 | 174 | -9.3 | 0 | 0 | 111.4 | L832 D833 H839 M840 | L832-Q836 HydrophobicContact CG-CB 4.4Å; D833-Q836 HydrophobicContact CB-CB 4.3Å; D833-Q836 HydrophobicContact CB-CG 3.86Å; D833-Q836 VanDerWaalsContact N-OE1 3.14Å; D833-Q836 CarbonylContact O-C 3.59Å; D833-Q836 WeakPolarHBondContact O-CA 3.46Å; D833-Q836 VanDerWaalsContact O-CB 3.29Å; D833-Q836 WeakPolarHBondContact O-CB 3.19Å; D833-Q836 PolarHBondContact O-N 3.13Å; Q836-H839 PolarHBondContact O-N 2.65Å; Q836-M840 VanDerWaalsContact O-CB 3.29Å; Q836-M840 WeakPolarHBondContact O-CB 3.4Å; Q836-M840 WeakPolarHBondContact O-CG 3.47Å; Q836-M840 PolarHBondContact O-N 2.64Å |
| 837 | I | 55.9 | Low | 50.5 | Low | 34 Ų | 34 | 86.6 Ų | 86.6 | 17% | 0.174 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -66.7 | -42 | 174.7 | -53.6 | 174.8 | 0 | 0 | 0 | 110.3 | L832 D833 M840 A841 L848 I851 | L832-I837 HydrophobicContact CB-CD1 4.34Å; L832-I837 HydrophobicContact CB-CG1 3.97Å; L832-I837 HydrophobicContact CD2-CG1 4.01Å; D833-I837 PolarHBondContact O-N 2.85Å; I837-M840 PolarHBondContact O-N 3.39Å; I837-A841 WeakPolarHBondContact O-CB 3.49Å; I837-A841 PolarHBondContact O-N 2.81Å; I837-L848 HydrophobicContact CG2-CD1 3.59Å; I837-L848 HydrophobicContact CG2-CG 4.22Å; I837-I851 HydrophobicContact CG2-CG2 3.86Å |
| 838 | I | 53.1 | Low | 51.6 | Low | 65 Ų | 65 | 81 Ų | 81 | 33% | 0.333 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 174.7 | -71.3 | 165.5 | 0 | 0 | 0 | 110.5 | P834 A841 L842 | P834-I838 VanDerWaalsContact O-CB 3.27Å; P834-I838 WeakPolarHBondContact O-CB 3.1Å; P834-I838 WeakPolarHBondContact O-CD1 3.42Å; P834-I838 WeakPolarHBondContact O-CG1 2.99Å; P834-I838 PolarHBondContact O-N 2.73Å; I838-A841 PolarHBondContact O-N 3.5Å; I838-L842 HydrophobicContact CG2-CD1 3.93Å; I838-L842 WeakPolarHBondContact O-CB 3.34Å; I838-L842 PolarHBondContact O-N 3.13Å |
| 839 | H | 53.6 | Low | 52.5 | Low | 83 Ų | 83 | 77.3 Ų | 77.3 | 38% | 0.384 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 175.7 | -178.6 | -99.5 | 0 | 0 | 0 | 110.2 | S835 Q836 A841 L842 T843 | S835-H839 WeakPolarHBondContact O-CA 3.2Å; S835-H839 WeakPolarHBondContact O-CB 3.16Å; S835-H839 PolarHBondContact O-N 3.34Å; Q836-H839 PolarHBondContact O-N 2.65Å; H839-A841 PolarHBondContact O-N 3.15Å; H839-L842 CarbonylContact O-C 3.5Å; H839-L842 PolarHBondContact O-N 2.94Å; H839-L842 VanDerWaalsContact O-N 3.16Å; H839-T843 WeakPolarHBondContact O-CB 3.49Å; H839-T843 WeakPolarHBondContact O-CG2 3.38Å; H839-T843 PolarHBondContact O-N 3.48Å; H839-T843 PolarHBondContact O-OG1 2.92Å |
| 840 | M | 52.2 | Low | 53.7 | Low | 33 Ų | 33 | 73.5 Ų | 73.5 | 16% | 0.163 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.6 | -41.6 | 173.6 | -83.2 | 168.6 | 86.5 | 0 | 0 | 112.1 | L832 Q836 I837 L842 T843 T844 I851 L866 M870 | L832-M840 HydrophobicContact CD2-CE 4.32Å; L832-M840 HydrophobicContact CD2-SD 3.39Å; L832-M840 WeakPolarHBondContact CD2-SD 3.17Å; Q836-M840 VanDerWaalsContact O-CB 3.29Å; Q836-M840 WeakPolarHBondContact O-CB 3.4Å; Q836-M840 WeakPolarHBondContact O-CG 3.47Å; Q836-M840 PolarHBondContact O-N 2.64Å; I837-M840 PolarHBondContact O-N 3.39Å; M840-L842 VanDerWaalsContact C-N 3.33Å; M840-L842 PolarHBondContact O-N 3.44Å; M840-T843 WeakPolarHBondContact CA-OG1 3.47Å; M840-T843 PolarHBondContact O-N 2.93Å; M840-T843 PolarHBondContact O-OG1 3.32Å; M840-T844 VanDerWaalsContact O-CB 3.29Å; M840-T844 WeakPolarHBondContact O-CB 3.43Å; M840-T844 WeakPolarHBondContact O-CG2 3.44Å; M840-T844 PolarHBondContact O-N 3.28Å; M840-T844 PolarHBondContact O-OG1 2.92Å; M840-I851 HydrophobicContact CB-CD1 4.41Å; M840-I851 HydrophobicContact CB-CG2 4.44Å; M840-L866 HydrophobicContact CE-CD2 4.45Å; M840-M870 HydrophobicContact CE-CE 3.17Å; M840-M870 HydrophobicContact CE-SD 3.17Å; M840-M870 WeakPolarHBondContact CE-SD 3.42Å |
| 841 | A | 55.3 | Low | 54.6 | Low | 21 Ų | 21 | 64.5 Ų | 64.5 | 17% | 0.174 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.7 | -35.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I837 I838 H839 T843 D845 L848 I851 | I837-A841 WeakPolarHBondContact O-CB 3.49Å; I837-A841 PolarHBondContact O-N 2.81Å; I838-A841 PolarHBondContact O-N 3.5Å; H839-A841 PolarHBondContact O-N 3.15Å; A841-T843 VanDerWaalsContact C-N 3.35Å; A841-D845 PolarHBondContact O-N 3.16Å; A841-L848 HydrophobicContact CB-CB 4.39Å; A841-L848 HydrophobicContact CB-CD1 3.4Å; A841-I851 VanDerWaalsContact CA-CD1 3.41Å; A841-I851 HydrophobicContact CB-CD1 3.69Å |
| 842 | L | 54.6 | Low | 55.2 | Low | 142 Ų | 142 | 60.2 Ų | 60.2 | 74% | 0.743 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -71.5 | -29.7 | 175.6 | -106.9 | 137.7 | 0 | 0 | 0 | 112.6 | I838 H839 M840 | I838-L842 HydrophobicContact CG2-CD1 3.93Å; I838-L842 WeakPolarHBondContact O-CB 3.34Å; I838-L842 PolarHBondContact O-N 3.13Å; H839-L842 CarbonylContact O-C 3.5Å; H839-L842 PolarHBondContact O-N 2.94Å; H839-L842 VanDerWaalsContact O-N 3.16Å; M840-L842 VanDerWaalsContact C-N 3.33Å; M840-L842 PolarHBondContact O-N 3.44Å |
| 843 | T | 53 | Low | 55.7 | Low | 62 Ų | 62 | 61.6 Ų | 61.6 | 38% | 0.38 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -91.7 | -34.7 | -177.6 | 58.6 | 0 | 0 | 0 | 0 | 113 | H839 M840 A841 | H839-T843 WeakPolarHBondContact O-CB 3.49Å; H839-T843 WeakPolarHBondContact O-CG2 3.38Å; H839-T843 PolarHBondContact O-N 3.48Å; H839-T843 PolarHBondContact O-OG1 2.92Å; M840-T843 WeakPolarHBondContact CA-OG1 3.47Å; M840-T843 PolarHBondContact O-N 2.93Å; M840-T843 PolarHBondContact O-OG1 3.32Å; A841-T843 VanDerWaalsContact C-N 3.35Å |
| 844 | T | 54.3 | Low | 56.2 | Low | 47 Ų | 47 | 58.2 Ų | 58.2 | 29% | 0.288 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -95 | -6.1 | -173.7 | 62.1 | 0 | 0 | 0 | 0 | 114.7 | M840 M846 M870 | M840-T844 VanDerWaalsContact O-CB 3.29Å; M840-T844 WeakPolarHBondContact O-CB 3.43Å; M840-T844 WeakPolarHBondContact O-CG2 3.44Å; M840-T844 PolarHBondContact O-N 3.28Å; M840-T844 PolarHBondContact O-OG1 2.92Å; T844-M846 HydrophobicContact CG2-CE 4.14Å; T844-M846 PolarHBondContact O-N 3Å; T844-M846 WeakPolarHBondContact OG1-CE 3.26Å; T844-M870 HydrophobicContact CG2-CE 3.89Å |
| 845 | D | 53.3 | Low | 56.9 | Low | 139 Ų | 139 | 57.1 Ų | 57.1 | 74% | 0.743 | 31% | 0.311 | S | S | * | . | trans | 55.8 | 15.6 | -178.7 | -127 | 15.5 | 0 | 0 | 0 | 113.6 | A841 K881 | A841-D845 PolarHBondContact O-N 3.16Å; D845-K881 PolarHBondContact O-NZ 3.34Å | ||
| 846 | M | 56.5 | Low | 57.3 | Low | 14 Ų | 14 | 60.2 Ų | 60.2 | 7% | 0.069 | 32% | 0.318 | C | S | . | . | trans | -86.5 | 150.1 | 176.4 | -66.1 | -164.6 | -68.7 | 0 | 0 | 110.9 | T844 L848 I851 M870 A874 | T844-M846 HydrophobicContact CG2-CE 4.14Å; T844-M846 PolarHBondContact O-N 3Å; T844-M846 WeakPolarHBondContact OG1-CE 3.26Å; M846-L848 PolarHBondContact O-N 3.38Å; M846-I851 HydrophobicContact CB-CD1 4.05Å; M846-I851 HydrophobicContact CB-CG1 4.05Å; M846-I851 HydrophobicContact CE-CD1 4.38Å; M846-I851 HydrophobicContact CE-CG1 3.85Å; M846-M870 HydrophobicContact CE-CB 4.24Å; M846-M870 HydrophobicContact CE-CE 3.44Å; M846-M870 VanDerWaalsContact CE-CE 3.44Å; M846-M870 HydrophobicContact CE-CG 4.24Å; M846-A874 HydrophobicContact CG-CB 4.42Å; M846-A874 HydrophobicContact SD-CB 3.9Å | ||
| 847 | E | 60.4 | Low | 57.6 | Low | 77 Ų | 77 | 60.4 Ų | 60.4 | 36% | 0.36 | 32% | 0.319 | S | S | . | . | trans | -63.7 | 133.3 | 172.9 | -62.9 | -164 | 162.2 | 0 | 0 | 109.7 | E849 T850 I851 | E847-E849 PolarHBondContact O-N 2.91Å; E847-E849 VanDerWaalsContact O-N 3.11Å; E847-T850 WeakPolarHBondContact CB-OG1 3.24Å; E847-T850 WeakPolarHBondContact O-CB 3.49Å; E847-T850 PolarHBondContact O-N 3.22Å; E847-T850 PolarHBondContact O-OG1 3.34Å; E847-I851 PolarHBondContact O-N 3.35Å | ||
| 848 | L | 56.8 | Low | 57.8 | Low | 35 Ų | 35 | 60 Ų | 60 | 18% | 0.183 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.3 | -29.4 | -179.3 | -166.5 | 84 | 0 | 0 | 0 | 112.1 | I837 A841 M846 I851 A852 F896 | I837-L848 HydrophobicContact CG2-CD1 3.59Å; I837-L848 HydrophobicContact CG2-CG 4.22Å; A841-L848 HydrophobicContact CB-CB 4.39Å; A841-L848 HydrophobicContact CB-CD1 3.4Å; M846-L848 PolarHBondContact O-N 3.38Å; L848-I851 PolarHBondContact O-N 2.92Å; L848-A852 WeakPolarHBondContact O-CB 3.4Å; L848-A852 PolarHBondContact O-N 3.24Å; L848-F896 HydrophobicContact CD2-CD2 3.67Å; L848-F896 HydrophobicContact CD2-CE2 3.7Å |
| 849 | E | 58.7 | Low | 57.8 | Low | 91 Ų | 91 | 63.1 Ų | 63.1 | 43% | 0.425 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 177.1 | -169.8 | 171.6 | -169.5 | 0 | 0 | 111.2 | E847 A852 Q853 K895 | E847-E849 PolarHBondContact O-N 2.91Å; E847-E849 VanDerWaalsContact O-N 3.11Å; E849-A852 PolarHBondContact O-N 3.01Å; E849-Q853 WeakPolarHBondContact O-CB 3.09Å; E849-Q853 VanDerWaalsContact O-CG 3.29Å; E849-Q853 WeakPolarHBondContact O-CG 3.42Å; E849-Q853 PolarHBondContact O-N 2.84Å; E849-K895 IonicContact OE2-NZ 3.56Å; E849-K895 PolarHBondContact OE2-NZ 3.12Å |
| 850 | T | 64.2 | Low | 58 | Low | 27 Ų | 27 | 65 Ų | 65 | 17% | 0.166 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 172.9 | 8.7 | 0 | 0 | 0 | 0 | 111.5 | E847 A852 Q853 T854 E877 | E847-T850 WeakPolarHBondContact CB-OG1 3.24Å; E847-T850 WeakPolarHBondContact O-CB 3.49Å; E847-T850 PolarHBondContact O-N 3.22Å; E847-T850 PolarHBondContact O-OG1 3.34Å; T850-A852 VanDerWaalsContact C-N 3.34Å; T850-A852 PolarHBondContact O-N 3.43Å; T850-Q853 PolarHBondContact O-N 3.18Å; T850-T854 WeakPolarHBondContact O-CG2 3.49Å; T850-T854 PolarHBondContact O-N 3.06Å; T850-T854 PolarHBondContact O-OG1 3.12Å; T850-E877 PolarHBondContact OG1-OE1 3.14Å |
| 851 | I | 61.2 | Low | 58.2 | Low | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62 | -42.8 | 177.9 | -63.9 | 166.5 | 0 | 0 | 0 | 111.4 | I837 M840 A841 M846 E847 L848 T854 A855 | I837-I851 HydrophobicContact CG2-CG2 3.86Å; M840-I851 HydrophobicContact CB-CD1 4.41Å; M840-I851 HydrophobicContact CB-CG2 4.44Å; A841-I851 VanDerWaalsContact CA-CD1 3.41Å; A841-I851 HydrophobicContact CB-CD1 3.69Å; M846-I851 HydrophobicContact CB-CD1 4.05Å; M846-I851 HydrophobicContact CB-CG1 4.05Å; M846-I851 HydrophobicContact CE-CD1 4.38Å; M846-I851 HydrophobicContact CE-CG1 3.85Å; E847-I851 PolarHBondContact O-N 3.35Å; L848-I851 PolarHBondContact O-N 2.92Å; I851-T854 VanDerWaalsContact C-OG1 3.29Å; I851-T854 VanDerWaalsContact CA-OG1 3.25Å; I851-T854 WeakPolarHBondContact CA-OG1 3.33Å; I851-T854 PolarHBondContact O-N 3.1Å; I851-T854 PolarHBondContact O-OG1 3.04Å; I851-A855 WeakPolarHBondContact O-CB 3.41Å; I851-A855 PolarHBondContact O-N 2.99Å |
| 852 | A | 61.5 | Low | 58.1 | Low | 44 Ų | 44 | 74.2 Ų | 74.2 | 36% | 0.364 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L848 E849 T850 A855 E856 | L848-A852 WeakPolarHBondContact O-CB 3.4Å; L848-A852 PolarHBondContact O-N 3.24Å; E849-A852 PolarHBondContact O-N 3.01Å; T850-A852 VanDerWaalsContact C-N 3.34Å; T850-A852 PolarHBondContact O-N 3.43Å; A852-A855 PolarHBondContact O-N 3.33Å; A852-E856 WeakPolarHBondContact O-CB 3.35Å; A852-E856 PolarHBondContact O-N 3.29Å |
| 853 | Q | 63.4 | Low | 58.2 | Low | 91 Ų | 91 | 76.4 Ų | 76.4 | 43% | 0.425 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.2 | -36 | 175.3 | -75.3 | 176.7 | 3.1 | 0 | 0 | 112.2 | E849 T850 E856 Q857 | E849-Q853 WeakPolarHBondContact O-CB 3.09Å; E849-Q853 VanDerWaalsContact O-CG 3.29Å; E849-Q853 WeakPolarHBondContact O-CG 3.42Å; E849-Q853 PolarHBondContact O-N 2.84Å; T850-Q853 PolarHBondContact O-N 3.18Å; Q853-E856 PolarHBondContact O-N 3.47Å; Q853-Q857 VanDerWaalsContact O-CB 3.31Å; Q853-Q857 WeakPolarHBondContact O-CB 3.46Å; Q853-Q857 VanDerWaalsContact O-CG 3.27Å; Q853-Q857 WeakPolarHBondContact O-CG 3.09Å; Q853-Q857 PolarHBondContact O-N 3.33Å |
| 854 | T | 61.4 | Low | 58.4 | Low | 1 Ų | 1 | 79.3 Ų | 79.3 | 1% | 0.006 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -70.1 | -39.1 | 174.7 | 43.9 | 0 | 0 | 0 | 0 | 112.7 | T850 I851 E856 Q857 A858 I869 Q873 | T850-T854 WeakPolarHBondContact O-CG2 3.49Å; T850-T854 PolarHBondContact O-N 3.06Å; T850-T854 PolarHBondContact O-OG1 3.12Å; I851-T854 VanDerWaalsContact C-OG1 3.29Å; I851-T854 VanDerWaalsContact CA-OG1 3.25Å; I851-T854 WeakPolarHBondContact CA-OG1 3.33Å; I851-T854 PolarHBondContact O-N 3.1Å; I851-T854 PolarHBondContact O-OG1 3.04Å; T854-E856 VanDerWaalsContact C-N 3.27Å; T854-E856 PolarHBondContact O-N 2.99Å; T854-Q857 PolarHBondContact O-N 3.39Å; T854-A858 VanDerWaalsContact O-CB 3.28Å; T854-A858 WeakPolarHBondContact O-CB 3.34Å; T854-A858 PolarHBondContact O-N 2.62Å; T854-I869 HydrophobicContact CG2-CG2 3.74Å; T854-Q873 HydrophobicContact CG2-CG 4.15Å |
| 855 | A | 60.8 | Low | 58.7 | Low | 24 Ų | 24 | 80.7 Ų | 80.7 | 20% | 0.198 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64.7 | -36.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | I851 A852 K859 | I851-A855 WeakPolarHBondContact O-CB 3.41Å; I851-A855 PolarHBondContact O-N 2.99Å; A852-A855 PolarHBondContact O-N 3.33Å; A855-K859 PolarHBondContact O-N 3.12Å |
| 856 | E | 59.6 | Low | 58.7 | Low | 137 Ų | 137 | 76.3 Ų | 76.3 | 64% | 0.64 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -74.4 | -37.1 | 175.5 | -160 | 168.3 | -157.5 | 0 | 0 | 112.3 | A852 Q853 T854 K859 | A852-E856 WeakPolarHBondContact O-CB 3.35Å; A852-E856 PolarHBondContact O-N 3.29Å; Q853-E856 PolarHBondContact O-N 3.47Å; T854-E856 VanDerWaalsContact C-N 3.27Å; T854-E856 PolarHBondContact O-N 2.99Å; E856-K859 WeakPolarHBondContact O-CB 3.33Å; E856-K859 PolarHBondContact O-N 3.38Å |
| 857 | Q | 60.4 | Low | 58.8 | Low | 99 Ų | 99 | 81.3 Ų | 81.3 | 46% | 0.463 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.5 | -37.7 | 172.1 | -79.8 | 176.1 | -19 | 0 | 0 | 111.9 | Q853 T854 K859 V860 E861 | Q853-Q857 VanDerWaalsContact O-CB 3.31Å; Q853-Q857 WeakPolarHBondContact O-CB 3.46Å; Q853-Q857 VanDerWaalsContact O-CG 3.27Å; Q853-Q857 WeakPolarHBondContact O-CG 3.09Å; Q853-Q857 PolarHBondContact O-N 3.33Å; T854-Q857 PolarHBondContact O-N 3.39Å; Q857-K859 PolarHBondContact O-N 2.79Å; Q857-V860 PolarHBondContact O-N 3.11Å; Q857-E861 PolarHBondContact O-N 2.86Å |
| 858 | A | 59.5 | Low | 59.1 | Low | 26 Ų | 26 | 82.8 Ų | 82.8 | 22% | 0.215 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -66.3 | -24.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | T854 V860 L866 I869 | T854-A858 VanDerWaalsContact O-CB 3.28Å; T854-A858 WeakPolarHBondContact O-CB 3.34Å; T854-A858 PolarHBondContact O-N 2.62Å; A858-V860 VanDerWaalsContact C-N 3.26Å; A858-V860 PolarHBondContact O-N 3.34Å; A858-L866 HydrophobicContact CB-CD1 3.75Å; A858-I869 HydrophobicContact CB-CD1 4.32Å |
| 859 | K | 53.8 | Low | 59.5 | Low | 130 Ų | 130 | 82 Ų | 82 | 57% | 0.565 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -18.8 | 170.3 | -74.4 | -172.4 | 176.5 | -168.2 | 0 | 113.1 | E831 A855 E856 Q857 | E831-K859 IonicContact OE1-NZ 2.66Å; E831-K859 PolarHBondContact OE1-NZ 3.38Å; E831-K859 VanDerWaalsContact OE1-NZ 3.1Å; A855-K859 PolarHBondContact O-N 3.12Å; E856-K859 WeakPolarHBondContact O-CB 3.33Å; E856-K859 PolarHBondContact O-N 3.38Å; Q857-K859 PolarHBondContact O-N 2.79Å |
| 860 | V | 57.8 | Low | 59.5 | Low | 122 Ų | 122 | 78.5 Ų | 78.5 | 74% | 0.739 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | -31.4 | -177.2 | -177.7 | 0 | 0 | 0 | 0 | 111.8 | Q857 A858 | Q857-V860 PolarHBondContact O-N 3.11Å; A858-V860 VanDerWaalsContact C-N 3.26Å; A858-V860 PolarHBondContact O-N 3.34Å |
| 861 | E | 55.8 | Low | 59.3 | Low | 89 Ų | 89 | 83.8 Ų | 83.8 | 42% | 0.416 | 42% | 0.42 | S | S | . | . | trans | -101.6 | 85.1 | 176.1 | -68.4 | -171 | 177.5 | 0 | 0 | 110.9 | Q857 E863 R864 | Q857-E861 PolarHBondContact O-N 2.86Å; E861-E863 PolarHBondContact O-N 3.36Å; E861-R864 IonicContact OE1-NH2 3.27Å; E861-R864 PolarHBondContact OE1-NH2 3.49Å; E861-R864 IonicContact OE2-CZ 2.7Å; E861-R864 IonicContact OE2-NE 2.72Å; E861-R864 PolarHBondContact OE2-NE 2.99Å; E861-R864 IonicContact OE2-NH2 3.12Å; E861-R864 PolarHBondContact OE2-NH2 3.26Å | ||
| 862 | D | 53.9 | Low | 59.6 | Low | 160 Ų | 160 | 88.3 Ų | 88.3 | 86% | 0.856 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -0.5 | -176.9 | -102.3 | -23.4 | 0 | 0 | 0 | 116.3 | ||
| 863 | E | 56.8 | Low | 59.6 | Low | 187 Ų | 187 | 87.9 Ų | 87.9 | 87% | 0.874 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.1 | -7.1 | -169.7 | -70.4 | -168.9 | 159.8 | 0 | 0 | 116.3 | E861 | E861-E863 PolarHBondContact O-N 3.36Š|
| 864 | R | 56.5 | Low | 59.2 | Low | 124 Ų | 124 | 85 Ų | 85 | 47% | 0.468 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -109.6 | 131.6 | -178 | -80 | -167.9 | -92.5 | -161.1 | -6.2 | 113.6 | E861 L866 I869 | E861-R864 IonicContact OE1-NH2 3.27Å; E861-R864 PolarHBondContact OE1-NH2 3.49Å; E861-R864 IonicContact OE2-CZ 2.7Å; E861-R864 IonicContact OE2-NE 2.72Å; E861-R864 PolarHBondContact OE2-NE 2.99Å; E861-R864 IonicContact OE2-NH2 3.12Å; E861-R864 PolarHBondContact OE2-NH2 3.26Å; R864-L866 PolarHBondContact O-N 3.02Å; R864-I869 HydrophobicContact CB-CD1 4.09Å; R864-I869 HydrophobicContact CB-CG1 4.21Å |
| 865 | P | 59.6 | Low | 59.3 | Low | 76 Ų | 76 | 91.6 Ų | 91.6 | 49% | 0.494 | 45% | 0.454 | S | S | . | . | trans | -63.3 | 132.5 | 175.7 | 24.2 | -29.6 | 0 | 0 | 0 | 110.5 | D867 E868 | P865-D867 PolarHBondContact O-N 3.44Å; P865-E868 HydrophobicContact CG-CB 4.06Å; P865-E868 PolarHBondContact O-N 3.34Å | ||
| 866 | L | 55.1 | Low | 59.4 | Low | 47 Ų | 47 | 96.5 Ų | 96.5 | 25% | 0.246 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -50.1 | -36.6 | -176.7 | -174.6 | 63.5 | 0 | 0 | 0 | 112.4 | L832 M840 A858 R864 E868 I869 M870 | L832-L866 HydrophobicContact CD1-CD2 4.31Å; M840-L866 HydrophobicContact CE-CD2 4.45Å; A858-L866 HydrophobicContact CB-CD1 3.75Å; R864-L866 PolarHBondContact O-N 3.02Å; L866-E868 VanDerWaalsContact C-N 3.33Å; L866-E868 PolarHBondContact O-N 3.25Å; L866-I869 PolarHBondContact O-N 3.23Å; L866-M870 HydrophobicContact CG-SD 4.05Å; L866-M870 WeakPolarHBondContact O-CB 3.49Å; L866-M870 WeakPolarHBondContact O-CG 3.42Å; L866-M870 PolarHBondContact O-N 3.38Å; L866-M870 VanDerWaalsContact O-N 3.12Å |
| 867 | D | 57.6 | Low | 59.2 | Low | 119 Ų | 119 | 91.1 Ų | 91.1 | 64% | 0.636 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -65.4 | -30.8 | -178.9 | -60.3 | -36.2 | 0 | 0 | 0 | 113.7 | P865 R871 | P865-D867 PolarHBondContact O-N 3.44Å; D867-R871 PolarHBondContact O-N 3.01Å |
| 868 | E | 66.1 | Low | 59 | Low | 108 Ų | 108 | 93.5 Ų | 93.5 | 51% | 0.505 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -76.4 | -43.3 | -179.4 | -166.1 | 172.2 | -151.9 | 0 | 0 | 111.2 | P865 L866 M870 R871 E872 | P865-E868 HydrophobicContact CG-CB 4.06Å; P865-E868 PolarHBondContact O-N 3.34Å; L866-E868 VanDerWaalsContact C-N 3.33Å; L866-E868 PolarHBondContact O-N 3.25Å; E868-M870 PolarHBondContact O-N 3.01Å; E868-R871 PolarHBondContact O-N 3.48Å; E868-E872 PolarHBondContact O-N 3.47Å |
| 869 | I | 66.1 | Low | 58.8 | Low | 19 Ų | 19 | 99.8 Ų | 99.8 | 10% | 0.097 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -59.2 | -40 | 173.1 | -57.8 | 176.1 | 0 | 0 | 0 | 109.9 | T854 A858 R864 L866 Q873 | T854-I869 HydrophobicContact CG2-CG2 3.74Å; A858-I869 HydrophobicContact CB-CD1 4.32Å; R864-I869 HydrophobicContact CB-CD1 4.09Å; R864-I869 HydrophobicContact CB-CG1 4.21Å; L866-I869 PolarHBondContact O-N 3.23Å; I869-Q873 PolarHBondContact O-N 3.39Å |
| 870 | M | 58.1 | Low | 58.9 | Low | 17 Ų | 17 | 101.2 Ų | 101.2 | 8% | 0.084 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -68 | -40.1 | 178.4 | -74.4 | 177.6 | 66.8 | 0 | 0 | 113.4 | M840 T844 M846 L866 E868 Q873 A874 | M840-M870 HydrophobicContact CE-CE 3.17Å; M840-M870 HydrophobicContact CE-SD 3.17Å; M840-M870 WeakPolarHBondContact CE-SD 3.42Å; T844-M870 HydrophobicContact CG2-CE 3.89Å; M846-M870 HydrophobicContact CE-CB 4.24Å; M846-M870 HydrophobicContact CE-CE 3.44Å; M846-M870 VanDerWaalsContact CE-CE 3.44Å; M846-M870 HydrophobicContact CE-CG 4.24Å; L866-M870 HydrophobicContact CG-SD 4.05Å; L866-M870 WeakPolarHBondContact O-CB 3.49Å; L866-M870 WeakPolarHBondContact O-CG 3.42Å; L866-M870 PolarHBondContact O-N 3.38Å; L866-M870 VanDerWaalsContact O-N 3.12Å; E868-M870 PolarHBondContact O-N 3.01Å; M870-Q873 PolarHBondContact O-N 3.05Å; M870-A874 WeakPolarHBondContact O-CB 3.37Å; M870-A874 PolarHBondContact O-N 2.98Å |
| 871 | R | 61.3 | Low | 58.7 | Low | 138 Ų | 138 | 99.5 Ų | 99.5 | 52% | 0.521 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 176.4 | -87.7 | -175.5 | 171.3 | 160.6 | 2.9 | 112 | D867 E868 Q873 A874 E875 | D867-R871 PolarHBondContact O-N 3.01Å; E868-R871 PolarHBondContact O-N 3.48Å; R871-Q873 VanDerWaalsContact C-N 3.32Å; R871-Q873 PolarHBondContact O-N 2.83Å; R871-A874 PolarHBondContact O-N 3.34Å; R871-E875 PolarHBondContact O-N 3.42Å; R871-E875 VanDerWaalsContact O-N 3.07Å |
| 872 | E | 65.8 | Low | 58.3 | Low | 97 Ų | 97 | 106.2 Ų | 106.2 | 45% | 0.453 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.4 | -39.1 | 178.4 | -75.4 | -165 | 173.1 | 0 | 0 | 112.7 | E868 K876 | E868-E872 PolarHBondContact O-N 3.47Å; E872-K876 WeakPolarHBondContact O-CG 3.42Å; E872-K876 PolarHBondContact O-N 3.2Å; E872-K876 IonicContact OE2-NZ 2.76Å |
| 873 | Q | 61.5 | Low | 57.7 | Low | 35 Ų | 35 | 108.1 Ų | 108.1 | 16% | 0.164 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -74 | -36 | 178.1 | -72.9 | -163.3 | 0.9 | 0 | 0 | 112.7 | T854 I869 M870 R871 E875 K876 E877 | T854-Q873 HydrophobicContact CG2-CG 4.15Å; I869-Q873 PolarHBondContact O-N 3.39Å; M870-Q873 PolarHBondContact O-N 3.05Å; R871-Q873 VanDerWaalsContact C-N 3.32Å; R871-Q873 PolarHBondContact O-N 2.83Å; Q873-E875 VanDerWaalsContact C-N 3.32Å; Q873-E875 PolarHBondContact O-N 2.99Å; Q873-K876 PolarHBondContact O-N 3.04Å; Q873-E877 PolarHBondContact O-N 3.49Å |
| 874 | A | 56.7 | Low | 56.8 | Low | 30 Ų | 30 | 102.8 Ų | 102.8 | 25% | 0.248 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -60.7 | -40.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | M846 M870 R871 Q878 | M846-A874 HydrophobicContact CG-CB 4.42Å; M846-A874 HydrophobicContact SD-CB 3.9Å; M870-A874 WeakPolarHBondContact O-CB 3.37Å; M870-A874 PolarHBondContact O-N 2.98Å; R871-A874 PolarHBondContact O-N 3.34Å; A874-Q878 WeakPolarHBondContact O-CG 3.26Å; A874-Q878 PolarHBondContact O-N 3.33Å; A874-Q878 VanDerWaalsContact O-N 3.09Å |
| 875 | E | 63.1 | Low | 56.1 | Low | 139 Ų | 139 | 104.7 Ų | 104.7 | 65% | 0.65 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.9 | -38.8 | 175.1 | -72.8 | -173.1 | 167.9 | 0 | 0 | 112.6 | R871 Q873 Q878 M879 | R871-E875 PolarHBondContact O-N 3.42Å; R871-E875 VanDerWaalsContact O-N 3.07Å; Q873-E875 VanDerWaalsContact C-N 3.32Å; Q873-E875 PolarHBondContact O-N 2.99Å; E875-Q878 PolarHBondContact O-N 3.26Å; E875-M879 PolarHBondContact O-N 3.46Å |
| 876 | K | 61.7 | Low | 55.4 | Low | 127 Ų | 127 | 110.8 Ų | 110.8 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.3 | -44.9 | 176.1 | -74.1 | 169.1 | -175.1 | 160.9 | 0 | 111.8 | E872 Q873 M879 E880 | E872-K876 WeakPolarHBondContact O-CG 3.42Å; E872-K876 PolarHBondContact O-N 3.2Å; E872-K876 IonicContact OE2-NZ 2.76Å; Q873-K876 PolarHBondContact O-N 3.04Å; K876-M879 PolarHBondContact O-N 2.98Å; K876-E880 PolarHBondContact O-N 3.36Å |
| 877 | E | 57 | Low | 55 | Low | 24 Ų | 24 | 118.8 Ų | 118.8 | 11% | 0.112 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -68.3 | -34 | 177.9 | -82.5 | -157.1 | 161 | 0 | 0 | 113.4 | T850 Q873 M879 E880 K881 | T850-E877 PolarHBondContact OG1-OE1 3.14Å; Q873-E877 PolarHBondContact O-N 3.49Å; E877-M879 PolarHBondContact O-N 3.06Å; E877-E880 PolarHBondContact O-N 3.17Å; E877-E880 VanDerWaalsContact O-N 3.17Å; E877-K881 WeakPolarHBondContact O-CG 3.39Å; E877-K881 PolarHBondContact O-N 3.44Å; E877-K881 WeakPolarHBondContact OE2-CE 3.32Å; E877-K881 IonicContact OE2-NZ 3.6Å; E877-K881 PolarHBondContact OE2-NZ 2.89Å |
| 878 | Q | 55.4 | Low | 55.2 | Low | 149 Ų | 149 | 115.8 Ų | 115.8 | 70% | 0.696 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.8 | -30.9 | 175.7 | -80.8 | -170.1 | 5.4 | 0 | 0 | 112.3 | A874 E875 | A874-Q878 WeakPolarHBondContact O-CG 3.26Å; A874-Q878 PolarHBondContact O-N 3.33Å; A874-Q878 VanDerWaalsContact O-N 3.09Å; E875-Q878 PolarHBondContact O-N 3.26Å |
| 879 | M | 55 | Low | 54.7 | Low | 158 Ų | 158 | 119.4 Ų | 119.4 | 78% | 0.778 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -73 | -32.5 | 173.1 | -76.3 | -151.8 | -94.6 | 0 | 0 | 113.4 | E875 K876 E877 | E875-M879 PolarHBondContact O-N 3.46Å; K876-M879 PolarHBondContact O-N 2.98Å; E877-M879 PolarHBondContact O-N 3.06Å |
| 880 | E | 57 | Low | 54.4 | Low | 161 Ų | 161 | 123.6 Ų | 123.6 | 75% | 0.752 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -80.6 | -30.5 | 180 | -73.8 | -164.4 | 148.4 | 0 | 0 | 114.2 | K876 E877 R882 | K876-E880 PolarHBondContact O-N 3.36Å; E877-E880 PolarHBondContact O-N 3.17Å; E877-E880 VanDerWaalsContact O-N 3.17Å; E880-R882 PolarHBondContact O-N 3.13Å |
| 881 | K | 52.4 | Low | 54.8 | Low | 85 Ų | 85 | 126.7 Ų | 126.7 | 37% | 0.37 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.1 | -2.1 | -176.4 | -79.9 | 170.4 | -177.8 | 159.6 | 0 | 115.5 | D845 E877 | D845-K881 PolarHBondContact O-NZ 3.34Å; E877-K881 WeakPolarHBondContact O-CG 3.39Å; E877-K881 PolarHBondContact O-N 3.44Å; E877-K881 WeakPolarHBondContact OE2-CE 3.32Å; E877-K881 IonicContact OE2-NZ 3.6Å; E877-K881 PolarHBondContact OE2-NZ 2.89Å |
| 882 | R | 47.8 | Very low | 54.8 | Low | 231 Ų | 231 | 122.1 Ų | 122.1 | 87% | 0.872 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -6.1 | 177.3 | -84 | -174.5 | 176 | 178.6 | 0.8 | 115.8 | E880 | E880-R882 PolarHBondContact O-N 3.13Š|
| 883 | K | 40.8 | Very low | 54.5 | Low | 199 Ų | 199 | 120.9 Ų | 120.9 | 87% | 0.865 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -120.2 | 103.6 | 180 | -69.8 | -178.2 | 179.9 | 175.4 | 0 | 113.2 | ||
| 884 | G | 38.8 | Very low | 54.7 | Low | 76 Ų | 76 | 124.6 Ų | 124.6 | 78% | 0.784 | 61% | 0.611 | S | S | * | * | trans | 86.6 | 74.4 | 153.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 885 | K | 40.5 | Very low | 55.2 | Low | 163 Ų | 163 | 127.2 Ų | 127.2 | 71% | 0.709 | 62% | 0.617 | S | S | * | * | trans | -93.8 | 108.5 | 172.1 | -72.3 | 177.6 | 178.3 | 179.1 | 0 | 111.9 | ||||
| 886 | K | 46.5 | Very low | 55.3 | Low | 205 Ų | 205 | 124.5 Ų | 124.5 | 89% | 0.891 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -167.4 | -23.6 | 147.4 | -109.2 | 171.8 | -174.5 | -179.4 | 0 | 114.4 | ||
| 887 | Y | 46.7 | Very low | 55.5 | Low | 214 Ų | 214 | 123 Ų | 123 | 84% | 0.839 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -90.9 | -6.4 | 171.5 | -80.1 | -86.4 | 0 | 0 | 0 | 114.3 | V891 | Y887-V891 WeakPolarHBondContact O-CG2 3.47Š|
| 888 | S | 60.2 | Low | 56.3 | Low | 57 Ų | 57 | 128 Ų | 128 | 40% | 0.399 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -74.3 | -34.5 | -173.7 | 101.8 | 0 | 0 | 0 | 0 | 114 | V890 V891 S892 | S888-V890 PolarHBondContact O-N 3.39Å; S888-V891 PolarHBondContact O-N 3.4Å; S888-S892 VanDerWaalsContact O-CB 3.27Å; S888-S892 WeakPolarHBondContact O-CB 3.31Å; S888-S892 PolarHBondContact O-N 3.04Å; S888-S892 PolarHBondContact O-OG 3.4Å |
| 889 | K | 56.4 | Low | 57.1 | Low | 183 Ų | 183 | 122.9 Ų | 122.9 | 80% | 0.796 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63 | -39.8 | -176.4 | -77 | -171.2 | 177.4 | -173.1 | 0 | 114.3 | C893 | K889-C893 VanDerWaalsContact O-CB 3.26Å; K889-C893 WeakPolarHBondContact O-CB 2.99Å; K889-C893 PolarHBondContact O-N 3.17Å |
| 890 | V | 60.5 | Low | 57.8 | Low | 108 Ų | 108 | 119.2 Ų | 119.2 | 66% | 0.655 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -73.1 | -41.8 | 178.1 | 179.3 | 0 | 0 | 0 | 0 | 110.4 | S888 C893 L894 | S888-V890 PolarHBondContact O-N 3.39Å; V890-C893 PolarHBondContact O-N 3.19Å; V890-L894 WeakPolarHBondContact O-CB 3.36Å; V890-L894 PolarHBondContact O-N 3.38Å |
| 891 | V | 66 | Low | 58.6 | Low | 82 Ų | 82 | 115.1 Ų | 115.1 | 50% | 0.497 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.3 | -42 | 177.6 | 176.9 | 0 | 0 | 0 | 0 | 111.3 | Y887 S888 L894 K895 | Y887-V891 WeakPolarHBondContact O-CG2 3.47Å; S888-V891 PolarHBondContact O-N 3.4Å; V891-L894 PolarHBondContact O-N 3.29Å; V891-K895 HydrophobicContact CG1-CD 4.44Å; V891-K895 HydrophobicContact CG1-CG 4.45Å; V891-K895 WeakPolarHBondContact O-CB 3.37Å; V891-K895 WeakPolarHBondContact O-CG 3.3Å; V891-K895 PolarHBondContact O-N 3.4Å |
| 892 | S | 60.2 | Low | 59.8 | Low | 41 Ų | 41 | 113.7 Ų | 113.7 | 29% | 0.287 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.2 | -37.2 | 174 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | S888 F896 | S888-S892 VanDerWaalsContact O-CB 3.27Å; S888-S892 WeakPolarHBondContact O-CB 3.31Å; S888-S892 PolarHBondContact O-N 3.04Å; S888-S892 PolarHBondContact O-OG 3.4Å; S892-F896 WeakPolarHBondContact O-CB 3.49Å; S892-F896 PolarHBondContact O-N 2.75Å |
| 893 | C | 60.6 | Low | 60.9 | Low | 71 Ų | 71 | 105.5 Ų | 105.5 | 48% | 0.48 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.9 | -40.7 | 172.4 | -179.1 | 0 | 0 | 0 | 0 | 112.2 | K889 V890 F896 L897 | K889-C893 VanDerWaalsContact O-CB 3.26Å; K889-C893 WeakPolarHBondContact O-CB 2.99Å; K889-C893 PolarHBondContact O-N 3.17Å; V890-C893 PolarHBondContact O-N 3.19Å; C893-F896 PolarHBondContact O-N 3.26Å; C893-L897 WeakPolarHBondContact O-CB 3.22Å; C893-L897 PolarHBondContact O-N 3.36Å |
| 894 | L | 65.4 | Low | 62.4 | Low | 113 Ų | 113 | 99.9 Ų | 99.9 | 59% | 0.592 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -71.3 | -37.7 | 179 | -137.4 | 140.5 | 0 | 0 | 0 | 111.7 | V890 V891 Q898 | V890-L894 WeakPolarHBondContact O-CB 3.36Å; V890-L894 PolarHBondContact O-N 3.38Å; V891-L894 PolarHBondContact O-N 3.29Å; L894-Q898 WeakPolarHBondContact O-CB 3.49Å; L894-Q898 PolarHBondContact O-N 2.9Å |
| 895 | K | 67.8 | Low | 64.4 | Low | 86 Ų | 86 | 98 Ų | 98 | 37% | 0.374 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 168.9 | -79.1 | -175.9 | 162.4 | -150.3 | 0 | 111.9 | E849 V891 Q898 A899 | E849-K895 IonicContact OE2-NZ 3.56Å; E849-K895 PolarHBondContact OE2-NZ 3.12Å; V891-K895 HydrophobicContact CG1-CD 4.44Å; V891-K895 HydrophobicContact CG1-CG 4.45Å; V891-K895 WeakPolarHBondContact O-CB 3.37Å; V891-K895 WeakPolarHBondContact O-CG 3.3Å; V891-K895 PolarHBondContact O-N 3.4Å; K895-Q898 PolarHBondContact O-N 3.38Å; K895-A899 WeakPolarHBondContact O-CB 3.32Å; K895-A899 PolarHBondContact O-N 3.46Å |
| 896 | F | 64.3 | Low | 66.2 | Low | 81 Ų | 81 | 92.5 Ų | 92.5 | 36% | 0.355 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 175 | 177.4 | -92.7 | 0 | 0 | 0 | 111.4 | L848 S892 C893 Q898 A899 L900 | L848-F896 HydrophobicContact CD2-CD2 3.67Å; L848-F896 HydrophobicContact CD2-CE2 3.7Å; S892-F896 WeakPolarHBondContact O-CB 3.49Å; S892-F896 PolarHBondContact O-N 2.75Å; C893-F896 PolarHBondContact O-N 3.26Å; F896-Q898 PolarHBondContact O-N 3.22Å; F896-A899 PolarHBondContact O-N 3.18Å; F896-L900 HydrophobicContact CE1-CD1 3.93Å; F896-L900 HydrophobicContact CZ-CD1 4.14Å; F896-L900 VanDerWaalsContact O-CB 3.25Å; F896-L900 WeakPolarHBondContact O-CB 3.33Å; F896-L900 PolarHBondContact O-N 3.27Å |
| 897 | L | 67.4 | Low | 67.5 | Low | 96 Ų | 96 | 88.8 Ų | 88.8 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 172.7 | -87.1 | 158.8 | 0 | 0 | 0 | 111.5 | C893 L900 V901 | C893-L897 WeakPolarHBondContact O-CB 3.22Å; C893-L897 PolarHBondContact O-N 3.36Å; L897-L900 PolarHBondContact O-N 2.83Å; L897-V901 WeakPolarHBondContact O-CB 3.45Å; L897-V901 WeakPolarHBondContact O-CG2 3.43Å; L897-V901 PolarHBondContact O-N 3.38Å |
| 898 | Q | 73.6 | Confident | 69 | Low | 128 Ų | 128 | 79.8 Ų | 79.8 | 60% | 0.598 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -62.2 | -45.6 | 175.6 | -177.4 | -179.2 | -10.3 | 0 | 0 | 111.8 | L894 K895 F896 V901 V902 | L894-Q898 WeakPolarHBondContact O-CB 3.49Å; L894-Q898 PolarHBondContact O-N 2.9Å; K895-Q898 PolarHBondContact O-N 3.38Å; F896-Q898 PolarHBondContact O-N 3.22Å; Q898-V901 PolarHBondContact O-N 2.85Å; Q898-V902 WeakPolarHBondContact O-CB 3.46Å; Q898-V902 VanDerWaalsContact O-CG2 3.28Å; Q898-V902 WeakPolarHBondContact O-CG2 3.39Å; Q898-V902 PolarHBondContact O-N 2.73Å |
| 899 | A | 71 | Confident | 70.1 | Confident | 42 Ų | 42 | 77.1 Ų | 77.1 | 35% | 0.347 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K895 F896 V902 S903 | K895-A899 WeakPolarHBondContact O-CB 3.32Å; K895-A899 PolarHBondContact O-N 3.46Å; F896-A899 PolarHBondContact O-N 3.18Å; A899-V902 PolarHBondContact O-N 3.33Å; A899-S903 VanDerWaalsContact O-CB 3.28Å; A899-S903 WeakPolarHBondContact O-CB 3.32Å; A899-S903 PolarHBondContact O-N 3.06Å |
| 900 | L | 69.5 | Low | 70.9 | Confident | 82 Ų | 82 | 73.1 Ų | 73.1 | 43% | 0.429 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 175.4 | -174.7 | 145.5 | 0 | 0 | 0 | 111.4 | F896 L897 C904 | F896-L900 HydrophobicContact CE1-CD1 3.93Å; F896-L900 HydrophobicContact CZ-CD1 4.14Å; F896-L900 VanDerWaalsContact O-CB 3.25Å; F896-L900 WeakPolarHBondContact O-CB 3.33Å; F896-L900 PolarHBondContact O-N 3.27Å; L897-L900 PolarHBondContact O-N 2.83Å; L900-C904 WeakPolarHBondContact O-CB 3.44Å; L900-C904 PolarHBondContact O-N 3.48Å |
| 901 | V | 75 | Confident | 71.6 | Confident | 74 Ų | 74 | 72.9 Ų | 72.9 | 45% | 0.448 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.4 | -45.8 | 174.5 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | L897 Q898 C904 M905 | L897-V901 WeakPolarHBondContact O-CB 3.45Å; L897-V901 WeakPolarHBondContact O-CG2 3.43Å; L897-V901 PolarHBondContact O-N 3.38Å; Q898-V901 PolarHBondContact O-N 2.85Å; V901-C904 PolarHBondContact O-N 3.2Å; V901-M905 HydrophobicContact CG1-CG 4.34Å; V901-M905 HydrophobicContact CG1-SD 3.92Å; V901-M905 WeakPolarHBondContact O-CB 3.31Å; V901-M905 WeakPolarHBondContact O-CG 3.3Å; V901-M905 PolarHBondContact O-N 3.48Å |
| 902 | V | 77.3 | Confident | 72.5 | Confident | 56 Ų | 56 | 70.8 Ų | 70.8 | 34% | 0.339 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 178.4 | 171 | 0 | 0 | 0 | 0 | 111.7 | Q898 A899 M905 N906 A988 | Q898-V902 WeakPolarHBondContact O-CB 3.46Å; Q898-V902 VanDerWaalsContact O-CG2 3.28Å; Q898-V902 WeakPolarHBondContact O-CG2 3.39Å; Q898-V902 PolarHBondContact O-N 2.73Å; A899-V902 PolarHBondContact O-N 3.33Å; V902-M905 PolarHBondContact O-N 2.83Å; V902-N906 WeakPolarHBondContact O-CB 3.26Å; V902-N906 PolarHBondContact O-N 3.4Å; V902-A988 HydrophobicContact CG1-CB 4.21Å |
| 903 | S | 70.1 | Confident | 73.4 | Confident | 58 Ų | 58 | 70 Ų | 70 | 41% | 0.406 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.3 | -46.1 | 176.4 | 179.1 | 0 | 0 | 0 | 0 | 111.6 | A899 M905 N906 K907 | A899-S903 VanDerWaalsContact O-CB 3.28Å; A899-S903 WeakPolarHBondContact O-CB 3.32Å; A899-S903 PolarHBondContact O-N 3.06Å; S903-M905 VanDerWaalsContact C-N 3.34Å; S903-M905 PolarHBondContact O-N 2.91Å; S903-N906 PolarHBondContact O-N 3.32Å; S903-K907 WeakPolarHBondContact O-CB 3.41Å; S903-K907 PolarHBondContact O-N 2.59Å |
| 904 | C | 72.7 | Confident | 74.2 | Confident | 81 Ų | 81 | 71.7 Ų | 71.7 | 55% | 0.547 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.7 | -42.1 | 174.4 | -174.7 | 0 | 0 | 0 | 0 | 111.7 | L900 V901 K907 A908 | L900-C904 WeakPolarHBondContact O-CB 3.44Å; L900-C904 PolarHBondContact O-N 3.48Å; V901-C904 PolarHBondContact O-N 3.2Å; C904-K907 PolarHBondContact O-N 2.82Å; C904-A908 WeakPolarHBondContact O-CB 3.41Å; C904-A908 PolarHBondContact O-N 3.03Å |
| 905 | M | 80.7 | Confident | 74.7 | Confident | 38 Ų | 38 | 70.7 Ų | 70.7 | 19% | 0.187 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 175.9 | -73.6 | -179.5 | 75.1 | 0 | 0 | 112.6 | V901 V902 S903 S909 V989 F992 | V901-M905 HydrophobicContact CG1-CG 4.34Å; V901-M905 HydrophobicContact CG1-SD 3.92Å; V901-M905 WeakPolarHBondContact O-CB 3.31Å; V901-M905 WeakPolarHBondContact O-CG 3.3Å; V901-M905 PolarHBondContact O-N 3.48Å; V902-M905 PolarHBondContact O-N 2.83Å; S903-M905 VanDerWaalsContact C-N 3.34Å; S903-M905 PolarHBondContact O-N 2.91Å; M905-S909 VanDerWaalsContact O-CB 3.26Å; M905-S909 WeakPolarHBondContact O-CB 3.29Å; M905-S909 PolarHBondContact O-N 3.24Å; M905-S909 PolarHBondContact O-OG 3.49Å; M905-V989 HydrophobicContact CE-CB 4.25Å; M905-V989 HydrophobicContact CE-CG2 4Å; M905-F992 HydrophobicContact CE-CB 3.66Å; M905-F992 HydrophobicContact CE-CD1 4.15Å; M905-F992 HydrophobicContact CE-CG 3.93Å |
| 906 | N | 78.1 | Confident | 75.4 | Confident | 47 Ų | 47 | 66.7 Ų | 66.7 | 25% | 0.251 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.1 | -44.7 | 175.8 | -75.8 | -20.8 | 0 | 0 | 0 | 111.2 | V902 S903 A908 S909 N910 | V902-N906 WeakPolarHBondContact O-CB 3.26Å; V902-N906 PolarHBondContact O-N 3.4Å; S903-N906 PolarHBondContact O-N 3.32Å; N906-A908 PolarHBondContact O-N 3.4Å; N906-S909 PolarHBondContact O-N 2.92Å; N906-N910 WeakPolarHBondContact O-CB 3.34Å; N906-N910 PolarHBondContact O-N 3.4Å; N906-N910 PolarHBondContact O-OD1 3.24Å |
| 907 | K | 74.4 | Confident | 75.9 | Confident | 126 Ų | 126 | 65.1 Ų | 65.1 | 55% | 0.548 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 176 | -167.2 | 165.4 | -174.3 | 164.5 | 0 | 111.5 | S903 C904 N910 F911 | S903-K907 WeakPolarHBondContact O-CB 3.41Å; S903-K907 PolarHBondContact O-N 2.59Å; C904-K907 PolarHBondContact O-N 2.82Å; K907-N910 PolarHBondContact O-N 3.36Å; K907-F911 WeakPolarHBondContact O-CB 3.42Å; K907-F911 PolarHBondContact O-N 3.19Å |
| 908 | A | 78.6 | Confident | 76.3 | Confident | 25 Ų | 25 | 64.3 Ų | 64.3 | 21% | 0.207 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66 | -39.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | C904 N906 F911 F912 F992 | C904-A908 WeakPolarHBondContact O-CB 3.41Å; C904-A908 PolarHBondContact O-N 3.03Å; N906-A908 PolarHBondContact O-N 3.4Å; A908-F911 PolarHBondContact O-N 2.8Å; A908-F912 HydrophobicContact CB-CE2 4.5Å; A908-F912 WeakPolarHBondContact O-CB 3.29Å; A908-F912 WeakPolarHBondContact O-CD2 3.25Å; A908-F912 WeakPolarHBondContact O-CG 3.45Å; A908-F912 PolarHBondContact O-N 3.42Å; A908-F992 HydrophobicContact CB-CD2 4.19Å; A908-F992 HydrophobicContact CB-CE2 3.86Å |
| 909 | S | 81.6 | Confident | 76.7 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.014 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 175.8 | -58.9 | 0 | 0 | 0 | 0 | 111.3 | M905 N906 F912 N913 F992 | M905-S909 VanDerWaalsContact O-CB 3.26Å; M905-S909 WeakPolarHBondContact O-CB 3.29Å; M905-S909 PolarHBondContact O-N 3.24Å; M905-S909 PolarHBondContact O-OG 3.49Å; N906-S909 PolarHBondContact O-N 2.92Å; S909-F912 PolarHBondContact O-N 3.32Å; S909-N913 WeakPolarHBondContact O-CB 3.41Å; S909-N913 PolarHBondContact O-N 3.02Å; S909-N913 PolarHBondContact O-ND2 2.85Å; S909-F992 WeakPolarHBondContact OG-CA 3.43Å; S909-F992 WeakPolarHBondContact OG-CB 3.24Å; S909-F992 PolarHBondContact OG-N 3.16Å |
| 910 | N | 74.9 | Confident | 77.1 | Confident | 98 Ų | 98 | 58.1 Ų | 58.1 | 52% | 0.524 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 176.7 | -70.8 | -1.4 | 0 | 0 | 0 | 111 | N906 K907 N913 R914 | N906-N910 WeakPolarHBondContact O-CB 3.34Å; N906-N910 PolarHBondContact O-N 3.4Å; N906-N910 PolarHBondContact O-OD1 3.24Å; K907-N910 PolarHBondContact O-N 3.36Å; N910-N913 PolarHBondContact O-N 3.4Å; N910-R914 WeakPolarHBondContact O-CB 3.18Å; N910-R914 PolarHBondContact O-N 2.87Å |
| 911 | F | 75.5 | Confident | 77.5 | Confident | 104 Ų | 104 | 55 Ų | 55 | 46% | 0.456 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.1 | -48.5 | 174.4 | -179.9 | -101.5 | 0 | 0 | 0 | 112.1 | K907 A908 N913 R914 W915 | K907-F911 WeakPolarHBondContact O-CB 3.42Å; K907-F911 PolarHBondContact O-N 3.19Å; A908-F911 PolarHBondContact O-N 2.8Å; F911-N913 VanDerWaalsContact C-N 3.33Å; F911-N913 PolarHBondContact O-N 3.46Å; F911-R914 PolarHBondContact O-N 3.44Å; F911-W915 HydrophobicContact CE1-CE3 4Å; F911-W915 HydrophobicContact CE1-CZ3 4.35Å; F911-W915 HydrophobicContact CZ-CE3 4.42Å; F911-W915 PolarHBondContact O-N 3.46Å |
| 912 | F | 83.6 | Confident | 77.7 | Confident | 37 Ų | 37 | 51.7 Ų | 51.7 | 16% | 0.162 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.4 | -36 | 176.7 | -63.2 | -17.3 | 0 | 0 | 0 | 112.6 | A908 S909 W915 S916 F992 A995 L996 L999 | A908-F912 HydrophobicContact CB-CE2 4.5Å; A908-F912 WeakPolarHBondContact O-CB 3.29Å; A908-F912 WeakPolarHBondContact O-CD2 3.25Å; A908-F912 WeakPolarHBondContact O-CG 3.45Å; A908-F912 PolarHBondContact O-N 3.42Å; S909-F912 PolarHBondContact O-N 3.32Å; F912-W915 PolarHBondContact O-N 3.29Å; F912-S916 WeakPolarHBondContact O-CB 3.38Å; F912-S916 PolarHBondContact O-N 2.82Å; F912-S916 PolarHBondContact O-OG 3.15Å; F912-F992 HydrophobicContact CD2-CE2 4.24Å; F912-F992 HydrophobicContact CE2-CD2 4.24Å; F912-F992 AromaticContact CE2-CE2 3.51Å; F912-F992 HydrophobicContact CE2-CE2 3.51Å; F912-F992 AromaticContact CE2-CZ 3.94Å; F912-F992 HydrophobicContact CE2-CZ 3.94Å; F912-F992 HydrophobicContact CZ-CE2 4.35Å; F912-A995 HydrophobicContact CB-CB 3.9Å; F912-A995 HydrophobicContact CD2-CB 4.46Å; F912-L996 HydrophobicContact CD2-CB 4.27Å; F912-L996 HydrophobicContact CD2-CD1 4.43Å; F912-L996 HydrophobicContact CE2-CB 4.36Å; F912-L996 HydrophobicContact CE2-CD1 4Å; F912-L996 HydrophobicContact CZ-CD1 4.48Å; F912-L999 HydrophobicContact CB-CB 4.41Å; F912-L999 HydrophobicContact CB-CD2 4.38Å; F912-L999 HydrophobicContact CD1-CD2 3.55Å; F912-L999 HydrophobicContact CD2-CD2 4.47Å; F912-L999 HydrophobicContact CE1-CD2 3.87Å; F912-L999 HydrophobicContact CG-CD2 3.89Å; F912-L999 HydrophobicContact CZ-CD2 4.45Å |
| 913 | N | 79.9 | Confident | 77.8 | Confident | 26 Ų | 26 | 50.3 Ų | 50.3 | 14% | 0.139 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.2 | -39.9 | 176.9 | -82.5 | -17.3 | 0 | 0 | 0 | 112.2 | S909 N910 F911 S916 S917 R920 A995 | S909-N913 WeakPolarHBondContact O-CB 3.41Å; S909-N913 PolarHBondContact O-N 3.02Å; S909-N913 PolarHBondContact O-ND2 2.85Å; N910-N913 PolarHBondContact O-N 3.4Å; F911-N913 VanDerWaalsContact C-N 3.33Å; F911-N913 PolarHBondContact O-N 3.46Å; N913-S916 PolarHBondContact O-N 2.92Å; N913-S917 WeakPolarHBondContact O-CA 3.11Å; N913-S917 PolarHBondContact O-N 2.93Å; N913-S917 VanDerWaalsContact O-N 3.08Å; N913-R920 VanDerWaalsContact CB-NH1 3.28Å; N913-R920 VanDerWaalsContact CG-NH1 3.31Å; N913-R920 PolarHBondContact OD1-NH1 2.91Å; N913-A995 VanDerWaalsContact OD1-CB 3.27Å; N913-A995 WeakPolarHBondContact OD1-CB 3.27Å |
| 914 | R | 76.2 | Confident | 78.1 | Confident | 105 Ų | 105 | 50.1 Ų | 50.1 | 40% | 0.396 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 173.5 | -178.7 | 176.4 | 171.9 | 169.3 | -0.6 | 110.6 | N910 F911 S916 S917 E1338 | N910-R914 WeakPolarHBondContact O-CB 3.18Å; N910-R914 PolarHBondContact O-N 2.87Å; F911-R914 PolarHBondContact O-N 3.44Å; R914-S916 VanDerWaalsContact C-N 3.29Å; R914-S916 PolarHBondContact O-N 2.82Å; R914-S917 WeakPolarHBondContact O-CB 3.27Å; R914-S917 PolarHBondContact O-N 2.89Å; R914-S917 PolarHBondContact O-OG 3.36Å; R914-E1338 IonicContact CZ-OE1 2.77Å; R914-E1338 IonicContact CZ-OE2 2.98Å; R914-E1338 IonicContact NE-OE2 3.25Å; R914-E1338 PolarHBondContact NE-OE2 3.33Å; R914-E1338 VanDerWaalsContact NH2-CD 3.28Å; R914-E1338 IonicContact NH2-OE1 3.79Å; R914-E1338 PolarHBondContact NH2-OE1 2.86Å; R914-E1338 IonicContact NH2-OE2 3.66Å; R914-E1338 PolarHBondContact NH2-OE2 3.1Å |
| 915 | W | 76.8 | Confident | 78.3 | Confident | 93 Ų | 93 | 46.7 Ų | 46.7 | 35% | 0.352 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.5 | -26.9 | -179.1 | -163.3 | 7 | 0 | 0 | 0 | 113.8 | F911 F912 L999 L1335 | F911-W915 HydrophobicContact CE1-CE3 4Å; F911-W915 HydrophobicContact CE1-CZ3 4.35Å; F911-W915 HydrophobicContact CZ-CE3 4.42Å; F911-W915 PolarHBondContact O-N 3.46Å; F912-W915 PolarHBondContact O-N 3.29Å; W915-L999 HydrophobicContact CB-CD1 4.07Å; W915-L999 HydrophobicContact CD2-CD1 3.58Å; W915-L999 HydrophobicContact CE3-CD1 3.4Å; W915-L999 VanDerWaalsContact CE3-CD1 3.4Å; W915-L999 HydrophobicContact CE3-CD2 4.26Å; W915-L999 HydrophobicContact CE3-CG 4.45Å; W915-L999 HydrophobicContact CG-CD1 3.89Å; W915-L999 HydrophobicContact CZ3-CD1 4.08Å; W915-L999 HydrophobicContact CZ3-CD2 4.45Å; W915-L1335 HydrophobicContact CH2-CD2 3.77Å; W915-L1335 HydrophobicContact CZ2-CD2 3.81Å; W915-L1335 WeakPolarHBondContact CZ2-O 3.33Å |
| 916 | S | 81.5 | Confident | 78.2 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 14.6 | 178.7 | 61 | 0 | 0 | 0 | 0 | 114 | F912 N913 R914 E918 H919 R920 | F912-S916 WeakPolarHBondContact O-CB 3.38Å; F912-S916 PolarHBondContact O-N 2.82Å; F912-S916 PolarHBondContact O-OG 3.15Å; N913-S916 PolarHBondContact O-N 2.92Å; R914-S916 VanDerWaalsContact C-N 3.29Å; R914-S916 PolarHBondContact O-N 2.82Å; S916-E918 PolarHBondContact O-N 2.96Å; S916-H919 PolarHBondContact O-N 2.9Å; S916-R920 WeakPolarHBondContact O-CG 3.38Å; S916-R920 PolarHBondContact O-N 2.99Å; S916-R920 WeakPolarHBondContact OG-CD 3.35Å |
| 917 | S | 76.1 | Confident | 78.2 | Confident | 48 Ų | 48 | 46.4 Ų | 46.4 | 34% | 0.336 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57.1 | -48.8 | -170.3 | 65 | 0 | 0 | 0 | 0 | 112.8 | N913 R914 H919 R920 Y921 | N913-S917 WeakPolarHBondContact O-CA 3.11Å; N913-S917 PolarHBondContact O-N 2.93Å; N913-S917 VanDerWaalsContact O-N 3.08Å; R914-S917 WeakPolarHBondContact O-CB 3.27Å; R914-S917 PolarHBondContact O-N 2.89Å; R914-S917 PolarHBondContact O-OG 3.36Å; S917-H919 PolarHBondContact O-N 3.22Å; S917-R920 PolarHBondContact O-N 2.98Å; S917-Y921 WeakPolarHBondContact O-CB 3.15Å; S917-Y921 PolarHBondContact O-N 3.19Å |
| 918 | E | 76.1 | Confident | 78.3 | Confident | 78 Ų | 78 | 43.1 Ų | 43.1 | 36% | 0.364 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60 | -45.5 | 179.2 | -81.9 | 152.6 | -123.1 | 0 | 0 | 113.1 | K751 S916 R920 Y921 V922 | K751-E918 WeakPolarHBondContact CE-OE1 3.28Å; K751-E918 VanDerWaalsContact CE-OE2 3.28Å; K751-E918 WeakPolarHBondContact CE-OE2 3.17Å; K751-E918 IonicContact NZ-OE1 2.71Å; K751-E918 PolarHBondContact NZ-OE1 3.41Å; K751-E918 IonicContact NZ-OE2 3.24Å; K751-E918 PolarHBondContact NZ-OE2 2.82Å; S916-E918 PolarHBondContact O-N 2.96Å; E918-R920 VanDerWaalsContact C-N 3.33Å; E918-R920 PolarHBondContact O-N 2.96Å; E918-Y921 PolarHBondContact O-N 2.96Å; E918-V922 WeakPolarHBondContact O-CG2 3.4Å; E918-V922 PolarHBondContact O-N 2.81Å |
| 919 | H | 81.7 | Confident | 78.3 | Confident | 28 Ų | 28 | 42.8 Ų | 42.8 | 13% | 0.13 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.1 | -41.8 | 179.4 | -173.5 | -81.9 | 0 | 0 | 0 | 111 | S916 S917 V922 A923 Y998 V1001 A1002 H1112 | S916-H919 PolarHBondContact O-N 2.9Å; S917-H919 PolarHBondContact O-N 3.22Å; H919-V922 PolarHBondContact O-N 3.41Å; H919-A923 VanDerWaalsContact O-CB 3.28Å; H919-A923 WeakPolarHBondContact O-CB 3.49Å; H919-A923 PolarHBondContact O-N 2.96Å; H919-Y998 AromaticContact ND1-CD1 3.95Å; H919-V1001 VanDerWaalsContact CE1-CG1 3.44Å; H919-V1001 WeakPolarHBondContact CE1-CG1 3.07Å; H919-A1002 HydrophobicContact CB-CB 3.77Å; H919-H1112 AromaticContact CD2-NE2 3.84Å; H919-H1112 AromaticContact CE1-CE1 3.9Å; H919-H1112 AromaticContact CE1-NE2 3.89Å; H919-H1112 AromaticContact NE2-CE1 3.16Å; H919-H1112 PolarHBondContact NE2-CE1 3.44Å; H919-H1112 AromaticContact NE2-NE2 2.95Å; H919-H1112 PolarHBondContact NE2-NE2 3.01Å |
| 920 | R | 79 | Confident | 78.2 | Confident | 12 Ų | 12 | 43.8 Ų | 43.8 | 5% | 0.045 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.7 | -41.3 | 176.6 | -73.2 | 173.2 | 66.9 | -135.3 | 1.3 | 111.7 | N913 S916 S917 E918 A923 C924 V979 Y998 | N913-R920 VanDerWaalsContact CB-NH1 3.28Å; N913-R920 VanDerWaalsContact CG-NH1 3.31Å; N913-R920 PolarHBondContact OD1-NH1 2.91Å; S916-R920 WeakPolarHBondContact O-CG 3.38Å; S916-R920 PolarHBondContact O-N 2.99Å; S916-R920 WeakPolarHBondContact OG-CD 3.35Å; S917-R920 PolarHBondContact O-N 2.98Å; E918-R920 VanDerWaalsContact C-N 3.33Å; E918-R920 PolarHBondContact O-N 2.96Å; R920-A923 PolarHBondContact O-N 2.89Å; R920-C924 VanDerWaalsContact O-CB 3.3Å; R920-C924 WeakPolarHBondContact O-CB 3.18Å; R920-C924 PolarHBondContact O-N 3.4Å; R920-V979 HydrophobicContact CB-CG1 4.24Å; R920-V979 PolarHBondContact NH2-O 3.18Å; R920-Y998 HydrophobicContact CG-CD1 3.68Å; R920-Y998 HydrophobicContact CG-CD2 4.15Å; R920-Y998 HydrophobicContact CG-CE1 4.29Å; R920-Y998 HydrophobicContact CG-CG 3.6Å |
| 921 | Y | 76.7 | Confident | 78.3 | Confident | 17 Ų | 17 | 44.9 Ų | 44.9 | 7% | 0.067 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.1 | -53.6 | 173.4 | 170.2 | -99.5 | 0 | 0 | 0 | 110.8 | L747 S917 E918 A923 C924 V925 L972 M975 | L747-Y921 HydrophobicContact CD1-CD1 4.09Å; L747-Y921 HydrophobicContact CD1-CE1 4.45Å; L747-Y921 HydrophobicContact CD2-CD1 4.45Å; L747-Y921 HydrophobicContact CD2-CE1 4.48Å; S917-Y921 WeakPolarHBondContact O-CB 3.15Å; S917-Y921 PolarHBondContact O-N 3.19Å; E918-Y921 PolarHBondContact O-N 2.96Å; Y921-A923 VanDerWaalsContact C-N 3.33Å; Y921-A923 PolarHBondContact O-N 3.34Å; Y921-C924 PolarHBondContact O-N 3.03Å; Y921-C924 VanDerWaalsContact O-N 3.16Å; Y921-V925 HydrophobicContact CD2-CG2 4.23Å; Y921-V925 HydrophobicContact CE1-CG2 4.17Å; Y921-V925 HydrophobicContact CE2-CG2 3.73Å; Y921-V925 WeakPolarHBondContact O-CG2 3.4Å; Y921-V925 PolarHBondContact O-N 2.93Å; Y921-L972 HydrophobicContact CE1-CD1 4.41Å; Y921-L972 HydrophobicContact CE2-CD1 4.26Å; Y921-L972 HydrophobicContact CE2-CG 3.97Å; Y921-L972 WeakPolarHBondContact OH-CD1 3.21Å; Y921-M975 HydrophobicContact CE2-CB 4.45Å |
| 922 | V | 79.7 | Confident | 78.5 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.024 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58 | -45.5 | 177.3 | 174.6 | 0 | 0 | 0 | 0 | 111 | L743 I744 L747 E918 H919 C924 V925 L926 L1116 | L743-V922 HydrophobicContact CB-CG1 4.48Å; L743-V922 HydrophobicContact CB-CG2 4.28Å; L743-V922 HydrophobicContact CD1-CG1 4.42Å; I744-V922 HydrophobicContact CG1-CG1 4.36Å; I744-V922 HydrophobicContact CG1-CG2 4.14Å; L747-V922 HydrophobicContact CD1-CG2 3.52Å; E918-V922 WeakPolarHBondContact O-CG2 3.4Å; E918-V922 PolarHBondContact O-N 2.81Å; H919-V922 PolarHBondContact O-N 3.41Å; V922-C924 VanDerWaalsContact C-N 3.34Å; V922-C924 PolarHBondContact O-N 2.99Å; V922-V925 PolarHBondContact O-N 3.43Å; V922-L926 HydrophobicContact CG1-CD1 3.75Å; V922-L926 HydrophobicContact CG1-CG 4.23Å; V922-L926 WeakPolarHBondContact O-CB 3.26Å; V922-L926 WeakPolarHBondContact O-CG 3.49Å; V922-L926 PolarHBondContact O-N 3.46Å; V922-L1116 HydrophobicContact CG1-CD2 4.38Å |
| 923 | A | 79 | Confident | 78.1 | Confident | 28 Ų | 28 | 43.4 Ų | 43.4 | 23% | 0.231 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.1 | -38.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | H919 R920 Y921 A927 Y998 | H919-A923 VanDerWaalsContact O-CB 3.28Å; H919-A923 WeakPolarHBondContact O-CB 3.49Å; H919-A923 PolarHBondContact O-N 2.96Å; R920-A923 PolarHBondContact O-N 2.89Å; Y921-A923 VanDerWaalsContact C-N 3.33Å; Y921-A923 PolarHBondContact O-N 3.34Å; A923-A927 VanDerWaalsContact O-CB 3.25Å; A923-A927 WeakPolarHBondContact O-CB 3.29Å; A923-A927 PolarHBondContact O-N 3.33Å; A923-Y998 HydrophobicContact CB-CE1 4.18Å |
| 924 | C | 76.9 | Confident | 78 | Confident | 54 Ų | 54 | 43 Ų | 43 | 37% | 0.365 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -69.2 | -46.9 | 178.2 | -171.5 | 0 | 0 | 0 | 0 | 111.7 | R920 Y921 V922 L926 A927 D928 V979 | R920-C924 VanDerWaalsContact O-CB 3.3Å; R920-C924 WeakPolarHBondContact O-CB 3.18Å; R920-C924 PolarHBondContact O-N 3.4Å; Y921-C924 PolarHBondContact O-N 3.03Å; Y921-C924 VanDerWaalsContact O-N 3.16Å; V922-C924 VanDerWaalsContact C-N 3.34Å; V922-C924 PolarHBondContact O-N 2.99Å; C924-L926 VanDerWaalsContact C-N 3.35Å; C924-L926 PolarHBondContact O-N 3.44Å; C924-A927 PolarHBondContact O-N 3.23Å; C924-A927 VanDerWaalsContact O-N 3.17Å; C924-D928 PolarHBondContact O-N 3.36Å; C924-V979 HydrophobicContact CB-CG2 3.39Å; C924-V979 WeakPolarHBondContact SG-CG2 3.45Å |
| 925 | V | 76.8 | Confident | 78 | Confident | 8 Ų | 8 | 42.4 Ų | 42.4 | 5% | 0.048 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.6 | -48.3 | 175.9 | 174.6 | 0 | 0 | 0 | 0 | 110.4 | L743 Y921 V922 A927 D928 E929 M975 | L743-V925 HydrophobicContact CD1-CB 4.25Å; L743-V925 HydrophobicContact CD1-CG1 3.8Å; Y921-V925 HydrophobicContact CD2-CG2 4.23Å; Y921-V925 HydrophobicContact CE1-CG2 4.17Å; Y921-V925 HydrophobicContact CE2-CG2 3.73Å; Y921-V925 WeakPolarHBondContact O-CG2 3.4Å; Y921-V925 PolarHBondContact O-N 2.93Å; V922-V925 PolarHBondContact O-N 3.43Å; V925-A927 VanDerWaalsContact C-N 3.31Å; V925-A927 PolarHBondContact O-N 2.84Å; V925-D928 PolarHBondContact O-N 3.23Å; V925-E929 HydrophobicContact CG1-CG 4.31Å; V925-E929 WeakPolarHBondContact O-CB 3.46Å; V925-E929 WeakPolarHBondContact O-CG 3.44Å; V925-E929 PolarHBondContact O-N 3.09Å; V925-M975 HydrophobicContact CG2-SD 4.01Å |
| 926 | L | 79.6 | Confident | 77.9 | Confident | 23 Ų | 23 | 40.5 Ų | 40.5 | 12% | 0.12 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.3 | -37.8 | 177.3 | -69.8 | 176.2 | 0 | 0 | 0 | 112.1 | F736 R739 L743 V922 C924 K930 L1116 | F736-L926 HydrophobicContact CB-CD2 4.19Å; F736-L926 HydrophobicContact CD1-CD2 4.39Å; R739-L926 HydrophobicContact CB-CD2 4.28Å; R739-L926 HydrophobicContact CG-CD2 4.07Å; L743-L926 HydrophobicContact CD1-CD2 4.24Å; L743-L926 HydrophobicContact CD1-CG 4.39Å; V922-L926 HydrophobicContact CG1-CD1 3.75Å; V922-L926 HydrophobicContact CG1-CG 4.23Å; V922-L926 WeakPolarHBondContact O-CB 3.26Å; V922-L926 WeakPolarHBondContact O-CG 3.49Å; V922-L926 PolarHBondContact O-N 3.46Å; C924-L926 VanDerWaalsContact C-N 3.35Å; C924-L926 PolarHBondContact O-N 3.44Å; L926-K930 WeakPolarHBondContact O-CB 3.46Å; L926-K930 PolarHBondContact O-N 3.46Å; L926-L1116 HydrophobicContact CD1-CD2 4.27Å |
| 927 | A | 77.9 | Confident | 77.5 | Confident | 56 Ų | 56 | 40.9 Ų | 40.9 | 46% | 0.463 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.2 | -41.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A923 C924 V925 R931 | A923-A927 VanDerWaalsContact O-CB 3.25Å; A923-A927 WeakPolarHBondContact O-CB 3.29Å; A923-A927 PolarHBondContact O-N 3.33Å; C924-A927 PolarHBondContact O-N 3.23Å; C924-A927 VanDerWaalsContact O-N 3.17Å; V925-A927 VanDerWaalsContact C-N 3.31Å; V925-A927 PolarHBondContact O-N 2.84Å; A927-R931 WeakPolarHBondContact O-CB 3.3Å; A927-R931 PolarHBondContact O-N 3.34Å |
| 928 | D | 76.6 | Confident | 77.2 | Confident | 58 Ų | 58 | 39.4 Ų | 39.4 | 31% | 0.31 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -69.4 | -46.6 | 177.8 | -171.9 | 45.8 | 0 | 0 | 0 | 112.1 | C924 V925 K930 R931 K932 | C924-D928 PolarHBondContact O-N 3.36Å; V925-D928 PolarHBondContact O-N 3.23Å; D928-K930 VanDerWaalsContact C-N 3.31Å; D928-K930 PolarHBondContact O-N 2.73Å; D928-R931 WeakPolarHBondContact O-CB 3.42Å; D928-R931 PolarHBondContact O-N 2.89Å; D928-K932 WeakPolarHBondContact O-CG 3.13Å; D928-K932 PolarHBondContact O-N 2.96Å; D928-K932 WeakPolarHBondContact OD2-CE 3.47Å; D928-K932 IonicContact OD2-NZ 3.11Å; D928-K932 PolarHBondContact OD2-NZ 3.34Å |
| 929 | E | 77.3 | Confident | 76.7 | Confident | 18 Ų | 18 | 42.3 Ų | 42.3 | 8% | 0.084 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.1 | -40.6 | 175.5 | -70.8 | -178.2 | 171.1 | 0 | 0 | 111.6 | F736 R739 V925 R931 K932 L933 | F736-E929 HydrophobicContact CD1-CB 4.35Å; F736-E929 HydrophobicContact CE1-CB 3.57Å; F736-E929 HydrophobicContact CZ-CB 3.89Å; F736-E929 WeakPolarHBondContact CZ-O 3.31Å; R739-E929 WeakPolarHBondContact CG-OE2 3.47Å; R739-E929 IonicContact CZ-OE1 3.02Å; R739-E929 IonicContact NE-OE1 3.29Å; R739-E929 PolarHBondContact NE-OE1 3.3Å; R739-E929 VanDerWaalsContact NE-OE1 3.11Å; R739-E929 IonicContact NE-OE2 3.24Å; R739-E929 PolarHBondContact NE-OE2 3.44Å; R739-E929 IonicContact NH2-OE1 3.1Å; R739-E929 PolarHBondContact NH2-OE1 3.11Å; V925-E929 HydrophobicContact CG1-CG 4.31Å; V925-E929 WeakPolarHBondContact O-CB 3.46Å; V925-E929 WeakPolarHBondContact O-CG 3.44Å; V925-E929 PolarHBondContact O-N 3.09Å; E929-R931 PolarHBondContact O-N 3.05Å; E929-K932 WeakPolarHBondContact O-CB 3.49Å; E929-K932 PolarHBondContact O-N 3.4Å; E929-L933 PolarHBondContact O-N 3.26Å |
| 930 | K | 79.6 | Confident | 76 | Confident | 22 Ų | 22 | 44.9 Ų | 44.9 | 10% | 0.096 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.2 | -40.1 | 174.5 | -174.1 | -174.9 | -156.6 | 174 | 0 | 113.1 | E729 A732 E733 F736 L926 D928 K932 L933 K934 | E729-K930 WeakPolarHBondContact O-CE 3.41Å; E729-K930 PolarHBondContact O-NZ 2.97Å; E729-K930 WeakPolarHBondContact OE1-CE 3.4Å; E729-K930 IonicContact OE1-NZ 3.34Å; E729-K930 PolarHBondContact OE1-NZ 3.32Å; E729-K930 WeakPolarHBondContact OE2-CE 2.98Å; E729-K930 IonicContact OE2-NZ 2.84Å; E729-K930 PolarHBondContact OE2-NZ 3.07Å; E729-K930 VanDerWaalsContact OE2-NZ 3.11Å; A732-K930 HydrophobicContact CB-CD 4.38Å; A732-K930 HydrophobicContact CB-CG 3.86Å; E733-K930 IonicContact OE1-NZ 2.92Å; E733-K930 PolarHBondContact OE1-NZ 3Å; F736-K930 HydrophobicContact CD2-CB 4.08Å; F736-K930 HydrophobicContact CD2-CG 4.33Å; F736-K930 VanDerWaalsContact CE2-CA 3.44Å; F736-K930 HydrophobicContact CE2-CB 3.97Å; F736-K930 HydrophobicContact CE2-CG 4.37Å; L926-K930 WeakPolarHBondContact O-CB 3.46Å; L926-K930 PolarHBondContact O-N 3.46Å; D928-K930 VanDerWaalsContact C-N 3.31Å; D928-K930 PolarHBondContact O-N 2.73Å; K930-K932 VanDerWaalsContact C-N 3.34Å; K930-L933 PolarHBondContact O-N 2.99Å; K930-K934 WeakPolarHBondContact O-CG 3.45Å; K930-K934 PolarHBondContact O-N 3.01Å |
| 931 | R | 78.1 | Confident | 75.4 | Confident | 121 Ų | 121 | 44.3 Ų | 44.3 | 46% | 0.457 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.9 | -43.6 | 174.7 | 175.2 | 172.9 | 174.6 | -176.2 | -7.8 | 110.9 | T564 H565 A927 D928 E929 K934 A935 | T564-R931 HydrophobicContact CG2-CB 3.78Å; T564-R931 HydrophobicContact CG2-CG 3.57Å; H565-R931 PolarHBondContact CE1-NE 3.25Å; H565-R931 PolarHBondContact CE1-NH2 2.71Å; A927-R931 WeakPolarHBondContact O-CB 3.3Å; A927-R931 PolarHBondContact O-N 3.34Å; D928-R931 WeakPolarHBondContact O-CB 3.42Å; D928-R931 PolarHBondContact O-N 2.89Å; E929-R931 PolarHBondContact O-N 3.05Å; R931-K934 PolarHBondContact O-N 3.39Å; R931-A935 WeakPolarHBondContact O-CB 3.47Å; R931-A935 PolarHBondContact O-N 3.34Å; R931-A935 VanDerWaalsContact O-N 3.08Å |
| 932 | K | 78.9 | Confident | 74.9 | Confident | 111 Ų | 111 | 46.4 Ų | 46.4 | 48% | 0.483 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 174.9 | -68.4 | 170.1 | -171.5 | 161.4 | 0 | 111.7 | D928 E929 K930 K934 A935 S936 | D928-K932 WeakPolarHBondContact O-CG 3.13Å; D928-K932 PolarHBondContact O-N 2.96Å; D928-K932 WeakPolarHBondContact OD2-CE 3.47Å; D928-K932 IonicContact OD2-NZ 3.11Å; D928-K932 PolarHBondContact OD2-NZ 3.34Å; E929-K932 WeakPolarHBondContact O-CB 3.49Å; E929-K932 PolarHBondContact O-N 3.4Å; K930-K932 VanDerWaalsContact C-N 3.34Å; K932-K934 PolarHBondContact O-N 3Å; K932-A935 PolarHBondContact O-N 3.31Å; K932-S936 PolarHBondContact O-N 3.07Å; K932-S936 VanDerWaalsContact O-N 3.11Å; K932-S936 PolarHBondContact O-OG 3.43Å |
| 933 | L | 75.9 | Confident | 74 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 177.9 | -176 | 76 | 0 | 0 | 0 | 112.2 | A732 I735 F736 E929 K930 A935 S936 L937 L941 I963 | A732-L933 HydrophobicContact CB-CD2 4.34Å; I735-L933 HydrophobicContact CD1-CD2 3.93Å; F736-L933 HydrophobicContact CD2-CD2 4.19Å; F736-L933 HydrophobicContact CE2-CB 3.67Å; F736-L933 HydrophobicContact CE2-CD2 3.39Å; F736-L933 HydrophobicContact CE2-CG 4.09Å; F736-L933 HydrophobicContact CZ-CB 3.8Å; F736-L933 HydrophobicContact CZ-CD2 4.06Å; F736-L933 HydrophobicContact CZ-CG 4.4Å; E929-L933 PolarHBondContact O-N 3.26Å; K930-L933 PolarHBondContact O-N 2.99Å; L933-A935 VanDerWaalsContact C-N 3.3Å; L933-A935 PolarHBondContact O-N 3.17Å; L933-S936 PolarHBondContact O-N 3.43Å; L933-S936 PolarHBondContact O-OG 2.97Å; L933-L937 HydrophobicContact CD1-CB 4.33Å; L933-L937 HydrophobicContact CD1-CD1 4.28Å; L933-L937 HydrophobicContact CD1-CD2 4.31Å; L933-L937 PolarHBondContact O-N 3.38Å; L933-L941 HydrophobicContact CD2-CD1 4.48Å; L933-L941 HydrophobicContact CD2-CD2 4.39Å; L933-I963 HydrophobicContact CD1-CD1 4.36Å |
| 934 | K | 77.8 | Confident | 73 | Confident | 18 Ų | 18 | 55.4 Ų | 55.4 | 8% | 0.078 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.7 | -36.2 | 178.7 | -75.2 | 179.2 | 173.2 | -162.9 | 0 | 112.5 | D561 T564 V728 E729 K930 R931 K932 S936 G938 | D561-K934 IonicContact OD2-NZ 3.74Å; T564-K934 WeakPolarHBondContact OG1-CD 3.44Å; T564-K934 PolarHBondContact OG1-NZ 3.31Å; V728-K934 HydrophobicContact CG1-CG 4.36Å; E729-K934 WeakPolarHBondContact OE2-CE 3.43Å; E729-K934 IonicContact OE2-NZ 3.87Å; E729-K934 PolarHBondContact OE2-NZ 3.07Å; K930-K934 WeakPolarHBondContact O-CG 3.45Å; K930-K934 PolarHBondContact O-N 3.01Å; R931-K934 PolarHBondContact O-N 3.39Å; K932-K934 PolarHBondContact O-N 3Å; K934-S936 VanDerWaalsContact C-N 3.33Å; K934-G938 VanDerWaalsContact O-CA 3.23Å; K934-G938 WeakPolarHBondContact O-CA 3.25Å; K934-G938 PolarHBondContact O-N 3.44Å; K934-G938 VanDerWaalsContact O-N 3.11Å |
| 935 | A | 76.7 | Confident | 72 | Confident | 92 Ų | 92 | 54.5 Ų | 54.5 | 76% | 0.76 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -66.5 | -35.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R931 K932 L933 | R931-A935 WeakPolarHBondContact O-CB 3.47Å; R931-A935 PolarHBondContact O-N 3.34Å; R931-A935 VanDerWaalsContact O-N 3.08Å; K932-A935 PolarHBondContact O-N 3.31Å; L933-A935 VanDerWaalsContact C-N 3.3Å; L933-A935 PolarHBondContact O-N 3.17Å |
| 936 | S | 74.7 | Confident | 71.1 | Confident | 53 Ų | 53 | 59 Ų | 59 | 37% | 0.371 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -91.3 | -45.7 | -177.9 | 62.1 | 0 | 0 | 0 | 0 | 114.7 | K932 L933 K934 I959 | K932-S936 PolarHBondContact O-N 3.07Å; K932-S936 VanDerWaalsContact O-N 3.11Å; K932-S936 PolarHBondContact O-OG 3.43Å; L933-S936 PolarHBondContact O-N 3.43Å; L933-S936 PolarHBondContact O-OG 2.97Å; K934-S936 VanDerWaalsContact C-N 3.33Å; S936-I959 WeakPolarHBondContact OG-CD1 3.45Å |
| 937 | L | 73.1 | Confident | 69.9 | Low | 10 Ų | 10 | 59.7 Ų | 59.7 | 5% | 0.052 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -106.9 | 14 | -174.1 | -87.8 | 81.2 | 0 | 0 | 0 | 113 | L933 K939 E940 L941 V953 V954 | L933-L937 HydrophobicContact CD1-CB 4.33Å; L933-L937 HydrophobicContact CD1-CD1 4.28Å; L933-L937 HydrophobicContact CD1-CD2 4.31Å; L933-L937 PolarHBondContact O-N 3.38Å; L937-K939 VanDerWaalsContact C-N 3.26Å; L937-K939 PolarHBondContact O-N 3.08Å; L937-K939 VanDerWaalsContact O-N 3.13Å; L937-E940 WeakPolarHBondContact CD2-OE2 3.36Å; L937-E940 VanDerWaalsContact CG-OE2 3.28Å; L937-E940 WeakPolarHBondContact CG-OE2 3.21Å; L937-E940 PolarHBondContact O-N 3.31Å; L937-L941 HydrophobicContact CB-CD1 3.62Å; L937-L941 VanDerWaalsContact O-CD1 3.22Å; L937-L941 WeakPolarHBondContact O-CD1 3.26Å; L937-L941 PolarHBondContact O-N 3.2Å; L937-V953 HydrophobicContact CD2-CG1 3.99Å; L937-V954 HydrophobicContact CD2-CG2 4.3Å |
| 938 | G | 69 | Low | 68.9 | Low | 17 Ų | 17 | 63.2 Ų | 63.2 | 18% | 0.175 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -47.5 | -48.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K934 E940 L941 Y942 | K934-G938 VanDerWaalsContact O-CA 3.23Å; K934-G938 WeakPolarHBondContact O-CA 3.25Å; K934-G938 PolarHBondContact O-N 3.44Å; K934-G938 VanDerWaalsContact O-N 3.11Å; G938-E940 VanDerWaalsContact C-N 3.32Å; G938-E940 PolarHBondContact O-N 3.15Å; G938-L941 PolarHBondContact O-N 3.47Å; G938-Y942 WeakPolarHBondContact O-CD2 3.43Å; G938-Y942 PolarHBondContact O-N 3.05Å |
| 939 | K | 65.1 | Low | 68.4 | Low | 139 Ų | 139 | 65.8 Ų | 65.8 | 60% | 0.604 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.7 | -38.5 | -179.1 | -154.9 | 176.5 | -175.3 | -178.6 | 0 | 113 | L937 T943 | L937-K939 VanDerWaalsContact C-N 3.26Å; L937-K939 PolarHBondContact O-N 3.08Å; L937-K939 VanDerWaalsContact O-N 3.13Å; K939-T943 PolarHBondContact O-N 3.12Å; K939-T943 PolarHBondContact O-OG1 3.31Å |
| 940 | E | 68.1 | Low | 67.6 | Low | 81 Ų | 81 | 65.1 Ų | 65.1 | 38% | 0.379 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -78.6 | -34.8 | -179.2 | -65 | 174.6 | 171.9 | 0 | 0 | 112.6 | L937 G938 Y942 T943 V953 | L937-E940 WeakPolarHBondContact CD2-OE2 3.36Å; L937-E940 VanDerWaalsContact CG-OE2 3.28Å; L937-E940 WeakPolarHBondContact CG-OE2 3.21Å; L937-E940 PolarHBondContact O-N 3.31Å; G938-E940 VanDerWaalsContact C-N 3.32Å; G938-E940 PolarHBondContact O-N 3.15Å; E940-Y942 PolarHBondContact O-N 3.27Å; E940-T943 WeakPolarHBondContact CA-OG1 3.4Å; E940-T943 PolarHBondContact O-N 3.32Å; E940-T943 PolarHBondContact O-OG1 3.39Å; E940-V953 WeakPolarHBondContact OE2-CG1 3.48Å |
| 941 | L | 67.2 | Low | 66.8 | Low | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.7 | -29.7 | 172.8 | -88.1 | 77.7 | 0 | 0 | 0 | 111.8 | V728 K731 A732 L933 L937 G938 L950 | V728-L941 HydrophobicContact CG1-CB 4.04Å; V728-L941 HydrophobicContact CG1-CD2 3.86Å; V728-L941 HydrophobicContact CG2-CB 4.41Å; K731-L941 VanDerWaalsContact CD-O 3.31Å; K731-L941 WeakPolarHBondContact CD-O 3.18Å; K731-L941 PolarHBondContact NZ-O 3.25Å; A732-L941 HydrophobicContact CB-CD2 3.96Å; L933-L941 HydrophobicContact CD2-CD1 4.48Å; L933-L941 HydrophobicContact CD2-CD2 4.39Å; L937-L941 HydrophobicContact CB-CD1 3.62Å; L937-L941 VanDerWaalsContact O-CD1 3.22Å; L937-L941 WeakPolarHBondContact O-CD1 3.26Å; L937-L941 PolarHBondContact O-N 3.2Å; G938-L941 PolarHBondContact O-N 3.47Å; L941-L950 HydrophobicContact CD1-CD1 4.5Å; L941-L950 HydrophobicContact CG-CD1 4.49Å |
| 942 | Y | 64.2 | Low | 66.2 | Low | 60 Ų | 60 | 65.4 Ų | 65.4 | 24% | 0.235 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -75.7 | -37 | 175.4 | -85.3 | -75.2 | 0 | 0 | 0 | 113.1 | W554 K724 H725 V728 G938 E940 | W554-Y942 HydrophobicContact CH2-CD1 4.01Å; W554-Y942 HydrophobicContact CH2-CD2 4.5Å; W554-Y942 HydrophobicContact CH2-CE1 4.41Å; W554-Y942 HydrophobicContact CH2-CG 4.08Å; W554-Y942 HydrophobicContact CZ3-CD1 4.41Å; W554-Y942 HydrophobicContact CZ3-CD2 4.34Å; W554-Y942 HydrophobicContact CZ3-CE1 4.47Å; W554-Y942 HydrophobicContact CZ3-CE2 4.49Å; W554-Y942 HydrophobicContact CZ3-CG 4.36Å; K724-Y942 HydrophobicContact CB-CE1 3.86Å; K724-Y942 HydrophobicContact CD-CE1 4.4Å; H725-Y942 PolarHBondContact CE1-OH 2.82Å; H725-Y942 PolarHBondContact ND1-OH 2.83Å; V728-Y942 HydrophobicContact CG2-CD1 3.75Å; V728-Y942 HydrophobicContact CG2-CD2 3.92Å; V728-Y942 HydrophobicContact CG2-CE1 3.62Å; V728-Y942 HydrophobicContact CG2-CE2 3.73Å; V728-Y942 HydrophobicContact CG2-CG 3.88Å; G938-Y942 WeakPolarHBondContact O-CD2 3.43Å; G938-Y942 PolarHBondContact O-N 3.05Å; E940-Y942 PolarHBondContact O-N 3.27Å |
| 943 | T | 62.3 | Low | 65.6 | Low | 75 Ų | 75 | 61.9 Ų | 61.9 | 46% | 0.46 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -74 | 150.3 | 176.4 | 52.1 | 0 | 0 | 0 | 0 | 110.5 | K731 K939 E940 L945 | K731-T943 PolarHBondContact NZ-O 3.01Å; K939-T943 PolarHBondContact O-N 3.12Å; K939-T943 PolarHBondContact O-OG1 3.31Å; E940-T943 WeakPolarHBondContact CA-OG1 3.4Å; E940-T943 PolarHBondContact O-N 3.32Å; E940-T943 PolarHBondContact O-OG1 3.39Å; T943-L945 PolarHBondContact O-N 2.97Å |
| 944 | H | 56.8 | Low | 65 | Low | 146 Ų | 146 | 62.2 Ų | 62.2 | 68% | 0.676 | 34% | 0.338 | S | S | * | . | trans | -73.6 | 62.4 | -166.3 | -85.9 | -72.3 | 0 | 0 | 0 | 113.1 | ||||
| 945 | L | 56.1 | Low | 64.4 | Low | 36 Ų | 36 | 63.8 Ų | 63.8 | 19% | 0.188 | 35% | 0.348 | C | S | . | . | trans | -81.8 | 123.8 | 164.9 | -72.9 | 91.6 | 0 | 0 | 0 | 108.8 | T943 Q949 L950 V953 | T943-L945 PolarHBondContact O-N 2.97Å; L945-Q949 HydrophobicContact CB-CB 4.12Å; L945-Q949 HydrophobicContact CD2-CB 3.84Å; L945-Q949 HydrophobicContact CG-CB 4.21Å; L945-L950 HydrophobicContact CB-CB 4.15Å; L945-L950 HydrophobicContact CB-CD1 4Å; L945-V953 HydrophobicContact CD2-CB 4.43Å; L945-V953 HydrophobicContact CD2-CG2 3.56Å | ||
| 946 | D | 58.1 | Low | 63.9 | Low | 103 Ų | 103 | 69.6 Ų | 69.6 | 55% | 0.551 | 35% | 0.35 | S | S | * | . | trans | -56.9 | 152.6 | 161.5 | -79.6 | -33.1 | 0 | 0 | 0 | 108.6 | D948 Q949 L950 | D946-D948 PolarHBondContact O-N 3.36Å; D946-Q949 PolarHBondContact O-N 3.23Å; D946-L950 PolarHBondContact O-N 3.32Å | ||
| 947 | A | 54.1 | Low | 63.3 | Low | 37 Ų | 37 | 68.1 Ų | 68.1 | 31% | 0.306 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -52.7 | -32.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q951 | A947-Q951 PolarHBondContact O-N 3.17Å; A947-Q951 VanDerWaalsContact O-N 3.13Å |
| 948 | D | 58.3 | Low | 62.7 | Low | 130 Ų | 130 | 74 Ų | 74 | 70% | 0.695 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -70.6 | -44.3 | 178.9 | -57.9 | -20.9 | 0 | 0 | 0 | 112 | D946 L950 Q951 D952 | D946-D948 PolarHBondContact O-N 3.36Å; D948-L950 VanDerWaalsContact C-N 3.29Å; D948-L950 PolarHBondContact O-N 3.24Å; D948-Q951 WeakPolarHBondContact O-CB 3.39Å; D948-Q951 PolarHBondContact O-N 3.15Å; D948-D952 PolarHBondContact O-N 3.29Å |
| 949 | Q | 64.3 | Low | 62.1 | Low | 111 Ų | 111 | 75.9 Ų | 75.9 | 52% | 0.519 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.8 | -32.3 | 176.7 | -62.3 | -165.6 | -36.8 | 0 | 0 | 111.9 | L945 D946 Q951 D952 V953 | L945-Q949 HydrophobicContact CB-CB 4.12Å; L945-Q949 HydrophobicContact CD2-CB 3.84Å; L945-Q949 HydrophobicContact CG-CB 4.21Å; D946-Q949 PolarHBondContact O-N 3.23Å; Q949-Q951 VanDerWaalsContact C-N 3.34Å; Q949-D952 PolarHBondContact O-N 3.49Å; Q949-V953 WeakPolarHBondContact O-CG2 3.48Å; Q949-V953 PolarHBondContact O-N 3.22Å; Q949-V953 VanDerWaalsContact O-N 3.15Å |
| 950 | L | 62.1 | Low | 61.8 | Low | 4 Ų | 4 | 69.3 Ų | 69.3 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.6 | -37.3 | 176.7 | -162.2 | 78.2 | 0 | 0 | 0 | 111.1 | I735 L941 L945 D946 D948 D952 V953 V954 | I735-L950 HydrophobicContact CD1-CD2 3.23Å; I735-L950 HydrophobicContact CD1-CG 3.93Å; I735-L950 HydrophobicContact CG1-CD2 3.74Å; L941-L950 HydrophobicContact CD1-CD1 4.5Å; L941-L950 HydrophobicContact CG-CD1 4.49Å; L945-L950 HydrophobicContact CB-CB 4.15Å; L945-L950 HydrophobicContact CB-CD1 4Å; D946-L950 PolarHBondContact O-N 3.32Å; D948-L950 VanDerWaalsContact C-N 3.29Å; D948-L950 PolarHBondContact O-N 3.24Å; L950-D952 VanDerWaalsContact C-N 3.34Å; L950-V953 PolarHBondContact O-N 3.41Å; L950-V954 VanDerWaalsContact O-CG2 3.3Å; L950-V954 WeakPolarHBondContact O-CG2 3.3Å; L950-V954 PolarHBondContact O-N 3.02Å |
| 951 | Q | 62.5 | Low | 61.2 | Low | 58 Ų | 58 | 69.8 Ų | 69.8 | 27% | 0.271 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 175.7 | -164.2 | 71.8 | 5.1 | 0 | 0 | 111.5 | A947 D948 Q949 V953 V954 N955 | A947-Q951 PolarHBondContact O-N 3.17Å; A947-Q951 VanDerWaalsContact O-N 3.13Å; D948-Q951 WeakPolarHBondContact O-CB 3.39Å; D948-Q951 PolarHBondContact O-N 3.15Å; Q949-Q951 VanDerWaalsContact C-N 3.34Å; Q951-V953 PolarHBondContact O-N 3.29Å; Q951-V954 PolarHBondContact O-N 3.09Å; Q951-N955 WeakPolarHBondContact O-CB 3.41Å; Q951-N955 VanDerWaalsContact O-CG 3.28Å; Q951-N955 PolarHBondContact O-N 2.94Å |
| 952 | D | 66.2 | Low | 60.7 | Low | 91 Ų | 91 | 77.9 Ų | 77.9 | 49% | 0.487 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 174.7 | -76.2 | -17 | 0 | 0 | 0 | 112.3 | D948 Q949 L950 N955 R956 | D948-D952 PolarHBondContact O-N 3.29Å; Q949-D952 PolarHBondContact O-N 3.49Å; L950-D952 VanDerWaalsContact C-N 3.34Å; D952-N955 PolarHBondContact O-N 2.93Å; D952-R956 WeakPolarHBondContact O-CG 3.21Å; D952-R956 PolarHBondContact O-N 3.37Å; D952-R956 VanDerWaalsContact O-N 3.11Å |
| 953 | V | 65 | Low | 60.4 | Low | 38 Ų | 38 | 76 Ų | 76 | 23% | 0.23 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -67.2 | -41.5 | 177.3 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | L937 E940 L945 Q949 L950 Q951 N955 R956 S957 | L937-V953 HydrophobicContact CD2-CG1 3.99Å; E940-V953 WeakPolarHBondContact OE2-CG1 3.48Å; L945-V953 HydrophobicContact CD2-CB 4.43Å; L945-V953 HydrophobicContact CD2-CG2 3.56Å; Q949-V953 WeakPolarHBondContact O-CG2 3.48Å; Q949-V953 PolarHBondContact O-N 3.22Å; Q949-V953 VanDerWaalsContact O-N 3.15Å; L950-V953 PolarHBondContact O-N 3.41Å; Q951-V953 PolarHBondContact O-N 3.29Å; V953-N955 PolarHBondContact O-N 3.43Å; V953-R956 PolarHBondContact O-N 3.27Å; V953-S957 PolarHBondContact O-N 3.39Å; V953-S957 VanDerWaalsContact O-N 3.08Å |
| 954 | V | 64 | Low | 60 | Low | 6 Ų | 6 | 77 Ų | 77 | 4% | 0.036 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.7 | -46 | 174.8 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | I735 L937 L950 Q951 R956 S957 G960 | I735-V954 HydrophobicContact CD1-CG2 4.33Å; I735-V954 HydrophobicContact CG2-CG1 4.49Å; I735-V954 HydrophobicContact CG2-CG2 4.2Å; L937-V954 HydrophobicContact CD2-CG2 4.3Å; L950-V954 VanDerWaalsContact O-CG2 3.3Å; L950-V954 WeakPolarHBondContact O-CG2 3.3Å; L950-V954 PolarHBondContact O-N 3.02Å; Q951-V954 PolarHBondContact O-N 3.09Å; V954-R956 VanDerWaalsContact C-N 3.27Å; V954-R956 PolarHBondContact O-N 3.39Å; V954-S957 PolarHBondContact O-N 2.96Å; V954-S957 VanDerWaalsContact O-N 3.17Å; V954-S957 PolarHBondContact O-OG 2.9Å; V954-G960 WeakPolarHBondContact O-CA 3.37Å |
| 955 | N | 63.9 | Low | 59.7 | Low | 52 Ų | 52 | 76 Ų | 76 | 28% | 0.278 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.2 | -31.2 | 178.4 | -74 | -13.2 | 0 | 0 | 0 | 113.3 | Q951 D952 V953 | Q951-N955 WeakPolarHBondContact O-CB 3.41Å; Q951-N955 VanDerWaalsContact O-CG 3.28Å; Q951-N955 PolarHBondContact O-N 2.94Å; D952-N955 PolarHBondContact O-N 2.93Å; V953-N955 PolarHBondContact O-N 3.43Å |
| 956 | R | 66.3 | Low | 59.5 | Low | 214 Ų | 214 | 76.7 Ų | 76.7 | 81% | 0.808 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -80.7 | -21.8 | 176.8 | -72.3 | 178.6 | -170.9 | -160.2 | 3 | 113.9 | D952 V953 V954 | D952-R956 WeakPolarHBondContact O-CG 3.21Å; D952-R956 PolarHBondContact O-N 3.37Å; D952-R956 VanDerWaalsContact O-N 3.11Å; V953-R956 PolarHBondContact O-N 3.27Å; V954-R956 VanDerWaalsContact C-N 3.27Å; V954-R956 PolarHBondContact O-N 3.39Å |
| 957 | S | 63.9 | Low | 59.1 | Low | 21 Ų | 21 | 75.4 Ų | 75.4 | 15% | 0.147 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -77.9 | 136.5 | -178.9 | 73.7 | 0 | 0 | 0 | 0 | 111.4 | V953 V954 I959 G960 Q961 | V953-S957 PolarHBondContact O-N 3.39Å; V953-S957 VanDerWaalsContact O-N 3.08Å; V954-S957 PolarHBondContact O-N 2.96Å; V954-S957 VanDerWaalsContact O-N 3.17Å; V954-S957 PolarHBondContact O-OG 2.9Å; S957-I959 PolarHBondContact O-N 3.47Å; S957-G960 PolarHBondContact O-N 3.28Å; S957-G960 PolarHBondContact OG-N 3.27Å; S957-Q961 PolarHBondContact O-N 3.46Å |
| 958 | E | 59.4 | Low | 59.2 | Low | 133 Ų | 133 | 77.5 Ų | 77.5 | 62% | 0.621 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -53.4 | -28 | 173.4 | -72.7 | -172.9 | -176.8 | 0 | 0 | 112.5 | Q961 R962 | E958-Q961 PolarHBondContact O-N 2.92Å; E958-R962 WeakPolarHBondContact O-CG 2.99Å; E958-R962 PolarHBondContact O-N 3.04Å; E958-R962 VanDerWaalsContact O-N 3.12Å; E958-R962 IonicContact OE2-NH2 3.75Å; E958-R962 PolarHBondContact OE2-NH2 2.98Å |
| 959 | I | 57.3 | Low | 59 | Low | 58 Ų | 58 | 79.1 Ų | 79.1 | 30% | 0.297 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -77.1 | -38.3 | -177.5 | -60.3 | 167.9 | 0 | 0 | 0 | 110.3 | S936 S957 Q961 R962 I963 | S936-I959 WeakPolarHBondContact OG-CD1 3.45Å; S957-I959 PolarHBondContact O-N 3.47Å; I959-Q961 PolarHBondContact O-N 3.22Å; I959-R962 PolarHBondContact O-N 3.46Å; I959-R962 VanDerWaalsContact O-N 3.14Å; I959-I963 HydrophobicContact CG2-CD1 3.84Å; I959-I963 HydrophobicContact CG2-CG1 4.24Å; I959-I963 WeakPolarHBondContact O-CB 3.32Å; I959-I963 WeakPolarHBondContact O-CD1 3.45Å; I959-I963 WeakPolarHBondContact O-CG1 3.08Å; I959-I963 PolarHBondContact O-N 2.9Å |
| 960 | G | 57.9 | Low | 58.5 | Low | 1 Ų | 1 | 78.7 Ų | 78.7 | 1% | 0.01 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -55.4 | -41.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V954 S957 I963 Y964 | V954-G960 WeakPolarHBondContact O-CA 3.37Å; S957-G960 PolarHBondContact O-N 3.28Å; S957-G960 PolarHBondContact OG-N 3.27Å; G960-I963 PolarHBondContact O-N 3.42Å; G960-Y964 WeakPolarHBondContact O-CD2 3.18Å; G960-Y964 WeakPolarHBondContact O-CE2 3.44Å |
| 961 | Q | 55.9 | Low | 58.4 | Low | 91 Ų | 91 | 79.8 Ų | 79.8 | 43% | 0.425 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.8 | -33.6 | 176.5 | -63.3 | -178.7 | -9.4 | 0 | 0 | 113.5 | S957 E958 I959 | S957-Q961 PolarHBondContact O-N 3.46Å; E958-Q961 PolarHBondContact O-N 2.92Å; I959-Q961 PolarHBondContact O-N 3.22Å |
| 962 | R | 57.3 | Low | 58.1 | Low | 171 Ų | 171 | 78.9 Ų | 78.9 | 65% | 0.645 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -74.8 | -32.1 | 174.6 | -70.6 | -175 | -153.2 | -176.9 | 9 | 113.5 | E958 I959 Y964 R965 | E958-R962 WeakPolarHBondContact O-CG 2.99Å; E958-R962 PolarHBondContact O-N 3.04Å; E958-R962 VanDerWaalsContact O-N 3.12Å; E958-R962 IonicContact OE2-NH2 3.75Å; E958-R962 PolarHBondContact OE2-NH2 2.98Å; I959-R962 PolarHBondContact O-N 3.46Å; I959-R962 VanDerWaalsContact O-N 3.14Å; R962-Y964 PolarHBondContact O-N 3.47Å; R962-R965 PolarHBondContact O-N 2.97Å; R962-R965 VanDerWaalsContact O-N 3.16Å |
| 963 | I | 57.6 | Low | 57.9 | Low | 19 Ų | 19 | 77.2 Ų | 77.2 | 10% | 0.097 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.6 | -25.9 | 178.8 | -74.3 | 162.5 | 0 | 0 | 0 | 111.7 | F736 R739 L933 I959 G960 | F736-I963 HydrophobicContact CE1-CD1 4.31Å; F736-I963 HydrophobicContact CE1-CG2 3.78Å; F736-I963 HydrophobicContact CZ-CD1 4.09Å; R739-I963 VanDerWaalsContact CZ-O 3.3Å; R739-I963 PolarHBondContact NE-O 3.24Å; R739-I963 PolarHBondContact NH2-O 3.42Å; L933-I963 HydrophobicContact CD1-CD1 4.36Å; I959-I963 HydrophobicContact CG2-CD1 3.84Å; I959-I963 HydrophobicContact CG2-CG1 4.24Å; I959-I963 WeakPolarHBondContact O-CB 3.32Å; I959-I963 WeakPolarHBondContact O-CD1 3.45Å; I959-I963 WeakPolarHBondContact O-CG1 3.08Å; I959-I963 PolarHBondContact O-N 2.9Å; G960-I963 PolarHBondContact O-N 3.42Å |
| 964 | Y | 53.1 | Low | 58.1 | Low | 96 Ų | 96 | 82 Ų | 82 | 38% | 0.376 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -3.3 | 178.8 | -64.2 | -69.3 | 0 | 0 | 0 | 115.1 | G960 R962 | G960-Y964 WeakPolarHBondContact O-CD2 3.18Å; G960-Y964 WeakPolarHBondContact O-CE2 3.44Å; R962-Y964 PolarHBondContact O-N 3.47Å |
| 965 | R | 50.9 | Low | 58 | Low | 125 Ų | 125 | 83.9 Ų | 83.9 | 47% | 0.472 | 41% | 0.414 | S | S | . | . | trans | -102.8 | 112.9 | 176.3 | -69.2 | -173 | -170.1 | 176.6 | 2.2 | 110.8 | R962 P967 | R962-R965 PolarHBondContact O-N 2.97Å; R962-R965 VanDerWaalsContact O-N 3.16Å; R965-P967 WeakPolarHBondContact O-CD 3.45Å | ||
| 966 | V | 51.4 | Low | 58 | Low | 52 Ų | 52 | 85.6 Ų | 85.6 | 32% | 0.315 | 42% | 0.42 | S | S | . | . | trans | -73.8 | 114.7 | 161.6 | -179 | 0 | 0 | 0 | 0 | 106.8 | L743 S968 L972 | L743-V966 HydrophobicContact CD2-CG2 4.24Å; V966-S968 PolarHBondContact O-N 3.41Å; V966-L972 HydrophobicContact CG1-CD1 4.06Å | ||
| 967 | P | 50.2 | Low | 58 | Low | 76 Ų | 76 | 79.6 Ų | 79.6 | 49% | 0.494 | 40% | 0.404 | S | S | . | . | trans | -89 | 93.8 | -169.3 | 30 | -25.4 | 0 | 0 | 0 | 111.4 | R965 S971 | R965-P967 WeakPolarHBondContact O-CD 3.45Å; P967-S971 WeakPolarHBondContact O-CB 3.35Å; P967-S971 PolarHBondContact O-OG 3.15Å | ||
| 968 | S | 55.4 | Low | 58.2 | Low | 80 Ų | 80 | 82.5 Ų | 82.5 | 56% | 0.559 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | 63.9 | 149.3 | 174.8 | 76.9 | 0 | 0 | 0 | 0 | 117.4 | V966 C970 S971 L972 | V966-S968 PolarHBondContact O-N 3.41Å; S968-C970 PolarHBondContact O-N 2.94Å; S968-S971 PolarHBondContact O-N 3.47Å; S968-S971 PolarHBondContact O-OG 3.08Å; S968-L972 PolarHBondContact O-N 3.33Å |
| 969 | E | 55.2 | Low | 58.4 | Low | 165 Ų | 165 | 76.8 Ų | 76.8 | 77% | 0.771 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -58 | -30.6 | 175.4 | -66.2 | -179 | 162.9 | 0 | 0 | 112.8 | L972 A973 | E969-L972 VanDerWaalsContact O-CB 3.29Å; E969-L972 WeakPolarHBondContact O-CB 3.05Å; E969-L972 PolarHBondContact O-N 2.93Å; E969-A973 PolarHBondContact O-N 3.13Å |
| 970 | C | 53.8 | Low | 58.7 | Low | 101 Ų | 101 | 79.1 Ų | 79.1 | 68% | 0.682 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -69.6 | -34.2 | 179.2 | -164.5 | 0 | 0 | 0 | 0 | 112.6 | S968 L972 K974 | S968-C970 PolarHBondContact O-N 2.94Å; C970-L972 VanDerWaalsContact C-N 3.34Å; C970-K974 WeakPolarHBondContact O-CB 3.45Å; C970-K974 PolarHBondContact O-N 3.31Å |
| 971 | S | 58.7 | Low | 59.1 | Low | 27 Ų | 27 | 82 Ų | 82 | 19% | 0.189 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -73.9 | -29.2 | 172 | 87.3 | 0 | 0 | 0 | 0 | 112.4 | P967 S968 K974 M975 | P967-S971 WeakPolarHBondContact O-CB 3.35Å; P967-S971 PolarHBondContact O-OG 3.15Å; S968-S971 PolarHBondContact O-N 3.47Å; S968-S971 PolarHBondContact O-OG 3.08Å; S971-K974 PolarHBondContact O-N 3.03Å; S971-M975 WeakPolarHBondContact O-CB 3.4Å; S971-M975 VanDerWaalsContact O-CG 3.32Å; S971-M975 WeakPolarHBondContact O-CG 3.34Å; S971-M975 PolarHBondContact O-N 3.19Å |
| 972 | L | 57.4 | Low | 59.6 | Low | 39 Ų | 39 | 80.9 Ų | 80.9 | 20% | 0.204 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -65 | -48.7 | 174.3 | -163.4 | 122 | 0 | 0 | 0 | 110.2 | Y921 V966 S968 E969 C970 M975 Q976 | Y921-L972 HydrophobicContact CE1-CD1 4.41Å; Y921-L972 HydrophobicContact CE2-CD1 4.26Å; Y921-L972 HydrophobicContact CE2-CG 3.97Å; Y921-L972 WeakPolarHBondContact OH-CD1 3.21Å; V966-L972 HydrophobicContact CG1-CD1 4.06Å; S968-L972 PolarHBondContact O-N 3.33Å; E969-L972 VanDerWaalsContact O-CB 3.29Å; E969-L972 WeakPolarHBondContact O-CB 3.05Å; E969-L972 PolarHBondContact O-N 2.93Å; C970-L972 VanDerWaalsContact C-N 3.34Å; L972-M975 PolarHBondContact O-N 2.67Å; L972-Q976 WeakPolarHBondContact O-CB 3.26Å; L972-Q976 PolarHBondContact O-N 2.85Å |
| 973 | A | 61.8 | Low | 60 | Low | 56 Ų | 56 | 74.7 Ų | 74.7 | 46% | 0.463 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | E969 Q976 D977 | E969-A973 PolarHBondContact O-N 3.13Å; A973-Q976 WeakPolarHBondContact O-CB 3.35Å; A973-Q976 PolarHBondContact O-N 3.45Å; A973-D977 WeakPolarHBondContact O-CB 3.19Å; A973-D977 PolarHBondContact O-N 2.96Å |
| 974 | K | 68.8 | Low | 60.4 | Low | 138 Ų | 138 | 79.2 Ų | 79.2 | 60% | 0.6 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -63.6 | -41.2 | 175.5 | -174.6 | 175.1 | -179.3 | 172.3 | 0 | 112.9 | C970 S971 Q976 D977 D978 | C970-K974 WeakPolarHBondContact O-CB 3.45Å; C970-K974 PolarHBondContact O-N 3.31Å; S971-K974 PolarHBondContact O-N 3.03Å; K974-Q976 VanDerWaalsContact C-N 3.3Å; K974-D977 PolarHBondContact O-N 3.31Å; K974-D978 WeakPolarHBondContact O-CB 3.14Å; K974-D978 VanDerWaalsContact O-CG 3.23Å; K974-D978 PolarHBondContact O-N 2.71Å |
| 975 | M | 62.9 | Low | 61 | Low | 47 Ų | 47 | 78.3 Ų | 78.3 | 23% | 0.232 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -67.3 | -33.9 | 175.4 | -78 | -165.3 | -124.4 | 0 | 0 | 111.7 | Y921 V925 S971 L972 V979 | Y921-M975 HydrophobicContact CE2-CB 4.45Å; V925-M975 HydrophobicContact CG2-SD 4.01Å; S971-M975 WeakPolarHBondContact O-CB 3.4Å; S971-M975 VanDerWaalsContact O-CG 3.32Å; S971-M975 WeakPolarHBondContact O-CG 3.34Å; S971-M975 PolarHBondContact O-N 3.19Å; L972-M975 PolarHBondContact O-N 2.67Å; M975-V979 WeakPolarHBondContact O-CB 3.29Å; M975-V979 WeakPolarHBondContact O-CG2 3.44Å; M975-V979 PolarHBondContact O-N 3.16Å |
| 976 | Q | 63.2 | Low | 62 | Low | 87 Ų | 87 | 75 Ų | 75 | 41% | 0.407 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.6 | -44.4 | 173.5 | -172.5 | 172.3 | -28.8 | 0 | 0 | 111.1 | L972 A973 K974 V979 E980 | L972-Q976 WeakPolarHBondContact O-CB 3.26Å; L972-Q976 PolarHBondContact O-N 2.85Å; A973-Q976 WeakPolarHBondContact O-CB 3.35Å; A973-Q976 PolarHBondContact O-N 3.45Å; K974-Q976 VanDerWaalsContact C-N 3.3Å; Q976-V979 WeakPolarHBondContact O-CB 3.49Å; Q976-V979 PolarHBondContact O-N 3.06Å; Q976-E980 WeakPolarHBondContact O-CG 3.29Å; Q976-E980 PolarHBondContact O-N 3Å |
| 977 | D | 66.8 | Low | 63.2 | Low | 88 Ų | 88 | 76.2 Ų | 76.2 | 47% | 0.471 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 174.4 | -171.7 | 37.5 | 0 | 0 | 0 | 112.2 | A973 K974 V979 E980 T981 | A973-D977 WeakPolarHBondContact O-CB 3.19Å; A973-D977 PolarHBondContact O-N 2.96Å; K974-D977 PolarHBondContact O-N 3.31Å; D977-V979 VanDerWaalsContact C-N 3.28Å; D977-V979 PolarHBondContact O-N 3.34Å; D977-E980 PolarHBondContact O-N 3.47Å; D977-E980 VanDerWaalsContact O-N 3.16Å; D977-T981 WeakPolarHBondContact O-CB 3.42Å; D977-T981 WeakPolarHBondContact O-CG2 3.44Å; D977-T981 PolarHBondContact O-N 3.41Å; D977-T981 PolarHBondContact O-OG1 2.91Å |
| 978 | D | 67.6 | Low | 64.3 | Low | 83 Ų | 83 | 73.6 Ų | 73.6 | 44% | 0.444 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.1 | -38.4 | 172.7 | -74.4 | -22.9 | 0 | 0 | 0 | 111.2 | K974 T981 S982 | K974-D978 WeakPolarHBondContact O-CB 3.14Å; K974-D978 VanDerWaalsContact O-CG 3.23Å; K974-D978 PolarHBondContact O-N 2.71Å; D978-T981 WeakPolarHBondContact CA-OG1 3.44Å; D978-T981 PolarHBondContact O-OG1 3.26Å; D978-S982 WeakPolarHBondContact O-CB 3.2Å; D978-S982 PolarHBondContact O-N 3.46Å; D978-S982 PolarHBondContact O-OG 3.13Å |
| 979 | V | 64.4 | Low | 65.4 | Low | 12 Ų | 12 | 74.1 Ų | 74.1 | 7% | 0.073 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -67.8 | -40 | 175.4 | 167.1 | 0 | 0 | 0 | 0 | 111.4 | R920 C924 M975 Q976 D977 S982 W983 | R920-V979 HydrophobicContact CB-CG1 4.24Å; R920-V979 PolarHBondContact NH2-O 3.18Å; C924-V979 HydrophobicContact CB-CG2 3.39Å; C924-V979 WeakPolarHBondContact SG-CG2 3.45Å; M975-V979 WeakPolarHBondContact O-CB 3.29Å; M975-V979 WeakPolarHBondContact O-CG2 3.44Å; M975-V979 PolarHBondContact O-N 3.16Å; Q976-V979 WeakPolarHBondContact O-CB 3.49Å; Q976-V979 PolarHBondContact O-N 3.06Å; D977-V979 VanDerWaalsContact C-N 3.28Å; D977-V979 PolarHBondContact O-N 3.34Å; V979-S982 PolarHBondContact O-OG 3.33Å; V979-W983 PolarHBondContact O-NE1 3.4Å |
| 980 | E | 62.4 | Low | 66.6 | Low | 107 Ų | 107 | 72 Ų | 72 | 50% | 0.5 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.6 | -42.4 | 177.8 | -74.7 | 175 | -164.5 | 0 | 0 | 111.6 | Q976 D977 | Q976-E980 WeakPolarHBondContact O-CG 3.29Å; Q976-E980 PolarHBondContact O-N 3Å; D977-E980 PolarHBondContact O-N 3.47Å; D977-E980 VanDerWaalsContact O-N 3.16Å |
| 981 | T | 67.3 | Low | 67.8 | Low | 61 Ų | 61 | 70.4 Ų | 70.4 | 37% | 0.374 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -80.2 | -25.4 | -177.5 | 57.5 | 0 | 0 | 0 | 0 | 114.4 | D977 D978 W983 I984 | D977-T981 WeakPolarHBondContact O-CB 3.42Å; D977-T981 WeakPolarHBondContact O-CG2 3.44Å; D977-T981 PolarHBondContact O-N 3.41Å; D977-T981 PolarHBondContact O-OG1 2.91Å; D978-T981 WeakPolarHBondContact CA-OG1 3.44Å; D978-T981 PolarHBondContact O-OG1 3.26Å; T981-W983 PolarHBondContact O-N 3.44Å; T981-I984 HydrophobicContact CG2-CD1 4.17Å; T981-I984 WeakPolarHBondContact O-CB 3.43Å; T981-I984 WeakPolarHBondContact O-CG1 3.31Å; T981-I984 PolarHBondContact O-N 2.99Å |
| 982 | S | 65.5 | Low | 69 | Low | 68 Ų | 68 | 71.7 Ų | 71.7 | 48% | 0.476 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -19 | -175.2 | 58.9 | 0 | 0 | 0 | 0 | 115.4 | D978 V979 | D978-S982 WeakPolarHBondContact O-CB 3.2Å; D978-S982 PolarHBondContact O-N 3.46Å; D978-S982 PolarHBondContact O-OG 3.13Å; V979-S982 PolarHBondContact O-OG 3.33Å |
| 983 | W | 66.9 | Low | 70.3 | Confident | 42 Ų | 42 | 73.9 Ų | 73.9 | 16% | 0.159 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -11.1 | -177.1 | -47.4 | 78.5 | 0 | 0 | 0 | 113.4 | V979 T981 G985 H986 R991 T994 Y998 | V979-W983 PolarHBondContact O-NE1 3.4Å; T981-W983 PolarHBondContact O-N 3.44Å; W983-G985 PolarHBondContact O-N 3.16Å; W983-G985 VanDerWaalsContact O-N 3.08Å; W983-H986 PolarHBondContact O-N 3.38Å; W983-R991 HydrophobicContact CB-CG 4.38Å; W983-R991 PolarHBondContact O-NE 3.46Å; W983-T994 HydrophobicContact CE3-CG2 4.21Å; W983-T994 HydrophobicContact CH2-CG2 4.48Å; W983-T994 HydrophobicContact CZ3-CG2 3.54Å; W983-T994 VanDerWaalsContact CZ3-OG1 3.24Å; W983-T994 WeakPolarHBondContact CZ3-OG1 3.28Å; W983-Y998 HydrophobicContact CH2-CD2 4.27Å; W983-Y998 AromaticContact CH2-CE2 3.5Å; W983-Y998 HydrophobicContact CH2-CE2 3.5Å; W983-Y998 VanDerWaalsContact CH2-CE2 3.5Å; W983-Y998 AromaticContact CZ2-CE2 3.92Å; W983-Y998 HydrophobicContact CZ2-CE2 3.92Å; W983-Y998 HydrophobicContact CZ3-CE2 4.44Å |
| 984 | I | 65.6 | Low | 71.2 | Confident | 114 Ų | 114 | 72.5 Ų | 72.5 | 59% | 0.585 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -18.3 | -175.9 | -61.3 | 173.7 | 0 | 0 | 0 | 111.8 | T981 R991 | T981-I984 HydrophobicContact CG2-CD1 4.17Å; T981-I984 WeakPolarHBondContact O-CB 3.43Å; T981-I984 WeakPolarHBondContact O-CG1 3.31Å; T981-I984 PolarHBondContact O-N 2.99Å; I984-R991 VanDerWaalsContact C-NH2 3.31Å; I984-R991 PolarHBondContact O-NH2 3.18Å |
| 985 | G | 65.1 | Low | 71.9 | Confident | 77 Ų | 77 | 65.9 Ų | 65.9 | 79% | 0.794 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -6.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | W983 | W983-G985 PolarHBondContact O-N 3.16Å; W983-G985 VanDerWaalsContact O-N 3.08Å |
| 986 | H | 71.2 | Confident | 73.1 | Confident | 56 Ų | 56 | 66.5 Ų | 66.5 | 26% | 0.259 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -95 | 154.6 | -174.8 | -67.3 | -28.9 | 0 | 0 | 0 | 113.3 | W983 R990 R991 | W983-H986 PolarHBondContact O-N 3.38Å; H986-R990 HydrophobicContact CB-CB 4.19Å; H986-R990 HydrophobicContact CB-CG 4.13Å; H986-R991 HydrophobicContact CB-CG 3.92Å; H986-R991 PolarHBondContact O-NE 3.5Å; H986-R991 PolarHBondContact O-NH2 3.3Å |
| 987 | S | 77.9 | Confident | 74.2 | Confident | 76 Ų | 76 | 67.5 Ų | 67.5 | 53% | 0.531 | 37% | 0.369 | S | S | . | . | trans | -61.8 | 149.6 | 172.4 | 62.5 | 0 | 0 | 0 | 0 | 111 | V989 R990 R991 | S987-V989 PolarHBondContact O-N 3.43Å; S987-V989 VanDerWaalsContact O-N 3.1Å; S987-R990 PolarHBondContact O-N 2.96Å; S987-R990 PolarHBondContact OG-N 3.03Å; S987-R991 PolarHBondContact O-N 3.38Å | ||
| 988 | A | 73.5 | Confident | 75.1 | Confident | 22 Ų | 22 | 66 Ų | 66 | 18% | 0.182 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -51.5 | -38.3 | -180 | 0 | 0 | 0 | 0 | 0 | 112.7 | V902 R991 F992 | V902-A988 HydrophobicContact CG1-CB 4.21Å; A988-R991 PolarHBondContact O-N 3.31Å; A988-F992 WeakPolarHBondContact O-CB 3.49Å; A988-F992 PolarHBondContact O-N 2.76Å |
| 989 | V | 78.3 | Confident | 76 | Confident | 90 Ų | 90 | 63 Ų | 63 | 55% | 0.545 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 174.9 | -177.7 | 0 | 0 | 0 | 0 | 112.1 | M905 S987 F992 V993 | M905-V989 HydrophobicContact CE-CB 4.25Å; M905-V989 HydrophobicContact CE-CG2 4Å; S987-V989 PolarHBondContact O-N 3.43Å; S987-V989 VanDerWaalsContact O-N 3.1Å; V989-F992 PolarHBondContact O-N 3.28Å; V989-V993 HydrophobicContact CG1-CG2 4.4Å; V989-V993 VanDerWaalsContact O-CG2 3.29Å; V989-V993 WeakPolarHBondContact O-CG2 3.5Å; V989-V993 PolarHBondContact O-N 2.64Å |
| 990 | R | 78.9 | Confident | 77.1 | Confident | 121 Ų | 121 | 66.4 Ų | 66.4 | 46% | 0.457 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 179.5 | -179.7 | 173.4 | 176.4 | 168.8 | -1.3 | 110.6 | H986 S987 V993 T994 | H986-R990 HydrophobicContact CB-CB 4.19Å; H986-R990 HydrophobicContact CB-CG 4.13Å; S987-R990 PolarHBondContact O-N 2.96Å; S987-R990 PolarHBondContact OG-N 3.03Å; R990-V993 PolarHBondContact O-N 3.11Å; R990-T994 HydrophobicContact CG-CG2 4.36Å; R990-T994 WeakPolarHBondContact O-CB 3.49Å; R990-T994 VanDerWaalsContact O-CG2 3.26Å; R990-T994 WeakPolarHBondContact O-CG2 3.39Å; R990-T994 PolarHBondContact O-N 2.84Å; R990-T994 PolarHBondContact O-OG1 3.02Å |
| 991 | R | 79.5 | Confident | 78.2 | Confident | 67 Ų | 67 | 61.7 Ų | 61.7 | 25% | 0.253 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.1 | -47.3 | 175.3 | -64.6 | -175.2 | -168.2 | 160.6 | 5.6 | 111.7 | W983 I984 H986 S987 A988 T994 A995 | W983-R991 HydrophobicContact CB-CG 4.38Å; W983-R991 PolarHBondContact O-NE 3.46Å; I984-R991 VanDerWaalsContact C-NH2 3.31Å; I984-R991 PolarHBondContact O-NH2 3.18Å; H986-R991 HydrophobicContact CB-CG 3.92Å; H986-R991 PolarHBondContact O-NE 3.5Å; H986-R991 PolarHBondContact O-NH2 3.3Å; S987-R991 PolarHBondContact O-N 3.38Å; A988-R991 PolarHBondContact O-N 3.31Å; R991-T994 WeakPolarHBondContact CA-OG1 3.45Å; R991-T994 PolarHBondContact O-N 3.04Å; R991-T994 PolarHBondContact O-OG1 2.87Å; R991-A995 VanDerWaalsContact O-CB 3.3Å; R991-A995 WeakPolarHBondContact O-CB 3.31Å; R991-A995 PolarHBondContact O-N 3.25Å |
| 992 | F | 84.6 | Confident | 78.9 | Confident | 55 Ų | 55 | 60.2 Ų | 60.2 | 24% | 0.241 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.6 | -47.4 | 178.1 | 178.4 | -96.4 | 0 | 0 | 0 | 112.5 | M905 A908 S909 F912 A988 V989 T994 A995 L996 | M905-F992 HydrophobicContact CE-CB 3.66Å; M905-F992 HydrophobicContact CE-CD1 4.15Å; M905-F992 HydrophobicContact CE-CG 3.93Å; A908-F992 HydrophobicContact CB-CD2 4.19Å; A908-F992 HydrophobicContact CB-CE2 3.86Å; S909-F992 WeakPolarHBondContact OG-CA 3.43Å; S909-F992 WeakPolarHBondContact OG-CB 3.24Å; S909-F992 PolarHBondContact OG-N 3.16Å; F912-F992 HydrophobicContact CD2-CE2 4.24Å; F912-F992 HydrophobicContact CE2-CD2 4.24Å; F912-F992 AromaticContact CE2-CE2 3.51Å; F912-F992 HydrophobicContact CE2-CE2 3.51Å; F912-F992 AromaticContact CE2-CZ 3.94Å; F912-F992 HydrophobicContact CE2-CZ 3.94Å; F912-F992 HydrophobicContact CZ-CE2 4.35Å; A988-F992 WeakPolarHBondContact O-CB 3.49Å; A988-F992 PolarHBondContact O-N 2.76Å; V989-F992 PolarHBondContact O-N 3.28Å; F992-T994 VanDerWaalsContact C-N 3.31Å; F992-T994 PolarHBondContact O-N 2.87Å; F992-A995 PolarHBondContact O-N 3.43Å; F992-L996 HydrophobicContact CE1-CD2 4.26Å; F992-L996 VanDerWaalsContact O-CB 3.28Å; F992-L996 WeakPolarHBondContact O-CB 3.34Å; F992-L996 PolarHBondContact O-N 2.87Å |
| 993 | V | 84.4 | Confident | 79.8 | Confident | 84 Ų | 84 | 58.5 Ų | 58.5 | 51% | 0.509 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 179.1 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | V989 R990 Y997 | V989-V993 HydrophobicContact CG1-CG2 4.4Å; V989-V993 VanDerWaalsContact O-CG2 3.29Å; V989-V993 WeakPolarHBondContact O-CG2 3.5Å; V989-V993 PolarHBondContact O-N 2.64Å; R990-V993 PolarHBondContact O-N 3.11Å; V993-Y997 WeakPolarHBondContact O-CB 3.21Å; V993-Y997 PolarHBondContact O-N 3.25Å |
| 994 | T | 80.5 | Confident | 80.9 | Confident | 27 Ų | 27 | 56.9 Ų | 56.9 | 17% | 0.166 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.5 | -43 | 177.9 | 51.9 | 0 | 0 | 0 | 0 | 111.7 | W983 R990 R991 F992 L996 Y997 Y998 | W983-T994 HydrophobicContact CE3-CG2 4.21Å; W983-T994 HydrophobicContact CH2-CG2 4.48Å; W983-T994 HydrophobicContact CZ3-CG2 3.54Å; W983-T994 VanDerWaalsContact CZ3-OG1 3.24Å; W983-T994 WeakPolarHBondContact CZ3-OG1 3.28Å; R990-T994 HydrophobicContact CG-CG2 4.36Å; R990-T994 WeakPolarHBondContact O-CB 3.49Å; R990-T994 VanDerWaalsContact O-CG2 3.26Å; R990-T994 WeakPolarHBondContact O-CG2 3.39Å; R990-T994 PolarHBondContact O-N 2.84Å; R990-T994 PolarHBondContact O-OG1 3.02Å; R991-T994 WeakPolarHBondContact CA-OG1 3.45Å; R991-T994 PolarHBondContact O-N 3.04Å; R991-T994 PolarHBondContact O-OG1 2.87Å; F992-T994 VanDerWaalsContact C-N 3.31Å; F992-T994 PolarHBondContact O-N 2.87Å; T994-L996 VanDerWaalsContact C-N 3.34Å; T994-L996 PolarHBondContact O-N 3.04Å; T994-Y997 PolarHBondContact O-N 3.35Å; T994-Y998 WeakPolarHBondContact O-CD2 3.17Å; T994-Y998 PolarHBondContact O-N 2.98Å |
| 995 | A | 84 | Confident | 81.8 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F912 N913 R991 F992 Y998 L999 | F912-A995 HydrophobicContact CB-CB 3.9Å; F912-A995 HydrophobicContact CD2-CB 4.46Å; N913-A995 VanDerWaalsContact OD1-CB 3.27Å; N913-A995 WeakPolarHBondContact OD1-CB 3.27Å; R991-A995 VanDerWaalsContact O-CB 3.3Å; R991-A995 WeakPolarHBondContact O-CB 3.31Å; R991-A995 PolarHBondContact O-N 3.25Å; F992-A995 PolarHBondContact O-N 3.43Å; A995-Y998 PolarHBondContact O-N 3.04Å; A995-L999 WeakPolarHBondContact O-CB 3.43Å; A995-L999 PolarHBondContact O-N 3.5Å |
| 996 | L | 87.7 | Confident | 82.6 | Confident | 59 Ų | 59 | 51.5 Ų | 51.5 | 31% | 0.309 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 174.6 | -178.4 | 63.9 | 0 | 0 | 0 | 112.3 | F912 F992 T994 L999 L1000 | F912-L996 HydrophobicContact CD2-CB 4.27Å; F912-L996 HydrophobicContact CD2-CD1 4.43Å; F912-L996 HydrophobicContact CE2-CB 4.36Å; F912-L996 HydrophobicContact CE2-CD1 4Å; F912-L996 HydrophobicContact CZ-CD1 4.48Å; F992-L996 HydrophobicContact CE1-CD2 4.26Å; F992-L996 VanDerWaalsContact O-CB 3.28Å; F992-L996 WeakPolarHBondContact O-CB 3.34Å; F992-L996 PolarHBondContact O-N 2.87Å; T994-L996 VanDerWaalsContact C-N 3.34Å; T994-L996 PolarHBondContact O-N 3.04Å; L996-L999 HydrophobicContact CD1-CD2 4.45Å; L996-L999 PolarHBondContact O-N 2.93Å; L996-L1000 HydrophobicContact CD1-CG 4.45Å; L996-L1000 HydrophobicContact CG-CD1 4.3Å; L996-L1000 VanDerWaalsContact O-CG 3.31Å; L996-L1000 WeakPolarHBondContact O-CG 3.39Å; L996-L1000 PolarHBondContact O-N 3.11Å |
| 997 | Y | 86.5 | Confident | 83.3 | Confident | 109 Ų | 109 | 51.2 Ų | 51.2 | 43% | 0.427 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.1 | -47.1 | 175.7 | 171.6 | -98.4 | 0 | 0 | 0 | 111.5 | V993 T994 L1000 V1001 | V993-Y997 WeakPolarHBondContact O-CB 3.21Å; V993-Y997 PolarHBondContact O-N 3.25Å; T994-Y997 PolarHBondContact O-N 3.35Å; Y997-L1000 PolarHBondContact O-N 2.74Å; Y997-V1001 HydrophobicContact CD1-CG2 4.39Å; Y997-V1001 HydrophobicContact CD2-CG2 4.14Å; Y997-V1001 HydrophobicContact CE1-CG2 4.01Å; Y997-V1001 HydrophobicContact CE2-CG2 3.75Å; Y997-V1001 HydrophobicContact CG-CG2 4.45Å; Y997-V1001 WeakPolarHBondContact O-CB 3.37Å; Y997-V1001 VanDerWaalsContact O-CG2 3.23Å; Y997-V1001 WeakPolarHBondContact O-CG2 3.39Å; Y997-V1001 PolarHBondContact O-N 3.37Å |
| 998 | Y | 85.3 | Confident | 83.9 | Confident | 57 Ų | 57 | 47.6 Ų | 47.6 | 22% | 0.224 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.6 | -37 | 176.6 | -78.7 | -74.1 | 0 | 0 | 0 | 112.6 | H919 R920 A923 W983 T994 A995 L1000 V1001 A1002 | H919-Y998 AromaticContact ND1-CD1 3.95Å; R920-Y998 HydrophobicContact CG-CD1 3.68Å; R920-Y998 HydrophobicContact CG-CD2 4.15Å; R920-Y998 HydrophobicContact CG-CE1 4.29Å; R920-Y998 HydrophobicContact CG-CG 3.6Å; A923-Y998 HydrophobicContact CB-CE1 4.18Å; W983-Y998 HydrophobicContact CH2-CD2 4.27Å; W983-Y998 AromaticContact CH2-CE2 3.5Å; W983-Y998 HydrophobicContact CH2-CE2 3.5Å; W983-Y998 VanDerWaalsContact CH2-CE2 3.5Å; W983-Y998 AromaticContact CZ2-CE2 3.92Å; W983-Y998 HydrophobicContact CZ2-CE2 3.92Å; W983-Y998 HydrophobicContact CZ3-CE2 4.44Å; T994-Y998 WeakPolarHBondContact O-CD2 3.17Å; T994-Y998 PolarHBondContact O-N 2.98Å; A995-Y998 PolarHBondContact O-N 3.04Å; Y998-L1000 PolarHBondContact O-N 3.46Å; Y998-V1001 PolarHBondContact O-N 3.12Å; Y998-A1002 WeakPolarHBondContact O-CB 3.29Å; Y998-A1002 PolarHBondContact O-N 3.39Å |
| 999 | L | 87.5 | Confident | 84.4 | Confident | 18 Ų | 18 | 47.2 Ų | 47.2 | 9% | 0.094 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.2 | -46.9 | 173.4 | 178.8 | 68.6 | 0 | 0 | 0 | 112.1 | F912 W915 A995 L996 A1002 N1003 | F912-L999 HydrophobicContact CB-CB 4.41Å; F912-L999 HydrophobicContact CB-CD2 4.38Å; F912-L999 HydrophobicContact CD1-CD2 3.55Å; F912-L999 HydrophobicContact CD2-CD2 4.47Å; F912-L999 HydrophobicContact CE1-CD2 3.87Å; F912-L999 HydrophobicContact CG-CD2 3.89Å; F912-L999 HydrophobicContact CZ-CD2 4.45Å; W915-L999 HydrophobicContact CB-CD1 4.07Å; W915-L999 HydrophobicContact CD2-CD1 3.58Å; W915-L999 HydrophobicContact CE3-CD1 3.4Å; W915-L999 VanDerWaalsContact CE3-CD1 3.4Å; W915-L999 HydrophobicContact CE3-CD2 4.26Å; W915-L999 HydrophobicContact CE3-CG 4.45Å; W915-L999 HydrophobicContact CG-CD1 3.89Å; W915-L999 HydrophobicContact CZ3-CD1 4.08Å; W915-L999 HydrophobicContact CZ3-CD2 4.45Å; A995-L999 WeakPolarHBondContact O-CB 3.43Å; A995-L999 PolarHBondContact O-N 3.5Å; L996-L999 HydrophobicContact CD1-CD2 4.45Å; L996-L999 PolarHBondContact O-N 2.93Å; L999-A1002 PolarHBondContact O-N 3.38Å; L999-N1003 PolarHBondContact O-N 2.78Å; L999-N1003 PolarHBondContact O-ND2 2.84Å |
| 1000 | L | 86.4 | Confident | 84.6 | Confident | 84 Ų | 84 | 45.9 Ų | 45.9 | 44% | 0.44 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66.9 | -38.4 | 179.5 | -69.9 | 173.1 | 0 | 0 | 0 | 112.1 | L996 Y997 Y998 T1004 I1007 | L996-L1000 HydrophobicContact CD1-CG 4.45Å; L996-L1000 HydrophobicContact CG-CD1 4.3Å; L996-L1000 VanDerWaalsContact O-CG 3.31Å; L996-L1000 WeakPolarHBondContact O-CG 3.39Å; L996-L1000 PolarHBondContact O-N 3.11Å; Y997-L1000 PolarHBondContact O-N 2.74Å; Y998-L1000 PolarHBondContact O-N 3.46Å; L1000-T1004 VanDerWaalsContact O-CG2 3.31Å; L1000-T1004 WeakPolarHBondContact O-CG2 3.4Å; L1000-I1007 HydrophobicContact CB-CD1 4.22Å; L1000-I1007 HydrophobicContact CD2-CD1 3.73Å; L1000-I1007 WeakPolarHBondContact O-CD1 3.44Å |
| 1001 | V | 85 | Confident | 84.9 | Confident | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.055 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.8 | -37.9 | 178.6 | 175.2 | 0 | 0 | 0 | 0 | 111 | H919 Y997 Y998 N1003 T1004 F1108 H1112 | H919-V1001 VanDerWaalsContact CE1-CG1 3.44Å; H919-V1001 WeakPolarHBondContact CE1-CG1 3.07Å; Y997-V1001 HydrophobicContact CD1-CG2 4.39Å; Y997-V1001 HydrophobicContact CD2-CG2 4.14Å; Y997-V1001 HydrophobicContact CE1-CG2 4.01Å; Y997-V1001 HydrophobicContact CE2-CG2 3.75Å; Y997-V1001 HydrophobicContact CG-CG2 4.45Å; Y997-V1001 WeakPolarHBondContact O-CB 3.37Å; Y997-V1001 VanDerWaalsContact O-CG2 3.23Å; Y997-V1001 WeakPolarHBondContact O-CG2 3.39Å; Y997-V1001 PolarHBondContact O-N 3.37Å; Y998-V1001 PolarHBondContact O-N 3.12Å; V1001-N1003 VanDerWaalsContact C-N 3.33Å; V1001-N1003 PolarHBondContact O-N 3.37Å; V1001-T1004 WeakPolarHBondContact O-CG2 3.45Å; V1001-F1108 HydrophobicContact CG2-CZ 4.2Å; V1001-H1112 VanDerWaalsContact CG1-NE2 3.32Å; V1001-H1112 WeakPolarHBondContact CG1-NE2 3.49Å; V1001-H1112 PolarHBondContact O-CD2 3.41Å; V1001-H1112 PolarHBondContact O-NE2 2.77Å; V1001-H1112 VanDerWaalsContact O-NE2 3.13Å |
| 1002 | A | 82.5 | Confident | 85.1 | Confident | 29 Ų | 29 | 38.9 Ų | 38.9 | 24% | 0.24 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.7 | -40.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | H919 Y998 L999 | H919-A1002 HydrophobicContact CB-CB 3.77Å; Y998-A1002 WeakPolarHBondContact O-CB 3.29Å; Y998-A1002 PolarHBondContact O-N 3.39Å; L999-A1002 PolarHBondContact O-N 3.38Å |
| 1003 | N | 84.8 | Confident | 84.7 | Confident | 33 Ų | 33 | 36.8 Ų | 36.8 | 18% | 0.176 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 42.7 | -172.6 | -64.6 | -53.5 | 0 | 0 | 0 | 113.3 | L999 V1001 D1005 I1006 I1007 | L999-N1003 PolarHBondContact O-N 2.78Å; L999-N1003 PolarHBondContact O-ND2 2.84Å; V1001-N1003 VanDerWaalsContact C-N 3.33Å; V1001-N1003 PolarHBondContact O-N 3.37Å; N1003-D1005 VanDerWaalsContact C-N 3.34Å; N1003-D1005 PolarHBondContact O-N 3.21Å; N1003-I1006 HydrophobicContact CB-CB 4.5Å; N1003-I1006 HydrophobicContact CB-CD1 3.88Å; N1003-I1007 WeakPolarHBondContact O-CG1 3.29Å; N1003-I1007 PolarHBondContact O-N 3.41Å |
| 1004 | T | 89.2 | Confident | 84.5 | Confident | 7 Ų | 7 | 37.1 Ų | 37.1 | 4% | 0.043 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.2 | -28.9 | -176 | 46.6 | 0 | 0 | 0 | 0 | 114.6 | L1000 V1001 I1007 C1008 F1108 H1109 | L1000-T1004 VanDerWaalsContact O-CG2 3.31Å; L1000-T1004 WeakPolarHBondContact O-CG2 3.4Å; V1001-T1004 WeakPolarHBondContact O-CG2 3.45Å; T1004-I1007 PolarHBondContact O-N 3.29Å; T1004-C1008 PolarHBondContact O-N 2.93Å; T1004-C1008 VanDerWaalsContact O-N 3.14Å; T1004-C1008 PolarHBondContact O-SG 2.74Å; T1004-F1108 HydrophobicContact CG2-CD1 3.95Å; T1004-F1108 HydrophobicContact CG2-CE1 3.62Å; T1004-H1109 WeakPolarHBondContact CB-ND1 3.33Å; T1004-H1109 PolarHBondContact OG1-ND1 3.38Å |
| 1005 | D | 84 | Confident | 84.6 | Confident | 56 Ų | 56 | 35.8 Ų | 35.8 | 30% | 0.299 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -64.2 | -45.3 | 175.9 | 55 | -15.1 | 0 | 0 | 0 | 112.3 | N1003 I1007 C1008 Y1009 W1047 | N1003-D1005 VanDerWaalsContact C-N 3.34Å; N1003-D1005 PolarHBondContact O-N 3.21Å; D1005-I1007 VanDerWaalsContact C-N 3.31Å; D1005-I1007 PolarHBondContact O-N 2.76Å; D1005-C1008 WeakPolarHBondContact O-CA 3.4Å; D1005-C1008 VanDerWaalsContact O-CB 3.27Å; D1005-C1008 WeakPolarHBondContact O-CB 3.47Å; D1005-C1008 PolarHBondContact O-N 2.77Å; D1005-C1008 VanDerWaalsContact O-N 3.13Å; D1005-Y1009 HydrophobicContact CB-CE2 4.33Å; D1005-Y1009 WeakPolarHBondContact O-CD2 3.49Å; D1005-Y1009 PolarHBondContact O-N 2.95Å; D1005-W1047 HydrophobicContact CB-CH2 4.34Å; D1005-W1047 HydrophobicContact CB-CZ2 4.27Å |
| 1006 | I | 83.3 | Confident | 84.5 | Confident | 23 Ų | 23 | 37.6 Ų | 37.6 | 12% | 0.118 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.2 | -45.3 | 173.1 | -76 | 151.7 | 0 | 0 | 0 | 111.1 | N1003 C1008 Y1009 L1010 L1335 | N1003-I1006 HydrophobicContact CB-CB 4.5Å; N1003-I1006 HydrophobicContact CB-CD1 3.88Å; I1006-C1008 PolarHBondContact O-N 3.32Å; I1006-Y1009 PolarHBondContact O-N 3.29Å; I1006-Y1009 VanDerWaalsContact O-N 3.11Å; I1006-L1010 HydrophobicContact CG2-CD1 3.94Å; I1006-L1010 HydrophobicContact CG2-CG 4.32Å; I1006-L1010 WeakPolarHBondContact O-CG 3.41Å; I1006-L1010 PolarHBondContact O-N 3.04Å; I1006-L1335 HydrophobicContact CB-CD1 4.33Å; I1006-L1335 HydrophobicContact CD1-CD1 4.16Å; I1006-L1335 HydrophobicContact CD1-CD2 3.79Å; I1006-L1335 HydrophobicContact CD1-CG 3.61Å; I1006-L1335 HydrophobicContact CG1-CD1 3.95Å; I1006-L1335 HydrophobicContact CG1-CD2 4.4Å; I1006-L1335 HydrophobicContact CG1-CG 3.98Å; I1006-L1335 HydrophobicContact CG2-CD1 3.5Å; I1006-L1335 VanDerWaalsContact CG2-CD1 3.5Å; I1006-L1335 HydrophobicContact CG2-CD2 3.91Å; I1006-L1335 HydrophobicContact CG2-CG 4.02Å |
| 1007 | I | 86 | Confident | 83.6 | Confident | 50 Ų | 50 | 37.3 Ų | 37.3 | 26% | 0.256 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62 | -38.4 | 179.6 | -60.1 | 169.5 | 0 | 0 | 0 | 109.9 | L1000 N1003 T1004 D1005 M1011 V1105 | L1000-I1007 HydrophobicContact CB-CD1 4.22Å; L1000-I1007 HydrophobicContact CD2-CD1 3.73Å; L1000-I1007 WeakPolarHBondContact O-CD1 3.44Å; N1003-I1007 WeakPolarHBondContact O-CG1 3.29Å; N1003-I1007 PolarHBondContact O-N 3.41Å; T1004-I1007 PolarHBondContact O-N 3.29Å; D1005-I1007 VanDerWaalsContact C-N 3.31Å; D1005-I1007 PolarHBondContact O-N 2.76Å; I1007-M1011 WeakPolarHBondContact O-CB 3.36Å; I1007-M1011 PolarHBondContact O-N 2.87Å; I1007-M1011 VanDerWaalsContact O-N 3.07Å; I1007-V1105 HydrophobicContact CB-CG1 4.38Å; I1007-V1105 HydrophobicContact CG2-CG1 3.74Å; I1007-V1105 HydrophobicContact CG2-CG2 4.47Å |
| 1008 | C | 89 | Confident | 82.9 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.6 | -49.2 | 171.9 | -64.6 | 0 | 0 | 0 | 0 | 111.6 | T1004 D1005 I1006 L1010 M1011 I1012 W1047 V1105 L1106 H1109 | T1004-C1008 PolarHBondContact O-N 2.93Å; T1004-C1008 VanDerWaalsContact O-N 3.14Å; T1004-C1008 PolarHBondContact O-SG 2.74Å; D1005-C1008 WeakPolarHBondContact O-CA 3.4Å; D1005-C1008 VanDerWaalsContact O-CB 3.27Å; D1005-C1008 WeakPolarHBondContact O-CB 3.47Å; D1005-C1008 PolarHBondContact O-N 2.77Å; D1005-C1008 VanDerWaalsContact O-N 3.13Å; I1006-C1008 PolarHBondContact O-N 3.32Å; C1008-L1010 PolarHBondContact O-N 2.64Å; C1008-M1011 PolarHBondContact O-N 2.99Å; C1008-I1012 WeakPolarHBondContact O-CG1 3.2Å; C1008-I1012 PolarHBondContact O-N 3.24Å; C1008-W1047 HydrophobicContact CB-CH2 4.06Å; C1008-W1047 HydrophobicContact CB-CZ3 3.87Å; C1008-V1105 HydrophobicContact CB-CG1 4.49Å; C1008-L1106 HydrophobicContact CB-CD2 4.03Å; C1008-H1109 VanDerWaalsContact SG-CB 3.54Å |
| 1009 | Y | 85.3 | Confident | 82.1 | Confident | 14 Ų | 14 | 36.5 Ų | 36.5 | 6% | 0.055 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.3 | -43.2 | -179.6 | -64 | -47.1 | 0 | 0 | 0 | 112.8 | D1005 I1006 M1011 I1012 I1013 A1031 T1036 P1042 F1046 W1047 V1331 | D1005-Y1009 HydrophobicContact CB-CE2 4.33Å; D1005-Y1009 WeakPolarHBondContact O-CD2 3.49Å; D1005-Y1009 PolarHBondContact O-N 2.95Å; I1006-Y1009 PolarHBondContact O-N 3.29Å; I1006-Y1009 VanDerWaalsContact O-N 3.11Å; Y1009-M1011 VanDerWaalsContact C-N 3.34Å; Y1009-M1011 PolarHBondContact O-N 3.08Å; Y1009-I1012 HydrophobicContact CD1-CD1 4.31Å; Y1009-I1012 WeakPolarHBondContact O-CB 3.29Å; Y1009-I1012 PolarHBondContact O-N 3.11Å; Y1009-I1013 WeakPolarHBondContact O-CD1 3.26Å; Y1009-I1013 WeakPolarHBondContact O-CG1 3.15Å; Y1009-I1013 PolarHBondContact O-N 3.45Å; Y1009-I1013 VanDerWaalsContact O-N 3.12Å; Y1009-A1031 HydrophobicContact CD1-CB 3.71Å; Y1009-A1031 HydrophobicContact CE1-CB 3.96Å; Y1009-T1036 HydrophobicContact CE2-CG2 4.42Å; Y1009-P1042 WeakPolarHBondContact OH-CG 3.37Å; Y1009-F1046 HydrophobicContact CE1-CE1 4.32Å; Y1009-F1046 HydrophobicContact CE1-CZ 4.01Å; Y1009-W1047 HydrophobicContact CE1-CH2 4.42Å; Y1009-V1331 HydrophobicContact CD2-CG1 4.45Å; Y1009-V1331 HydrophobicContact CG-CG1 4.48Å |
| 1010 | L | 82.2 | Confident | 81.2 | Confident | 62 Ų | 62 | 37.6 Ų | 37.6 | 33% | 0.325 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59.7 | -43.6 | 174.7 | -73.7 | 174.6 | 0 | 0 | 0 | 111.9 | I1006 C1008 I1012 I1013 F1014 | I1006-L1010 HydrophobicContact CG2-CD1 3.94Å; I1006-L1010 HydrophobicContact CG2-CG 4.32Å; I1006-L1010 WeakPolarHBondContact O-CG 3.41Å; I1006-L1010 PolarHBondContact O-N 3.04Å; C1008-L1010 PolarHBondContact O-N 2.64Å; L1010-I1012 VanDerWaalsContact C-N 3.34Å; L1010-I1012 PolarHBondContact O-N 3.38Å; L1010-I1013 PolarHBondContact O-N 3.06Å; L1010-F1014 WeakPolarHBondContact O-CG 3.13Å; L1010-F1014 PolarHBondContact O-N 3.45Å |
| 1011 | M | 85.1 | Confident | 80.7 | Confident | 39 Ų | 39 | 33.6 Ų | 33.6 | 19% | 0.192 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.6 | -31.9 | 179.6 | -169.4 | 63.3 | 74.3 | 0 | 0 | 112.6 | I1007 C1008 Y1009 N1015 A1101 L1102 V1105 | I1007-M1011 WeakPolarHBondContact O-CB 3.36Å; I1007-M1011 PolarHBondContact O-N 2.87Å; I1007-M1011 VanDerWaalsContact O-N 3.07Å; C1008-M1011 PolarHBondContact O-N 2.99Å; Y1009-M1011 VanDerWaalsContact C-N 3.34Å; Y1009-M1011 PolarHBondContact O-N 3.08Å; M1011-N1015 WeakPolarHBondContact O-CB 3.37Å; M1011-N1015 PolarHBondContact O-N 2.91Å; M1011-A1101 HydrophobicContact CE-CB 4.18Å; M1011-A1101 HydrophobicContact SD-CB 4.15Å; M1011-L1102 HydrophobicContact CB-CD1 3.73Å; M1011-L1102 HydrophobicContact CG-CB 3.71Å; M1011-L1102 HydrophobicContact CG-CD1 3.67Å; M1011-L1102 HydrophobicContact CG-CG 4.27Å; M1011-V1105 HydrophobicContact CE-CG2 4.27Å |
| 1012 | I | 84.8 | Confident | 80.5 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.3 | -45.8 | 171.6 | -69.6 | 165.9 | 0 | 0 | 0 | 110.5 | C1008 Y1009 L1010 N1015 Q1016 L1027 P1028 A1031 L1050 L1102 | C1008-I1012 WeakPolarHBondContact O-CG1 3.2Å; C1008-I1012 PolarHBondContact O-N 3.24Å; Y1009-I1012 HydrophobicContact CD1-CD1 4.31Å; Y1009-I1012 WeakPolarHBondContact O-CB 3.29Å; Y1009-I1012 PolarHBondContact O-N 3.11Å; L1010-I1012 VanDerWaalsContact C-N 3.34Å; L1010-I1012 PolarHBondContact O-N 3.38Å; I1012-N1015 WeakPolarHBondContact O-CB 3.43Å; I1012-N1015 PolarHBondContact O-N 3.25Å; I1012-Q1016 PolarHBondContact O-N 2.85Å; I1012-Q1016 VanDerWaalsContact O-N 3.1Å; I1012-L1027 HydrophobicContact CG2-CB 3.69Å; I1012-P1028 HydrophobicContact CG2-CB 4.29Å; I1012-A1031 HydrophobicContact CD1-CB 4.24Å; I1012-L1050 HydrophobicContact CD1-CD1 4.21Å; I1012-L1050 HydrophobicContact CD1-CD2 3.83Å; I1012-L1102 HydrophobicContact CG1-CD1 3.74Å; I1012-L1102 HydrophobicContact CG1-CD2 4.08Å |
| 1013 | I | 75.8 | Confident | 80.5 | Confident | 11 Ų | 11 | 35.9 Ų | 35.9 | 6% | 0.056 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.5 | -45.9 | 179.5 | -61.8 | 155.8 | 0 | 0 | 0 | 110.6 | Y1009 L1010 N1015 Q1016 M1017 F1032 V1331 | Y1009-I1013 WeakPolarHBondContact O-CD1 3.26Å; Y1009-I1013 WeakPolarHBondContact O-CG1 3.15Å; Y1009-I1013 PolarHBondContact O-N 3.45Å; Y1009-I1013 VanDerWaalsContact O-N 3.12Å; L1010-I1013 PolarHBondContact O-N 3.06Å; I1013-N1015 VanDerWaalsContact C-N 3.27Å; I1013-N1015 PolarHBondContact O-N 2.84Å; I1013-Q1016 PolarHBondContact O-N 2.87Å; I1013-Q1016 VanDerWaalsContact O-N 3.12Å; I1013-M1017 HydrophobicContact CG2-CG 4.2Å; I1013-M1017 HydrophobicContact CG2-SD 3.99Å; I1013-M1017 WeakPolarHBondContact O-CG 3.3Å; I1013-M1017 PolarHBondContact O-N 2.88Å; I1013-F1032 HydrophobicContact CD1-CZ 4.05Å; I1013-F1032 HydrophobicContact CG1-CE2 4.36Å; I1013-F1032 HydrophobicContact CG1-CZ 4.17Å; I1013-V1331 HydrophobicContact CD1-CB 4.38Å; I1013-V1331 HydrophobicContact CD1-CG2 3.78Å |
| 1014 | F | 79.5 | Confident | 80.4 | Confident | 91 Ų | 91 | 34.3 Ų | 34.3 | 40% | 0.399 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -58.6 | -39.8 | 174.9 | -68.3 | -26.4 | 0 | 0 | 0 | 112 | L1010 Q1016 M1017 F1018 | L1010-F1014 WeakPolarHBondContact O-CG 3.13Å; L1010-F1014 PolarHBondContact O-N 3.45Å; F1014-Q1016 VanDerWaalsContact C-N 3.33Å; F1014-Q1016 PolarHBondContact O-N 3.18Å; F1014-M1017 HydrophobicContact CD1-SD 4.13Å; F1014-M1017 PolarHBondContact O-N 3.1Å; F1014-F1018 HydrophobicContact CB-CD2 4.49Å; F1014-F1018 HydrophobicContact CB-CE2 4.46Å; F1014-F1018 WeakPolarHBondContact O-CD2 3.27Å; F1014-F1018 PolarHBondContact O-N 2.92Å; F1014-F1018 VanDerWaalsContact O-N 3.09Å |
| 1015 | N | 83.3 | Confident | 80.1 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.4 | -42.8 | 175.8 | -165.2 | 46.8 | 0 | 0 | 0 | 112.2 | M1011 I1012 I1013 N1019 F1098 D1099 L1102 | M1011-N1015 WeakPolarHBondContact O-CB 3.37Å; M1011-N1015 PolarHBondContact O-N 2.91Å; I1012-N1015 WeakPolarHBondContact O-CB 3.43Å; I1012-N1015 PolarHBondContact O-N 3.25Å; I1013-N1015 VanDerWaalsContact C-N 3.27Å; I1013-N1015 PolarHBondContact O-N 2.84Å; N1015-N1019 WeakPolarHBondContact O-CB 3.4Å; N1015-N1019 PolarHBondContact O-N 3.43Å; N1015-N1019 VanDerWaalsContact O-N 3.12Å; N1015-N1019 PolarHBondContact OD1-ND2 3.47Å; N1015-F1098 WeakPolarHBondContact OD1-CB 3.41Å; N1015-D1099 PolarHBondContact ND2-OD1 3.23Å; N1015-D1099 PolarHBondContact OD1-OD1 3.29Å; N1015-L1102 HydrophobicContact CB-CD2 4.44Å |
| 1016 | Q | 80.8 | Confident | 80.3 | Confident | 38 Ų | 38 | 34.1 Ų | 34.1 | 18% | 0.178 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68 | -39.1 | 176.7 | -177.7 | 60.8 | 19.5 | 0 | 0 | 112.2 | I1012 I1013 F1014 A1020 S1024 P1028 | I1012-Q1016 PolarHBondContact O-N 2.85Å; I1012-Q1016 VanDerWaalsContact O-N 3.1Å; I1013-Q1016 PolarHBondContact O-N 2.87Å; I1013-Q1016 VanDerWaalsContact O-N 3.12Å; F1014-Q1016 VanDerWaalsContact C-N 3.33Å; F1014-Q1016 PolarHBondContact O-N 3.18Å; Q1016-A1020 WeakPolarHBondContact O-CA 3.44Å; Q1016-A1020 PolarHBondContact O-N 2.63Å; Q1016-S1024 VanDerWaalsContact OE1-CB 3.28Å; Q1016-S1024 PolarHBondContact OE1-O 3.46Å; Q1016-S1024 PolarHBondContact OE1-OG 3.36Å; Q1016-P1028 HydrophobicContact CB-CG 4.43Å; Q1016-P1028 HydrophobicContact CG-CG 4.29Å |
| 1017 | M | 69.2 | Low | 80.4 | Confident | 53 Ų | 53 | 33 Ų | 33 | 26% | 0.261 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.8 | -44.8 | 178.9 | -72.5 | 178.2 | 66.9 | 0 | 0 | 112.3 | I1013 F1014 P1324 | I1013-M1017 HydrophobicContact CG2-CG 4.2Å; I1013-M1017 HydrophobicContact CG2-SD 3.99Å; I1013-M1017 WeakPolarHBondContact O-CG 3.3Å; I1013-M1017 PolarHBondContact O-N 2.88Å; F1014-M1017 HydrophobicContact CD1-SD 4.13Å; F1014-M1017 PolarHBondContact O-N 3.1Å; M1017-P1324 HydrophobicContact CG-CB 4.17Å |
| 1018 | F | 71 | Confident | 80.3 | Confident | 100 Ų | 100 | 30.8 Ų | 30.8 | 44% | 0.439 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -84.9 | -35.9 | -175 | -72.1 | -66.1 | 0 | 0 | 0 | 114.5 | F1014 F1098 | F1014-F1018 HydrophobicContact CB-CD2 4.49Å; F1014-F1018 HydrophobicContact CB-CE2 4.46Å; F1014-F1018 WeakPolarHBondContact O-CD2 3.27Å; F1014-F1018 PolarHBondContact O-N 2.92Å; F1014-F1018 VanDerWaalsContact O-N 3.09Å; F1018-F1098 HydrophobicContact CB-CD2 3.84Å; F1018-F1098 HydrophobicContact CB-CE2 3.68Å; F1018-F1098 HydrophobicContact CB-CZ 4.3Å; F1018-F1098 HydrophobicContact CD1-CE2 4.16Å; F1018-F1098 HydrophobicContact CD1-CZ 4.23Å; F1018-F1098 HydrophobicContact CD2-CD1 4.04Å; F1018-F1098 HydrophobicContact CD2-CD2 4.06Å; F1018-F1098 AromaticContact CD2-CE1 3.5Å; F1018-F1098 HydrophobicContact CD2-CE1 3.5Å; F1018-F1098 VanDerWaalsContact CD2-CE1 3.5Å; F1018-F1098 AromaticContact CD2-CE2 3.51Å; F1018-F1098 HydrophobicContact CD2-CE2 3.51Å; F1018-F1098 HydrophobicContact CD2-CG 4.3Å; F1018-F1098 AromaticContact CD2-CZ 3.2Å; F1018-F1098 HydrophobicContact CD2-CZ 3.2Å; F1018-F1098 HydrophobicContact CE1-CZ 4.41Å; F1018-F1098 AromaticContact CE2-CE1 3.66Å; F1018-F1098 HydrophobicContact CE2-CE1 3.66Å; F1018-F1098 HydrophobicContact CE2-CE2 4.19Å; F1018-F1098 AromaticContact CE2-CZ 3.44Å; F1018-F1098 HydrophobicContact CE2-CZ 3.44Å; F1018-F1098 VanDerWaalsContact CE2-CZ 3.44Å; F1018-F1098 HydrophobicContact CG-CD2 4.1Å; F1018-F1098 HydrophobicContact CG-CE1 4.35Å; F1018-F1098 AromaticContact CG-CE2 3.51Å; F1018-F1098 HydrophobicContact CG-CE2 3.51Å; F1018-F1098 AromaticContact CG-CZ 3.65Å; F1018-F1098 HydrophobicContact CG-CZ 3.65Å; F1018-F1098 HydrophobicContact CZ-CZ 4.06Å |
| 1019 | N | 70.5 | Confident | 80.1 | Confident | 49 Ų | 49 | 32.9 Ų | 32.9 | 26% | 0.262 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -84.6 | -31.2 | -179.4 | -74.1 | -32.1 | 0 | 0 | 0 | 112.7 | N1015 S1021 K1061 D1099 | N1015-N1019 WeakPolarHBondContact O-CB 3.4Å; N1015-N1019 PolarHBondContact O-N 3.43Å; N1015-N1019 VanDerWaalsContact O-N 3.12Å; N1015-N1019 PolarHBondContact OD1-ND2 3.47Å; N1019-S1021 VanDerWaalsContact C-N 3.27Å; N1019-S1021 PolarHBondContact O-N 3.44Å; N1019-K1061 PolarHBondContact ND2-NZ 2.84Å; N1019-D1099 PolarHBondContact ND2-OD1 3.4Å |
| 1020 | A | 68.6 | Low | 80.2 | Confident | 41 Ų | 41 | 35.5 Ų | 35.5 | 34% | 0.339 | 18% | 0.181 | S | C | . | . | trans | 38.3 | 54.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q1016 | Q1016-A1020 WeakPolarHBondContact O-CA 3.44Å; Q1016-A1020 PolarHBondContact O-N 2.63Å | ||
| 1021 | S | 73.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -124.1 | 154.1 | -177.4 | 77.4 | 0 | 0 | 0 | 0 | 113.1 | N1019 I1023 S1024 L1025 | N1019-S1021 VanDerWaalsContact C-N 3.27Å; N1019-S1021 PolarHBondContact O-N 3.44Å; S1021-I1023 PolarHBondContact O-N 3.33Å; S1021-S1024 PolarHBondContact O-N 3.4Å; S1021-S1024 VanDerWaalsContact O-N 3.14Å; S1021-S1024 PolarHBondContact O-OG 3.39Å; S1021-S1024 PolarHBondContact OG-N 2.89Å; S1021-S1024 PolarHBondContact OG-OG 3.42Å; S1021-L1025 PolarHBondContact O-N 2.86Å | ||
| 1022 | V | 81 | Confident | 80.2 | Confident | 57 Ų | 57 | 31 Ų | 31 | 35% | 0.345 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -32.9 | 176.4 | 178 | 0 | 0 | 0 | 0 | 111.3 | L1025 P1026 I1086 E1301 | V1022-L1025 WeakPolarHBondContact O-CB 3.44Å; V1022-L1025 PolarHBondContact O-N 3.24Å; V1022-P1026 WeakPolarHBondContact O-CD 3.24Å; V1022-I1086 HydrophobicContact CG2-CG2 3.62Å; V1022-I1086 PolarHBondContact N-O 3.37Å; V1022-I1086 VanDerWaalsContact N-O 3.12Å; V1022-E1301 WeakPolarHBondContact CG2-OE1 3.46Å; V1022-E1301 PolarHBondContact N-OE1 2.88Å |
| 1023 | I | 83.8 | Confident | 80 | Confident | 29 Ų | 29 | 32.4 Ų | 32.4 | 15% | 0.149 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -26.3 | -179.7 | -57.1 | 176.9 | 0 | 0 | 0 | 111.6 | S1021 Y1053 M1057 L1087 V1089 | S1021-I1023 PolarHBondContact O-N 3.33Å; I1023-Y1053 PolarHBondContact O-OH 2.82Å; I1023-M1057 HydrophobicContact CG2-CB 4.22Å; I1023-M1057 HydrophobicContact CG2-CG 3.6Å; I1023-M1057 HydrophobicContact CG2-SD 3.84Å; I1023-L1087 HydrophobicContact CD1-CB 4.33Å; I1023-L1087 WeakPolarHBondContact CD1-O 3.46Å; I1023-L1087 WeakPolarHBondContact CG1-O 3.19Å; I1023-V1089 HydrophobicContact CD1-CG2 3.81Å |
| 1024 | S | 82.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -17 | 175.5 | 55.6 | 0 | 0 | 0 | 0 | 113.4 | Q1016 S1021 L1027 P1028 | Q1016-S1024 VanDerWaalsContact OE1-CB 3.28Å; Q1016-S1024 PolarHBondContact OE1-O 3.46Å; Q1016-S1024 PolarHBondContact OE1-OG 3.36Å; S1021-S1024 PolarHBondContact O-N 3.4Å; S1021-S1024 VanDerWaalsContact O-N 3.14Å; S1021-S1024 PolarHBondContact O-OG 3.39Å; S1021-S1024 PolarHBondContact OG-N 2.89Å; S1021-S1024 PolarHBondContact OG-OG 3.42Å; S1024-L1027 WeakPolarHBondContact O-CB 3.28Å; S1024-L1027 PolarHBondContact O-N 2.89Å; S1024-P1028 VanDerWaalsContact O-CD 3.31Å; S1024-P1028 WeakPolarHBondContact O-CD 3.34Å |
| 1025 | L | 81.5 | Confident | 80.4 | Confident | 25 Ų | 25 | 30.9 Ų | 30.9 | 13% | 0.131 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -31.7 | -172.6 | -175.8 | 148.7 | 0 | 0 | 0 | 115.5 | S1021 V1022 L1027 P1028 F1029 | S1021-L1025 PolarHBondContact O-N 2.86Å; V1022-L1025 WeakPolarHBondContact O-CB 3.44Å; V1022-L1025 PolarHBondContact O-N 3.24Å; L1025-L1027 VanDerWaalsContact C-N 3.26Å; L1025-L1027 PolarHBondContact O-N 2.97Å; L1025-P1028 WeakPolarHBondContact O-CD 3.44Å; L1025-P1028 WeakPolarHBondContact O-CG 3.18Å; L1025-F1029 HydrophobicContact CD2-CD2 3.71Å; L1025-F1029 HydrophobicContact CD2-CE1 4.35Å; L1025-F1029 HydrophobicContact CD2-CE2 3.1Å; L1025-F1029 HydrophobicContact CD2-CZ 3.48Å; L1025-F1029 VanDerWaalsContact CD2-CZ 3.48Å; L1025-F1029 HydrophobicContact CG-CE2 4.26Å; L1025-F1029 HydrophobicContact CG-CZ 4.26Å |
| 1026 | P | 88.2 | Confident | 80.2 | Confident | 33 Ų | 33 | 32.6 Ų | 32.6 | 21% | 0.214 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.6 | -23.4 | 174.4 | -30.2 | 41.3 | 0 | 0 | 0 | 114.9 | V1022 F1029 F1030 Y1053 | V1022-P1026 WeakPolarHBondContact O-CD 3.24Å; P1026-F1029 PolarHBondContact O-N 3.41Å; P1026-F1030 HydrophobicContact CB-CE2 4.33Å; P1026-F1030 WeakPolarHBondContact O-CD2 3.45Å; P1026-F1030 WeakPolarHBondContact O-CG 3.29Å; P1026-F1030 PolarHBondContact O-N 3.23Å; P1026-Y1053 HydrophobicContact CB-CE1 4.05Å; P1026-Y1053 HydrophobicContact CB-CE2 4.32Å; P1026-Y1053 WeakPolarHBondContact CD-OH 3.43Å; P1026-Y1053 HydrophobicContact CG-CE1 4.46Å; P1026-Y1053 WeakPolarHBondContact CG-OH 3.32Å |
| 1027 | L | 86.8 | Confident | 79.9 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.9 | -54.9 | 178.9 | -64.6 | 168 | 0 | 0 | 0 | 112.7 | I1012 S1024 L1025 F1029 F1030 A1031 L1050 Y1053 M1057 L1102 | I1012-L1027 HydrophobicContact CG2-CB 3.69Å; S1024-L1027 WeakPolarHBondContact O-CB 3.28Å; S1024-L1027 PolarHBondContact O-N 2.89Å; L1025-L1027 VanDerWaalsContact C-N 3.26Å; L1025-L1027 PolarHBondContact O-N 2.97Å; L1027-F1029 VanDerWaalsContact C-N 3.28Å; L1027-F1029 PolarHBondContact O-N 3.16Å; L1027-F1030 PolarHBondContact O-N 2.92Å; L1027-A1031 PolarHBondContact O-N 3.48Å; L1027-A1031 VanDerWaalsContact O-N 3.11Å; L1027-L1050 HydrophobicContact CD2-CD1 3.52Å; L1027-L1050 HydrophobicContact CD2-CG 4.48Å; L1027-Y1053 HydrophobicContact CD2-CD1 3.62Å; L1027-Y1053 HydrophobicContact CD2-CE1 4.17Å; L1027-Y1053 HydrophobicContact CG-CD1 4.02Å; L1027-Y1053 HydrophobicContact CG-CE1 4.04Å; L1027-M1057 HydrophobicContact CD1-CE 4.16Å; L1027-L1102 HydrophobicContact CD1-CD2 4.03Å |
| 1028 | P | 82.5 | Confident | 80.1 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.013 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.1 | -33.5 | 176.1 | 23.1 | -33.6 | 0 | 0 | 0 | 112.3 | I1012 Q1016 S1024 L1025 F1030 A1031 F1032 | I1012-P1028 HydrophobicContact CG2-CB 4.29Å; Q1016-P1028 HydrophobicContact CB-CG 4.43Å; Q1016-P1028 HydrophobicContact CG-CG 4.29Å; S1024-P1028 VanDerWaalsContact O-CD 3.31Å; S1024-P1028 WeakPolarHBondContact O-CD 3.34Å; L1025-P1028 WeakPolarHBondContact O-CD 3.44Å; L1025-P1028 WeakPolarHBondContact O-CG 3.18Å; P1028-F1030 PolarHBondContact O-N 3.3Å; P1028-A1031 WeakPolarHBondContact O-CB 3.31Å; P1028-A1031 PolarHBondContact O-N 3.18Å; P1028-A1031 VanDerWaalsContact O-N 3.15Å; P1028-F1032 HydrophobicContact CB-CD2 4.02Å; P1028-F1032 HydrophobicContact CB-CE2 3.97Å; P1028-F1032 WeakPolarHBondContact O-CD2 3.45Å; P1028-F1032 PolarHBondContact O-N 3.06Å |
| 1029 | F | 85.3 | Confident | 79.8 | Confident | 45 Ų | 45 | 30.4 Ų | 30.4 | 20% | 0.197 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.3 | -44.7 | 174.3 | -71.2 | -14.3 | 0 | 0 | 0 | 112.8 | L1025 P1026 L1027 A1031 L1033 V1293 L1294 H1297 | L1025-F1029 HydrophobicContact CD2-CD2 3.71Å; L1025-F1029 HydrophobicContact CD2-CE1 4.35Å; L1025-F1029 HydrophobicContact CD2-CE2 3.1Å; L1025-F1029 HydrophobicContact CD2-CZ 3.48Å; L1025-F1029 VanDerWaalsContact CD2-CZ 3.48Å; L1025-F1029 HydrophobicContact CG-CE2 4.26Å; L1025-F1029 HydrophobicContact CG-CZ 4.26Å; P1026-F1029 PolarHBondContact O-N 3.41Å; L1027-F1029 VanDerWaalsContact C-N 3.28Å; L1027-F1029 PolarHBondContact O-N 3.16Å; F1029-A1031 VanDerWaalsContact C-N 3.32Å; F1029-A1031 PolarHBondContact O-N 2.87Å; F1029-L1033 HydrophobicContact CB-CD1 4.5Å; F1029-L1033 VanDerWaalsContact O-CB 3.25Å; F1029-L1033 WeakPolarHBondContact O-CB 3.46Å; F1029-L1033 PolarHBondContact O-N 2.87Å; F1029-V1293 HydrophobicContact CD1-CG1 3.74Å; F1029-V1293 HydrophobicContact CE1-CG1 3.9Å; F1029-L1294 HydrophobicContact CE1-CD2 4.35Å; F1029-L1294 HydrophobicContact CE2-CD2 4.32Å; F1029-L1294 HydrophobicContact CZ-CD2 4.04Å; F1029-H1297 AromaticContact CD1-CD2 3.78Å; F1029-H1297 HydrophobicContact CE1-CB 3.57Å; F1029-H1297 AromaticContact CE1-CD2 3.35Å; F1029-H1297 WeakPolarHBondContact CE1-CD2 3.44Å; F1029-H1297 AromaticContact CE1-CG 3.72Å; F1029-H1297 HydrophobicContact CZ-CB 3.81Å |
| 1030 | F | 88.1 | Confident | 79.6 | Confident | 68 Ų | 68 | 32.3 Ų | 32.3 | 30% | 0.298 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.9 | -41.3 | 173.7 | -64.2 | -34.5 | 0 | 0 | 0 | 111.7 | P1026 L1027 P1028 W1034 G1035 F1046 L1050 Y1053 | P1026-F1030 HydrophobicContact CB-CE2 4.33Å; P1026-F1030 WeakPolarHBondContact O-CD2 3.45Å; P1026-F1030 WeakPolarHBondContact O-CG 3.29Å; P1026-F1030 PolarHBondContact O-N 3.23Å; L1027-F1030 PolarHBondContact O-N 2.92Å; P1028-F1030 PolarHBondContact O-N 3.3Å; F1030-W1034 WeakPolarHBondContact O-CB 3.29Å; F1030-W1034 PolarHBondContact O-N 3.47Å; F1030-G1035 PolarHBondContact O-N 3.47Å; F1030-F1046 HydrophobicContact CB-CE2 4.1Å; F1030-F1046 WeakPolarHBondContact O-CE2 3.37Å; F1030-L1050 HydrophobicContact CD2-CD1 4.46Å; F1030-Y1053 HydrophobicContact CE2-CG 4.36Å |
| 1031 | A | 84.8 | Confident | 79.7 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 3% | 0.025 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -61.1 | -51.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y1009 I1012 L1027 P1028 F1029 G1035 T1036 | Y1009-A1031 HydrophobicContact CD1-CB 3.71Å; Y1009-A1031 HydrophobicContact CE1-CB 3.96Å; I1012-A1031 HydrophobicContact CD1-CB 4.24Å; L1027-A1031 PolarHBondContact O-N 3.48Å; L1027-A1031 VanDerWaalsContact O-N 3.11Å; P1028-A1031 WeakPolarHBondContact O-CB 3.31Å; P1028-A1031 PolarHBondContact O-N 3.18Å; P1028-A1031 VanDerWaalsContact O-N 3.15Å; F1029-A1031 VanDerWaalsContact C-N 3.32Å; F1029-A1031 PolarHBondContact O-N 2.87Å; A1031-G1035 CarbonylContact O-C 3.55Å; A1031-G1035 WeakPolarHBondContact O-CA 3.23Å; A1031-G1035 PolarHBondContact O-N 2.98Å; A1031-G1035 VanDerWaalsContact O-N 3.16Å; A1031-T1036 PolarHBondContact O-N 2.99Å; A1031-T1036 PolarHBondContact O-OG1 2.96Å |
| 1032 | F | 81.5 | Confident | 79.9 | Confident | 5 Ų | 5 | 35.8 Ų | 35.8 | 2% | 0.022 | 19% | 0.19 | C | C | . | . | I | π-helix | trans | -85.2 | -29.8 | -170.9 | -68 | -65.6 | 0 | 0 | 0 | 115.3 | I1013 P1028 T1036 V1293 L1327 V1331 | I1013-F1032 HydrophobicContact CD1-CZ 4.05Å; I1013-F1032 HydrophobicContact CG1-CE2 4.36Å; I1013-F1032 HydrophobicContact CG1-CZ 4.17Å; P1028-F1032 HydrophobicContact CB-CD2 4.02Å; P1028-F1032 HydrophobicContact CB-CE2 3.97Å; P1028-F1032 WeakPolarHBondContact O-CD2 3.45Å; P1028-F1032 PolarHBondContact O-N 3.06Å; F1032-T1036 PolarHBondContact O-OG1 3.34Å; F1032-V1293 HydrophobicContact CB-CG1 4.35Å; F1032-V1293 HydrophobicContact CB-CG2 4.01Å; F1032-L1327 HydrophobicContact CD1-CD2 4.31Å; F1032-L1327 HydrophobicContact CD1-CG 3.99Å; F1032-L1327 HydrophobicContact CD2-CD2 3.19Å; F1032-L1327 HydrophobicContact CD2-CG 3.75Å; F1032-L1327 HydrophobicContact CE1-CD2 4.27Å; F1032-L1327 HydrophobicContact CE1-CG 3.71Å; F1032-L1327 VanDerWaalsContact CE1-O 3.23Å; F1032-L1327 WeakPolarHBondContact CE1-O 3.28Å; F1032-L1327 HydrophobicContact CE2-CB 4.23Å; F1032-L1327 HydrophobicContact CE2-CD2 3.22Å; F1032-L1327 HydrophobicContact CE2-CG 3.53Å; F1032-L1327 HydrophobicContact CG-CD2 3.8Å; F1032-L1327 HydrophobicContact CG-CG 4Å; F1032-L1327 HydrophobicContact CZ-CB 4.03Å; F1032-L1327 HydrophobicContact CZ-CD2 3.79Å; F1032-L1327 HydrophobicContact CZ-CG 3.5Å; F1032-L1327 VanDerWaalsContact CZ-O 3.23Å; F1032-L1327 WeakPolarHBondContact CZ-O 3.37Å; F1032-V1331 HydrophobicContact CD1-CG2 4.3Å; F1032-V1331 HydrophobicContact CE1-CG2 3.2Å; F1032-V1331 HydrophobicContact CZ-CG2 3.49Å; F1032-V1331 VanDerWaalsContact CZ-CG2 3.49Å |
| 1033 | L | 81.7 | Confident | 79.8 | Confident | 29 Ų | 29 | 35.6 Ų | 35.6 | 15% | 0.152 | 19% | 0.19 | C | C | . | . | I | π-helix | trans | -100.6 | -6.3 | -176.8 | -56.1 | -179.3 | 0 | 0 | 0 | 113.2 | F1029 L1037 Y1290 V1293 L1294 | F1029-L1033 HydrophobicContact CB-CD1 4.5Å; F1029-L1033 VanDerWaalsContact O-CB 3.25Å; F1029-L1033 WeakPolarHBondContact O-CB 3.46Å; F1029-L1033 PolarHBondContact O-N 2.87Å; L1033-L1037 WeakPolarHBondContact O-CD1 3.35Å; L1033-Y1290 HydrophobicContact CB-CE1 3.97Å; L1033-Y1290 HydrophobicContact CD1-CD1 4.08Å; L1033-Y1290 HydrophobicContact CD1-CE1 4.05Å; L1033-Y1290 HydrophobicContact CD2-CD1 3.6Å; L1033-Y1290 HydrophobicContact CD2-CD2 4.49Å; L1033-Y1290 HydrophobicContact CD2-CE1 3.74Å; L1033-Y1290 HydrophobicContact CD2-CG 4Å; L1033-Y1290 HydrophobicContact CG-CD1 4.32Å; L1033-Y1290 HydrophobicContact CG-CE1 4.13Å; L1033-Y1290 PolarHBondContact O-OH 3.42Å; L1033-V1293 HydrophobicContact CD1-CG1 4.25Å; L1033-V1293 HydrophobicContact CD2-CB 3.92Å; L1033-V1293 HydrophobicContact CD2-CG1 3.96Å; L1033-V1293 HydrophobicContact CD2-CG2 3.99Å; L1033-V1293 HydrophobicContact CG-CG1 4.03Å; L1033-L1294 HydrophobicContact CD1-CD2 4.48Å |
| 1034 | W | 83.1 | Confident | 79.8 | Confident | 69 Ų | 69 | 37.5 Ų | 37.5 | 26% | 0.261 | 20% | 0.197 | S | C | . | . | I | π-helix | trans | -137 | -53.9 | 178 | -173.1 | 15.3 | 0 | 0 | 0 | 112.2 | F1030 L1037 C1038 P1043 V1045 F1046 T1049 | F1030-W1034 WeakPolarHBondContact O-CB 3.29Å; F1030-W1034 PolarHBondContact O-N 3.47Å; W1034-L1037 PolarHBondContact O-N 3.4Å; W1034-C1038 PolarHBondContact O-N 3.28Å; W1034-C1038 PolarHBondContact O-SG 3.2Å; W1034-P1043 HydrophobicContact CZ2-CG 4.34Å; W1034-V1045 HydrophobicContact CH2-CB 4.5Å; W1034-V1045 HydrophobicContact CH2-CG1 4.05Å; W1034-V1045 HydrophobicContact CZ2-CG1 4.45Å; W1034-F1046 HydrophobicContact CD2-CB 4.32Å; W1034-F1046 AromaticContact CD2-CD2 3.93Å; W1034-F1046 HydrophobicContact CD2-CD2 3.93Å; W1034-F1046 HydrophobicContact CE3-CB 4.44Å; W1034-F1046 AromaticContact CE3-CD2 3.81Å; W1034-F1046 HydrophobicContact CE3-CD2 3.81Å; W1034-F1046 HydrophobicContact CG-CD2 4.25Å; W1034-F1046 HydrophobicContact CH2-CB 4.23Å; W1034-F1046 HydrophobicContact CZ2-CB 4.09Å; W1034-F1046 HydrophobicContact CZ3-CB 4.4Å; W1034-F1046 HydrophobicContact CZ3-CD2 4.35Å; W1034-T1049 HydrophobicContact CH2-CG2 4.43Å; W1034-T1049 HydrophobicContact CZ3-CG2 4.4Å; W1034-T1049 WeakPolarHBondContact CZ3-OG1 3.43Å |
| 1035 | G | 80.8 | Confident | 80 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -57.9 | -59.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | F1030 A1031 L1037 C1038 | F1030-G1035 PolarHBondContact O-N 3.47Å; A1031-G1035 CarbonylContact O-C 3.55Å; A1031-G1035 WeakPolarHBondContact O-CA 3.23Å; A1031-G1035 PolarHBondContact O-N 2.98Å; A1031-G1035 VanDerWaalsContact O-N 3.16Å; G1035-L1037 VanDerWaalsContact C-N 3.27Å; G1035-L1037 PolarHBondContact O-N 3.46Å; G1035-C1038 PolarHBondContact O-N 3.02Å |
| 1036 | T | 77.8 | Confident | 80.3 | Confident | 35 Ų | 35 | 39.5 Ų | 39.5 | 22% | 0.215 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -14.7 | -176 | 57.5 | 0 | 0 | 0 | 0 | 114.1 | Y1009 A1031 F1032 | Y1009-T1036 HydrophobicContact CE2-CG2 4.42Å; A1031-T1036 PolarHBondContact O-N 2.99Å; A1031-T1036 PolarHBondContact O-OG1 2.96Å; F1032-T1036 PolarHBondContact O-OG1 3.34Å |
| 1037 | L | 75.4 | Confident | 80.5 | Confident | 31 Ų | 31 | 38.2 Ų | 38.2 | 16% | 0.162 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -14.1 | 180 | -68.5 | 176.6 | 0 | 0 | 0 | 113.4 | L1033 W1034 G1035 F1200 L1286 Y1290 | L1033-L1037 WeakPolarHBondContact O-CD1 3.35Å; W1034-L1037 PolarHBondContact O-N 3.4Å; G1035-L1037 VanDerWaalsContact C-N 3.27Å; G1035-L1037 PolarHBondContact O-N 3.46Å; L1037-F1200 HydrophobicContact CB-CZ 4.22Å; L1037-L1286 HydrophobicContact CD1-CD1 3.88Å; L1037-L1286 HydrophobicContact CD2-CD1 3.74Å; L1037-L1286 HydrophobicContact CG-CD1 4.47Å; L1037-Y1290 HydrophobicContact CD1-CE2 4.1Å |
| 1038 | C | 73.1 | Confident | 80.7 | Confident | 19 Ų | 19 | 40.1 Ų | 40.1 | 13% | 0.128 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -77.8 | 119.5 | 179.1 | -74 | 0 | 0 | 0 | 0 | 111.8 | W1034 G1035 P1043 | W1034-C1038 PolarHBondContact O-N 3.28Å; W1034-C1038 PolarHBondContact O-SG 3.2Å; G1035-C1038 PolarHBondContact O-N 3.02Å; C1038-P1043 VanDerWaalsContact SG-CD 3.53Å |
| 1039 | T | 65.4 | Low | 81.1 | Confident | 95 Ų | 95 | 42 Ų | 42 | 58% | 0.583 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -99.5 | 138.8 | 172.6 | 55.6 | 0 | 0 | 0 | 0 | 111.3 | ||
| 1040 | P | 66.2 | Low | 81.4 | Confident | 90 Ų | 90 | 39.9 Ų | 39.9 | 58% | 0.584 | 22% | 0.215 | S | C | * | . | S | Bend | cis | -80.8 | -11.9 | -13.4 | 33.4 | -35 | 0 | 0 | 0 | 114 | ||
| 1041 | R | 70.4 | Confident | 81.6 | Confident | 94 Ų | 94 | 36.7 Ų | 36.7 | 36% | 0.355 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -148.3 | 155.8 | -179.4 | 65.8 | -179.2 | -176.9 | -120.7 | 0.5 | 112.5 | D745 | D745-R1041 IonicContact OD1-NH1 2.8Å; D745-R1041 PolarHBondContact OD1-NH1 2.82Å; D745-R1041 VanDerWaalsContact OD1-NH1 3.16Å |
| 1042 | P | 77.8 | Confident | 81.9 | Confident | 20 Ų | 20 | 39.6 Ų | 39.6 | 13% | 0.13 | 22% | 0.218 | C | C | . | . | trans | -64.2 | 141.5 | 175.2 | -17.4 | 28.3 | 0 | 0 | 0 | 112.4 | Y1009 F1046 W1047 | Y1009-P1042 WeakPolarHBondContact OH-CG 3.37Å; P1042-F1046 HydrophobicContact CB-CB 4.3Å; P1042-F1046 HydrophobicContact CB-CD1 3.47Å; P1042-F1046 VanDerWaalsContact CB-CD1 3.47Å; P1042-F1046 HydrophobicContact CB-CE1 4.09Å; P1042-F1046 HydrophobicContact CB-CG 4.06Å; P1042-F1046 HydrophobicContact CG-CD1 4.26Å; P1042-F1046 HydrophobicContact CG-CE1 4.41Å; P1042-W1047 HydrophobicContact CG-CZ2 4.12Å | ||
| 1043 | P | 78.7 | Confident | 82.5 | Confident | 53 Ų | 53 | 42.1 Ų | 42.1 | 34% | 0.344 | 23% | 0.228 | S | C | . | . | trans | -68.9 | 157.9 | 178.2 | 29 | -35 | 0 | 0 | 0 | 111.6 | W1034 C1038 V1045 F1046 | W1034-P1043 HydrophobicContact CZ2-CG 4.34Å; C1038-P1043 VanDerWaalsContact SG-CD 3.53Å; P1043-V1045 PolarHBondContact O-N 3.18Å; P1043-V1045 VanDerWaalsContact O-N 3.13Å; P1043-F1046 HydrophobicContact CG-CB 4.14Å; P1043-F1046 WeakPolarHBondContact O-CB 3.48Å; P1043-F1046 PolarHBondContact O-N 2.93Å | ||
| 1044 | K | 84.6 | Confident | 83 | Confident | 68 Ų | 68 | 40.8 Ų | 40.8 | 30% | 0.296 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -50.4 | -38.9 | 173 | 175.9 | -165.8 | 169.2 | -163.8 | 0 | 112.6 | F1046 W1047 V1048 W1119 E1121 | K1044-F1046 VanDerWaalsContact C-N 3.29Å; K1044-F1046 PolarHBondContact O-N 3.34Å; K1044-W1047 PolarHBondContact O-N 2.98Å; K1044-V1048 HydrophobicContact CG-CG2 4.17Å; K1044-V1048 WeakPolarHBondContact O-CG2 3.44Å; K1044-V1048 PolarHBondContact O-N 2.9Å; K1044-W1119 WeakPolarHBondContact CD-O 3.41Å; K1044-W1119 HydrophobicContact CG-CD2 4.15Å; K1044-W1119 HydrophobicContact CG-CZ2 4.02Å; K1044-E1121 HydrophobicContact CD-CG 3.91Å; K1044-E1121 IonicContact NZ-OE1 3.88Å; K1044-E1121 IonicContact NZ-OE2 3.16Å; K1044-E1121 PolarHBondContact NZ-OE2 3.4Å |
| 1045 | V | 86.2 | Confident | 83.4 | Confident | 68 Ų | 68 | 38.5 Ų | 38.5 | 41% | 0.412 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -57.4 | -41.8 | 179.9 | -173.5 | 0 | 0 | 0 | 0 | 111.3 | W1034 P1043 V1048 T1049 | W1034-V1045 HydrophobicContact CH2-CB 4.5Å; W1034-V1045 HydrophobicContact CH2-CG1 4.05Å; W1034-V1045 HydrophobicContact CZ2-CG1 4.45Å; P1043-V1045 PolarHBondContact O-N 3.18Å; P1043-V1045 VanDerWaalsContact O-N 3.13Å; V1045-V1048 PolarHBondContact O-N 2.95Å; V1045-T1049 HydrophobicContact CG1-CG2 4.33Å; V1045-T1049 WeakPolarHBondContact O-CG2 3.48Å; V1045-T1049 PolarHBondContact O-N 3.46Å; V1045-T1049 PolarHBondContact O-OG1 3.27Å; V1045-T1049 VanDerWaalsContact O-OG1 3.13Å |
| 1046 | F | 88.1 | Confident | 83.9 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.4 | -53.5 | 177.3 | 163.8 | -100.5 | 0 | 0 | 0 | 111.3 | Y1009 F1030 W1034 P1042 P1043 K1044 V1048 T1049 L1050 | Y1009-F1046 HydrophobicContact CE1-CE1 4.32Å; Y1009-F1046 HydrophobicContact CE1-CZ 4.01Å; F1030-F1046 HydrophobicContact CB-CE2 4.1Å; F1030-F1046 WeakPolarHBondContact O-CE2 3.37Å; W1034-F1046 HydrophobicContact CD2-CB 4.32Å; W1034-F1046 AromaticContact CD2-CD2 3.93Å; W1034-F1046 HydrophobicContact CD2-CD2 3.93Å; W1034-F1046 HydrophobicContact CE3-CB 4.44Å; W1034-F1046 AromaticContact CE3-CD2 3.81Å; W1034-F1046 HydrophobicContact CE3-CD2 3.81Å; W1034-F1046 HydrophobicContact CG-CD2 4.25Å; W1034-F1046 HydrophobicContact CH2-CB 4.23Å; W1034-F1046 HydrophobicContact CZ2-CB 4.09Å; W1034-F1046 HydrophobicContact CZ3-CB 4.4Å; W1034-F1046 HydrophobicContact CZ3-CD2 4.35Å; P1042-F1046 HydrophobicContact CB-CB 4.3Å; P1042-F1046 HydrophobicContact CB-CD1 3.47Å; P1042-F1046 VanDerWaalsContact CB-CD1 3.47Å; P1042-F1046 HydrophobicContact CB-CE1 4.09Å; P1042-F1046 HydrophobicContact CB-CG 4.06Å; P1042-F1046 HydrophobicContact CG-CD1 4.26Å; P1042-F1046 HydrophobicContact CG-CE1 4.41Å; P1043-F1046 HydrophobicContact CG-CB 4.14Å; P1043-F1046 WeakPolarHBondContact O-CB 3.48Å; P1043-F1046 PolarHBondContact O-N 2.93Å; K1044-F1046 VanDerWaalsContact C-N 3.29Å; K1044-F1046 PolarHBondContact O-N 3.34Å; F1046-V1048 VanDerWaalsContact C-N 3.34Å; F1046-V1048 PolarHBondContact O-N 3.41Å; F1046-T1049 PolarHBondContact O-N 3.12Å; F1046-T1049 PolarHBondContact O-OG1 2.7Å; F1046-L1050 HydrophobicContact CZ-CD2 4.3Å; F1046-L1050 WeakPolarHBondContact O-CB 3.33Å; F1046-L1050 PolarHBondContact O-N 3.29Å |
| 1047 | W | 91.6 | Very high | 84.4 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 2% | 0.023 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.2 | -37.7 | -179.7 | -64.8 | 111.8 | 0 | 0 | 0 | 113 | D1005 C1008 Y1009 P1042 K1044 L1050 I1051 L1106 H1109 W1119 | D1005-W1047 HydrophobicContact CB-CH2 4.34Å; D1005-W1047 HydrophobicContact CB-CZ2 4.27Å; C1008-W1047 HydrophobicContact CB-CH2 4.06Å; C1008-W1047 HydrophobicContact CB-CZ3 3.87Å; Y1009-W1047 HydrophobicContact CE1-CH2 4.42Å; P1042-W1047 HydrophobicContact CG-CZ2 4.12Å; K1044-W1047 PolarHBondContact O-N 2.98Å; W1047-L1050 HydrophobicContact CE3-CD2 4.07Å; W1047-L1050 HydrophobicContact CZ3-CD2 4.05Å; W1047-L1050 PolarHBondContact O-N 3.07Å; W1047-I1051 VanDerWaalsContact O-CG1 3.31Å; W1047-I1051 WeakPolarHBondContact O-CG1 3.45Å; W1047-I1051 PolarHBondContact O-N 3.5Å; W1047-L1106 HydrophobicContact CE3-CD2 3.91Å; W1047-L1106 HydrophobicContact CZ3-CD2 3.77Å; W1047-H1109 AromaticContact CD2-CD2 3.69Å; W1047-H1109 AromaticContact CD2-NE2 3.76Å; W1047-H1109 AromaticContact CE2-CD2 3.62Å; W1047-H1109 AromaticContact CE2-NE2 3.18Å; W1047-H1109 AromaticContact CE3-CD2 3.74Å; W1047-H1109 AromaticContact CH2-CD2 3.7Å; W1047-H1109 AromaticContact CH2-NE2 3.6Å; W1047-H1109 AromaticContact CZ2-CD2 3.65Å; W1047-H1109 AromaticContact CZ2-NE2 3.11Å; W1047-H1109 WeakPolarHBondContact CZ2-NE2 3.08Å; W1047-H1109 AromaticContact CZ3-CD2 3.74Å; W1047-H1109 AromaticContact NE1-NE2 3.61Å; W1047-W1119 HydrophobicContact CB-CH2 3.64Å; W1047-W1119 HydrophobicContact CB-CZ3 3.6Å; W1047-W1119 HydrophobicContact CG-CZ3 4.13Å |
| 1048 | V | 91.3 | Very high | 85 | Confident | 40 Ų | 40 | 37.9 Ų | 37.9 | 24% | 0.242 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62 | -47.2 | 174.6 | 166.1 | 0 | 0 | 0 | 0 | 110.7 | W613 K1044 V1045 F1046 L1050 I1051 T1052 W1119 | W613-V1048 HydrophobicContact CH2-CG1 4.06Å; W613-V1048 HydrophobicContact CH2-CG2 4.46Å; K1044-V1048 HydrophobicContact CG-CG2 4.17Å; K1044-V1048 WeakPolarHBondContact O-CG2 3.44Å; K1044-V1048 PolarHBondContact O-N 2.9Å; V1045-V1048 PolarHBondContact O-N 2.95Å; F1046-V1048 VanDerWaalsContact C-N 3.34Å; F1046-V1048 PolarHBondContact O-N 3.41Å; V1048-L1050 VanDerWaalsContact C-N 3.31Å; V1048-L1050 PolarHBondContact O-N 3.48Å; V1048-I1051 PolarHBondContact O-N 3.22Å; V1048-T1052 WeakPolarHBondContact O-CG2 3.36Å; V1048-T1052 PolarHBondContact O-N 2.95Å; V1048-T1052 PolarHBondContact O-OG1 3.3Å; V1048-T1052 VanDerWaalsContact O-OG1 3.09Å; V1048-W1119 HydrophobicContact CG2-CH2 4.01Å; V1048-W1119 HydrophobicContact CG2-CZ2 3.6Å |
| 1049 | T | 91.2 | Very high | 85.8 | Confident | 43 Ų | 43 | 38.9 Ų | 38.9 | 26% | 0.264 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.6 | -36.3 | 178.4 | 54 | 0 | 0 | 0 | 0 | 112.9 | W1034 V1045 F1046 T1052 Y1053 | W1034-T1049 HydrophobicContact CH2-CG2 4.43Å; W1034-T1049 HydrophobicContact CZ3-CG2 4.4Å; W1034-T1049 WeakPolarHBondContact CZ3-OG1 3.43Å; V1045-T1049 HydrophobicContact CG1-CG2 4.33Å; V1045-T1049 WeakPolarHBondContact O-CG2 3.48Å; V1045-T1049 PolarHBondContact O-N 3.46Å; V1045-T1049 PolarHBondContact O-OG1 3.27Å; V1045-T1049 VanDerWaalsContact O-OG1 3.13Å; F1046-T1049 PolarHBondContact O-N 3.12Å; F1046-T1049 PolarHBondContact O-OG1 2.7Å; T1049-T1052 WeakPolarHBondContact CA-OG1 3.36Å; T1049-T1052 PolarHBondContact O-OG1 3.06Å; T1049-Y1053 VanDerWaalsContact O-CB 3.26Å; T1049-Y1053 WeakPolarHBondContact O-CB 3.16Å; T1049-Y1053 PolarHBondContact O-N 2.92Å |
| 1050 | L | 91.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.1 | -44.3 | 178.8 | -170.7 | 69.3 | 0 | 0 | 0 | 111.8 | I1012 L1027 F1030 F1046 W1047 V1048 L1054 L1106 | I1012-L1050 HydrophobicContact CD1-CD1 4.21Å; I1012-L1050 HydrophobicContact CD1-CD2 3.83Å; L1027-L1050 HydrophobicContact CD2-CD1 3.52Å; L1027-L1050 HydrophobicContact CD2-CG 4.48Å; F1030-L1050 HydrophobicContact CD2-CD1 4.46Å; F1046-L1050 HydrophobicContact CZ-CD2 4.3Å; F1046-L1050 WeakPolarHBondContact O-CB 3.33Å; F1046-L1050 PolarHBondContact O-N 3.29Å; W1047-L1050 HydrophobicContact CE3-CD2 4.07Å; W1047-L1050 HydrophobicContact CZ3-CD2 4.05Å; W1047-L1050 PolarHBondContact O-N 3.07Å; V1048-L1050 VanDerWaalsContact C-N 3.31Å; V1048-L1050 PolarHBondContact O-N 3.48Å; L1050-L1054 WeakPolarHBondContact O-CB 3.38Å; L1050-L1054 PolarHBondContact O-N 2.93Å; L1050-L1106 HydrophobicContact CD2-CD1 4.08Å; L1050-L1106 HydrophobicContact CD2-CD2 3.48Å; L1050-L1106 VanDerWaalsContact CD2-CD2 3.48Å; L1050-L1106 HydrophobicContact CD2-CG 4.45Å; L1050-L1106 HydrophobicContact CG-CD1 4.08Å; L1050-L1106 HydrophobicContact CG-CD2 4.33Å |
| 1051 | I | 92 | Very high | 87.9 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.2 | -46.5 | 177.6 | -68 | 167.9 | 0 | 0 | 0 | 110.7 | W613 W1047 V1048 Y1053 L1054 E1055 L1106 F1107 R1110 | W613-I1051 HydrophobicContact CH2-CG2 4.47Å; W613-I1051 HydrophobicContact CZ2-CB 4.37Å; W613-I1051 HydrophobicContact CZ2-CG2 3.75Å; W1047-I1051 VanDerWaalsContact O-CG1 3.31Å; W1047-I1051 WeakPolarHBondContact O-CG1 3.45Å; W1047-I1051 PolarHBondContact O-N 3.5Å; V1048-I1051 PolarHBondContact O-N 3.22Å; I1051-Y1053 VanDerWaalsContact C-N 3.34Å; I1051-Y1053 PolarHBondContact O-N 3.26Å; I1051-L1054 PolarHBondContact O-N 3.27Å; I1051-E1055 HydrophobicContact CG2-CG 4.41Å; I1051-E1055 WeakPolarHBondContact O-CG 3.38Å; I1051-E1055 PolarHBondContact O-N 3.39Å; I1051-L1106 HydrophobicContact CD1-CB 4.42Å; I1051-L1106 HydrophobicContact CG1-CB 3.94Å; I1051-L1106 HydrophobicContact CG1-CD1 4.26Å; I1051-F1107 HydrophobicContact CG2-CE1 4.33Å; I1051-F1107 HydrophobicContact CG2-CE2 4.16Å; I1051-F1107 HydrophobicContact CG2-CZ 3.78Å; I1051-R1110 HydrophobicContact CD1-CB 4.36Å |
| 1052 | T | 92.4 | Very high | 88.7 | Confident | 63 Ų | 63 | 29.7 Ų | 29.7 | 39% | 0.387 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.3 | -39.6 | 179.7 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | W613 V1048 T1049 E1055 S1056 | W613-T1052 HydrophobicContact CH2-CG2 4.01Å; W613-T1052 HydrophobicContact CZ2-CG2 3.6Å; V1048-T1052 WeakPolarHBondContact O-CG2 3.36Å; V1048-T1052 PolarHBondContact O-N 2.95Å; V1048-T1052 PolarHBondContact O-OG1 3.3Å; V1048-T1052 VanDerWaalsContact O-OG1 3.09Å; T1049-T1052 WeakPolarHBondContact CA-OG1 3.36Å; T1049-T1052 PolarHBondContact O-OG1 3.06Å; T1052-E1055 PolarHBondContact O-N 2.91Å; T1052-S1056 WeakPolarHBondContact O-CB 3.37Å; T1052-S1056 PolarHBondContact O-N 3.5Å; T1052-S1056 PolarHBondContact O-OG 3.47Å |
| 1053 | Y | 93.3 | Very high | 89.1 | Confident | 59 Ų | 59 | 31.6 Ų | 31.6 | 23% | 0.231 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.3 | -48.4 | 174.9 | -173.9 | -98.3 | 0 | 0 | 0 | 111.3 | I1023 P1026 L1027 F1030 T1049 I1051 E1055 S1056 M1057 | I1023-Y1053 PolarHBondContact O-OH 2.82Å; P1026-Y1053 HydrophobicContact CB-CE1 4.05Å; P1026-Y1053 HydrophobicContact CB-CE2 4.32Å; P1026-Y1053 WeakPolarHBondContact CD-OH 3.43Å; P1026-Y1053 HydrophobicContact CG-CE1 4.46Å; P1026-Y1053 WeakPolarHBondContact CG-OH 3.32Å; L1027-Y1053 HydrophobicContact CD2-CD1 3.62Å; L1027-Y1053 HydrophobicContact CD2-CE1 4.17Å; L1027-Y1053 HydrophobicContact CG-CD1 4.02Å; L1027-Y1053 HydrophobicContact CG-CE1 4.04Å; F1030-Y1053 HydrophobicContact CE2-CG 4.36Å; T1049-Y1053 VanDerWaalsContact O-CB 3.26Å; T1049-Y1053 WeakPolarHBondContact O-CB 3.16Å; T1049-Y1053 PolarHBondContact O-N 2.92Å; I1051-Y1053 VanDerWaalsContact C-N 3.34Å; I1051-Y1053 PolarHBondContact O-N 3.26Å; Y1053-E1055 PolarHBondContact O-N 3.35Å; Y1053-S1056 WeakPolarHBondContact CA-OG 3.4Å; Y1053-S1056 PolarHBondContact O-N 2.96Å; Y1053-S1056 PolarHBondContact O-OG 3.03Å; Y1053-M1057 PolarHBondContact O-N 2.99Å |
| 1054 | L | 92.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61 | -44.7 | 177.7 | -179 | 59.8 | 0 | 0 | 0 | 112.9 | L1050 I1051 S1056 M1057 I1058 D1099 L1102 L1103 L1106 | L1050-L1054 WeakPolarHBondContact O-CB 3.38Å; L1050-L1054 PolarHBondContact O-N 2.93Å; I1051-L1054 PolarHBondContact O-N 3.27Å; L1054-S1056 PolarHBondContact O-N 3.48Å; L1054-M1057 HydrophobicContact CD1-CE 3.35Å; L1054-M1057 PolarHBondContact O-N 3.28Å; L1054-I1058 HydrophobicContact CD1-CD1 4.26Å; L1054-I1058 HydrophobicContact CD1-CG1 4.44Å; L1054-I1058 HydrophobicContact CG-CD1 4.12Å; L1054-I1058 WeakPolarHBondContact O-CG1 3.29Å; L1054-I1058 PolarHBondContact O-N 3.48Å; L1054-D1099 HydrophobicContact CD1-CB 4.11Å; L1054-L1102 HydrophobicContact CD1-CD2 4.1Å; L1054-L1102 HydrophobicContact CD2-CB 4.02Å; L1054-L1102 HydrophobicContact CD2-CD2 3.91Å; L1054-L1102 HydrophobicContact CD2-CG 3.67Å; L1054-L1103 VanDerWaalsContact CD2-CA 3.5Å; L1054-L1103 HydrophobicContact CD2-CB 3.73Å; L1054-L1103 HydrophobicContact CD2-CD1 3.8Å; L1054-L1103 HydrophobicContact CD2-CG 4.4Å; L1054-L1103 HydrophobicContact CG-CB 4.43Å; L1054-L1103 HydrophobicContact CG-CD1 4.11Å; L1054-L1106 HydrophobicContact CD2-CD1 3.68Å |
| 1055 | E | 91.7 | Very high | 89.3 | Confident | 21 Ų | 21 | 27.6 Ų | 27.6 | 10% | 0.098 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.9 | -45.2 | 175.5 | -74.2 | -179.3 | 159.3 | 0 | 0 | 111.5 | F609 W613 I1051 T1052 Y1053 M1057 I1058 V1059 L1103 F1107 | F609-E1055 HydrophobicContact CD1-CG 4.02Å; F609-E1055 HydrophobicContact CD2-CG 4.48Å; F609-E1055 HydrophobicContact CE1-CG 4.05Å; F609-E1055 HydrophobicContact CE2-CB 4.38Å; F609-E1055 HydrophobicContact CE2-CG 4.49Å; F609-E1055 HydrophobicContact CG-CG 4.26Å; F609-E1055 HydrophobicContact CZ-CB 4.46Å; F609-E1055 HydrophobicContact CZ-CG 4.29Å; W613-E1055 VanDerWaalsContact NE1-CD 3.27Å; W613-E1055 PolarHBondContact NE1-OE1 3.4Å; W613-E1055 PolarHBondContact NE1-OE2 3.25Å; I1051-E1055 HydrophobicContact CG2-CG 4.41Å; I1051-E1055 WeakPolarHBondContact O-CG 3.38Å; I1051-E1055 PolarHBondContact O-N 3.39Å; T1052-E1055 PolarHBondContact O-N 2.91Å; Y1053-E1055 PolarHBondContact O-N 3.35Å; E1055-M1057 PolarHBondContact O-N 3.02Å; E1055-I1058 PolarHBondContact O-N 3.25Å; E1055-V1059 WeakPolarHBondContact O-CG2 3.36Å; E1055-V1059 PolarHBondContact O-N 3.44Å; E1055-L1103 HydrophobicContact CG-CD1 3.86Å; E1055-F1107 WeakPolarHBondContact OE1-CZ 2.98Å |
| 1056 | S | 90.2 | Very high | 89 | Confident | 51 Ų | 51 | 25.2 Ų | 25.2 | 36% | 0.357 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -62.4 | -40.5 | 176.2 | 68.4 | 0 | 0 | 0 | 0 | 112.5 | T1052 Y1053 L1054 V1059 I1060 | T1052-S1056 WeakPolarHBondContact O-CB 3.37Å; T1052-S1056 PolarHBondContact O-N 3.5Å; T1052-S1056 PolarHBondContact O-OG 3.47Å; Y1053-S1056 WeakPolarHBondContact CA-OG 3.4Å; Y1053-S1056 PolarHBondContact O-N 2.96Å; Y1053-S1056 PolarHBondContact O-OG 3.03Å; L1054-S1056 PolarHBondContact O-N 3.48Å; S1056-V1059 PolarHBondContact O-N 3.27Å; S1056-I1060 WeakPolarHBondContact O-CB 3.39Å; S1056-I1060 WeakPolarHBondContact O-CD1 3.22Å; S1056-I1060 WeakPolarHBondContact O-CG1 3.32Å; S1056-I1060 PolarHBondContact O-N 3.47Å |
| 1057 | M | 88.9 | Confident | 88.1 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.9 | -45.6 | 173.9 | 175.9 | 177.3 | 65.7 | 0 | 0 | 111.5 | I1023 L1027 Y1053 L1054 E1055 V1059 I1060 K1061 D1099 | I1023-M1057 HydrophobicContact CG2-CB 4.22Å; I1023-M1057 HydrophobicContact CG2-CG 3.6Å; I1023-M1057 HydrophobicContact CG2-SD 3.84Å; L1027-M1057 HydrophobicContact CD1-CE 4.16Å; Y1053-M1057 PolarHBondContact O-N 2.99Å; L1054-M1057 HydrophobicContact CD1-CE 3.35Å; L1054-M1057 PolarHBondContact O-N 3.28Å; E1055-M1057 PolarHBondContact O-N 3.02Å; M1057-V1059 VanDerWaalsContact C-N 3.33Å; M1057-V1059 PolarHBondContact O-N 3.24Å; M1057-I1060 PolarHBondContact O-N 2.89Å; M1057-K1061 HydrophobicContact CG-CD 4.25Å; M1057-K1061 HydrophobicContact CG-CG 4.41Å; M1057-K1061 WeakPolarHBondContact O-CB 3.43Å; M1057-K1061 WeakPolarHBondContact O-CG 3.39Å; M1057-K1061 PolarHBondContact O-N 3.36Å; M1057-D1099 HydrophobicContact CE-CB 4.17Å; M1057-D1099 WeakPolarHBondContact CE-OD1 3.17Å |
| 1058 | I | 89.1 | Confident | 87.2 | Confident | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 178.4 | -68.4 | 166 | 0 | 0 | 0 | 110.5 | L605 F609 L1054 E1055 K1061 F1062 D1099 L1103 | L605-I1058 HydrophobicContact CD1-CG2 4.37Å; L605-I1058 HydrophobicContact CD2-CG2 4.48Å; F609-I1058 HydrophobicContact CZ-CB 4.43Å; F609-I1058 HydrophobicContact CZ-CG2 4.13Å; L1054-I1058 HydrophobicContact CD1-CD1 4.26Å; L1054-I1058 HydrophobicContact CD1-CG1 4.44Å; L1054-I1058 HydrophobicContact CG-CD1 4.12Å; L1054-I1058 WeakPolarHBondContact O-CG1 3.29Å; L1054-I1058 PolarHBondContact O-N 3.48Å; E1055-I1058 PolarHBondContact O-N 3.25Å; I1058-K1061 PolarHBondContact O-N 2.92Å; I1058-F1062 VanDerWaalsContact O-CB 3.26Å; I1058-F1062 WeakPolarHBondContact O-CB 3.43Å; I1058-F1062 PolarHBondContact O-N 2.92Å; I1058-D1099 HydrophobicContact CD1-CB 4.2Å; I1058-D1099 HydrophobicContact CG1-CB 3.87Å; I1058-L1103 HydrophobicContact CD1-CB 4.33Å; I1058-L1103 HydrophobicContact CD1-CD2 4.04Å |
| 1059 | V | 89.3 | Confident | 86.4 | Confident | 40 Ų | 40 | 29 Ų | 29 | 24% | 0.242 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.6 | -46.3 | 176.4 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | F602 L605 F609 E1055 S1056 M1057 F1062 V1063 | F602-V1059 HydrophobicContact CE2-CG1 4.1Å; L605-V1059 HydrophobicContact CD2-CG2 4.23Å; F609-V1059 HydrophobicContact CE2-CG2 3.81Å; E1055-V1059 WeakPolarHBondContact O-CG2 3.36Å; E1055-V1059 PolarHBondContact O-N 3.44Å; S1056-V1059 PolarHBondContact O-N 3.27Å; M1057-V1059 VanDerWaalsContact C-N 3.33Å; M1057-V1059 PolarHBondContact O-N 3.24Å; V1059-F1062 PolarHBondContact O-N 3.44Å; V1059-V1063 HydrophobicContact CG1-CG2 4.36Å; V1059-V1063 VanDerWaalsContact O-CG2 3.31Å; V1059-V1063 WeakPolarHBondContact O-CG2 3.38Å; V1059-V1063 PolarHBondContact O-N 3.45Å |
| 1060 | I | 88.2 | Confident | 85.4 | Confident | 78 Ų | 78 | 31 Ų | 31 | 40% | 0.4 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -60.3 | -49 | 177.7 | -71.3 | 165.3 | 0 | 0 | 0 | 110 | S1056 M1057 F1062 V1063 L1064 | S1056-I1060 WeakPolarHBondContact O-CB 3.39Å; S1056-I1060 WeakPolarHBondContact O-CD1 3.22Å; S1056-I1060 WeakPolarHBondContact O-CG1 3.32Å; S1056-I1060 PolarHBondContact O-N 3.47Å; M1057-I1060 PolarHBondContact O-N 2.89Å; I1060-F1062 VanDerWaalsContact C-N 3.35Å; I1060-F1062 PolarHBondContact O-N 3.31Å; I1060-V1063 PolarHBondContact O-N 2.97Å; I1060-L1064 HydrophobicContact CG2-CD1 3.54Å; I1060-L1064 HydrophobicContact CG2-CG 4.48Å; I1060-L1064 WeakPolarHBondContact O-CB 3.47Å; I1060-L1064 WeakPolarHBondContact O-CD1 3.37Å; I1060-L1064 WeakPolarHBondContact O-CG 3.22Å; I1060-L1064 PolarHBondContact O-N 3.5Å |
| 1061 | K | 86.9 | Confident | 84.5 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.017 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.6 | -46.2 | 176.3 | -75.6 | -175.6 | 178.6 | -179 | 0 | 111.1 | N1019 M1057 I1058 L1064 Q1065 F1095 D1099 | N1019-K1061 PolarHBondContact ND2-NZ 2.84Å; M1057-K1061 HydrophobicContact CG-CD 4.25Å; M1057-K1061 HydrophobicContact CG-CG 4.41Å; M1057-K1061 WeakPolarHBondContact O-CB 3.43Å; M1057-K1061 WeakPolarHBondContact O-CG 3.39Å; M1057-K1061 PolarHBondContact O-N 3.36Å; I1058-K1061 PolarHBondContact O-N 2.92Å; K1061-L1064 PolarHBondContact O-N 2.92Å; K1061-Q1065 WeakPolarHBondContact O-CG 3.37Å; K1061-Q1065 PolarHBondContact O-N 2.91Å; K1061-F1095 HydrophobicContact CB-CD2 4.02Å; K1061-F1095 HydrophobicContact CB-CE2 4.24Å; K1061-D1099 WeakPolarHBondContact CD-OD2 3.35Å; K1061-D1099 IonicContact NZ-OD1 3.56Å; K1061-D1099 PolarHBondContact NZ-OD1 3.12Å; K1061-D1099 IonicContact NZ-OD2 2.77Å; K1061-D1099 PolarHBondContact NZ-OD2 3.27Å |
| 1062 | F | 86.6 | Confident | 83.5 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 1% | 0.013 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60 | -48.9 | 179 | 179.9 | -84.8 | 0 | 0 | 0 | 112.3 | G593 A601 F602 L605 I1058 V1059 I1060 L1064 Q1065 F1066 F1095 | G593-F1062 WeakPolarHBondContact O-CE2 2.96Å; A601-F1062 HydrophobicContact CB-CE2 4.35Å; A601-F1062 HydrophobicContact CB-CZ 4.1Å; F602-F1062 HydrophobicContact CB-CE1 3.75Å; F602-F1062 HydrophobicContact CB-CZ 4.17Å; F602-F1062 AromaticContact CD2-CD1 3.88Å; F602-F1062 HydrophobicContact CD2-CD1 3.88Å; F602-F1062 AromaticContact CD2-CE1 3.84Å; F602-F1062 HydrophobicContact CD2-CE1 3.84Å; F602-F1062 HydrophobicContact CG-CE1 4.25Å; L605-F1062 HydrophobicContact CD2-CB 4.48Å; L605-F1062 HydrophobicContact CD2-CG 4.35Å; I1058-F1062 VanDerWaalsContact O-CB 3.26Å; I1058-F1062 WeakPolarHBondContact O-CB 3.43Å; I1058-F1062 PolarHBondContact O-N 2.92Å; V1059-F1062 PolarHBondContact O-N 3.44Å; I1060-F1062 VanDerWaalsContact C-N 3.35Å; I1060-F1062 PolarHBondContact O-N 3.31Å; F1062-L1064 VanDerWaalsContact C-N 3.26Å; F1062-L1064 PolarHBondContact O-N 2.97Å; F1062-Q1065 WeakPolarHBondContact O-CB 3.34Å; F1062-Q1065 PolarHBondContact O-N 3.46Å; F1062-F1066 HydrophobicContact CE1-CE2 4.23Å; F1062-F1066 HydrophobicContact CE1-CZ 4.23Å; F1062-F1095 HydrophobicContact CB-CE2 4.49Å; F1062-F1095 HydrophobicContact CD2-CZ 4.29Å |
| 1063 | V | 86.7 | Confident | 82 | Confident | 60 Ų | 60 | 36.9 Ų | 36.9 | 36% | 0.364 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62 | -37.3 | 178.7 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | V1059 I1060 Q1065 F1066 | V1059-V1063 HydrophobicContact CG1-CG2 4.36Å; V1059-V1063 VanDerWaalsContact O-CG2 3.31Å; V1059-V1063 WeakPolarHBondContact O-CG2 3.38Å; V1059-V1063 PolarHBondContact O-N 3.45Å; I1060-V1063 PolarHBondContact O-N 2.97Å; V1063-Q1065 VanDerWaalsContact C-N 3.28Å; V1063-Q1065 PolarHBondContact O-N 3.14Å; V1063-F1066 WeakPolarHBondContact O-CD2 3.39Å |
| 1064 | L | 86.3 | Confident | 80.2 | Confident | 33 Ų | 33 | 40 Ų | 40 | 17% | 0.173 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -1.2 | -179 | -59.9 | 166.2 | 0 | 0 | 0 | 114 | I1060 K1061 F1062 F1069 W1071 N1072 V1089 | I1060-L1064 HydrophobicContact CG2-CD1 3.54Å; I1060-L1064 HydrophobicContact CG2-CG 4.48Å; I1060-L1064 WeakPolarHBondContact O-CB 3.47Å; I1060-L1064 WeakPolarHBondContact O-CD1 3.37Å; I1060-L1064 WeakPolarHBondContact O-CG 3.22Å; I1060-L1064 PolarHBondContact O-N 3.5Å; K1061-L1064 PolarHBondContact O-N 2.92Å; F1062-L1064 VanDerWaalsContact C-N 3.26Å; F1062-L1064 PolarHBondContact O-N 2.97Å; L1064-F1069 HydrophobicContact CD2-CD2 4.24Å; L1064-F1069 HydrophobicContact CD2-CE1 4.34Å; L1064-F1069 HydrophobicContact CD2-CE2 3.73Å; L1064-F1069 HydrophobicContact CD2-CZ 3.77Å; L1064-W1071 HydrophobicContact CD2-CZ2 4.16Å; L1064-N1072 PolarHBondContact O-ND2 2.99Å; L1064-V1089 HydrophobicContact CB-CG1 3.38Å; L1064-V1089 HydrophobicContact CD1-CB 4.28Å; L1064-V1089 HydrophobicContact CD1-CG1 3.43Å; L1064-V1089 VanDerWaalsContact CD1-CG1 3.43Å; L1064-V1089 HydrophobicContact CD1-CG2 3.77Å; L1064-V1089 HydrophobicContact CD2-CG1 4.33Å; L1064-V1089 HydrophobicContact CG-CG1 3.87Å |
| 1065 | Q | 81.9 | Confident | 78.4 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.019 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -15.7 | 170.8 | -69.6 | -58 | -55.1 | 0 | 0 | 113.6 | I597 K1061 F1062 V1063 G1067 E1090 K1091 K1092 F1095 | I597-Q1065 HydrophobicContact CD1-CB 3.6Å; I597-Q1065 HydrophobicContact CD1-CG 4.22Å; I597-Q1065 HydrophobicContact CG1-CB 4.15Å; I597-Q1065 HydrophobicContact CG2-CB 4.27Å; K1061-Q1065 WeakPolarHBondContact O-CG 3.37Å; K1061-Q1065 PolarHBondContact O-N 2.91Å; F1062-Q1065 WeakPolarHBondContact O-CB 3.34Å; F1062-Q1065 PolarHBondContact O-N 3.46Å; V1063-Q1065 VanDerWaalsContact C-N 3.28Å; V1063-Q1065 PolarHBondContact O-N 3.14Å; Q1065-G1067 PolarHBondContact O-N 2.84Å; Q1065-E1090 PolarHBondContact NE2-O 3.28Å; Q1065-K1091 VanDerWaalsContact OE1-CA 3.28Å; Q1065-K1092 PolarHBondContact OE1-O 3.47Å; Q1065-F1095 HydrophobicContact CG-CB 4.48Å; Q1065-F1095 HydrophobicContact CG-CD1 3.72Å; Q1065-F1095 HydrophobicContact CG-CD2 3.93Å; Q1065-F1095 HydrophobicContact CG-CE1 3.85Å; Q1065-F1095 HydrophobicContact CG-CE2 4.04Å; Q1065-F1095 HydrophobicContact CG-CG 3.77Å; Q1065-F1095 HydrophobicContact CG-CZ 4.01Å |
| 1066 | F | 79.3 | Confident | 76.6 | Confident | 19 Ų | 19 | 48.9 Ų | 48.9 | 8% | 0.083 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -60.9 | 139.5 | 175 | -71.7 | -68.9 | 0 | 0 | 0 | 110 | I597 L668 F1062 V1063 L1068 N1072 | I597-F1066 HydrophobicContact CG2-CD1 3.66Å; I597-F1066 HydrophobicContact CG2-CE1 3.61Å; I597-F1066 HydrophobicContact CG2-CG 4.16Å; I597-F1066 HydrophobicContact CG2-CZ 4.06Å; L668-F1066 HydrophobicContact CD1-CE1 4.14Å; L668-F1066 HydrophobicContact CD1-CE2 4.49Å; L668-F1066 HydrophobicContact CD1-CZ 4.04Å; F1062-F1066 HydrophobicContact CE1-CE2 4.23Å; F1062-F1066 HydrophobicContact CE1-CZ 4.23Å; V1063-F1066 WeakPolarHBondContact O-CD2 3.39Å; F1066-L1068 HydrophobicContact CB-CB 4.36Å; F1066-L1068 HydrophobicContact CB-CD1 3.76Å; F1066-L1068 HydrophobicContact CB-CG 3.85Å; F1066-L1068 HydrophobicContact CG-CD1 4.19Å; F1066-L1068 PolarHBondContact O-N 3.5Å; F1066-N1072 PolarHBondContact O-ND2 3.26Å |
| 1067 | G | 69 | Low | 74.6 | Confident | 6 Ų | 6 | 48.7 Ų | 48.7 | 6% | 0.062 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | 9.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q667 Q1065 F1069 Q1073 | Q667-G1067 PolarHBondContact OE1-O 2.78Å; Q1065-G1067 PolarHBondContact O-N 2.84Å; G1067-F1069 PolarHBondContact O-N 3.25Å; G1067-Q1073 PolarHBondContact O-NE2 3.26Å |
| 1068 | L | 73.8 | Confident | 73.1 | Confident | 67 Ų | 67 | 53.1 Ų | 53.1 | 35% | 0.351 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -31.2 | 178.8 | -63.5 | 169.7 | 0 | 0 | 0 | 111.2 | S664 F1066 | S664-L1068 VanDerWaalsContact CA-CD2 3.41Å; S664-L1068 WeakPolarHBondContact OG-CD2 3.47Å; F1066-L1068 HydrophobicContact CB-CB 4.36Å; F1066-L1068 HydrophobicContact CB-CD1 3.76Å; F1066-L1068 HydrophobicContact CB-CG 3.85Å; F1066-L1068 HydrophobicContact CG-CD1 4.19Å; F1066-L1068 PolarHBondContact O-N 3.5Å |
| 1069 | F | 74.2 | Confident | 71.8 | Confident | 53 Ų | 53 | 57.3 Ų | 57.3 | 23% | 0.232 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -86 | 130.3 | -174.6 | -60.4 | -72.4 | 0 | 0 | 0 | 111.3 | L1064 G1067 W1071 N1072 | L1064-F1069 HydrophobicContact CD2-CD2 4.24Å; L1064-F1069 HydrophobicContact CD2-CE1 4.34Å; L1064-F1069 HydrophobicContact CD2-CE2 3.73Å; L1064-F1069 HydrophobicContact CD2-CZ 3.77Å; G1067-F1069 PolarHBondContact O-N 3.25Å; F1069-W1071 HydrophobicContact CB-CD2 3.65Å; F1069-W1071 HydrophobicContact CB-CE3 4.03Å; F1069-W1071 HydrophobicContact CB-CG 4.27Å; F1069-W1071 HydrophobicContact CB-CH2 3.79Å; F1069-W1071 HydrophobicContact CB-CZ2 3.36Å; F1069-W1071 HydrophobicContact CB-CZ3 4.09Å; F1069-W1071 AromaticContact CD1-CH2 3.14Å; F1069-W1071 HydrophobicContact CD1-CH2 3.14Å; F1069-W1071 AromaticContact CD1-CZ2 3.25Å; F1069-W1071 HydrophobicContact CD1-CZ2 3.25Å; F1069-W1071 AromaticContact CD1-CZ3 3.95Å; F1069-W1071 HydrophobicContact CD1-CZ3 3.95Å; F1069-W1071 HydrophobicContact CD2-CZ2 4.01Å; F1069-W1071 AromaticContact CE1-CH2 3.87Å; F1069-W1071 HydrophobicContact CE1-CH2 3.87Å; F1069-W1071 AromaticContact CE1-CZ2 3.99Å; F1069-W1071 HydrophobicContact CE1-CZ2 3.99Å; F1069-W1071 HydrophobicContact CG-CD2 4.48Å; F1069-W1071 AromaticContact CG-CE2 3.71Å; F1069-W1071 AromaticContact CG-CH2 3.65Å; F1069-W1071 HydrophobicContact CG-CH2 3.65Å; F1069-W1071 AromaticContact CG-CZ2 3.24Å; F1069-W1071 HydrophobicContact CG-CZ2 3.24Å; F1069-W1071 HydrophobicContact CG-CZ3 4.39Å; F1069-W1071 PolarHBondContact O-N 3.1Å; F1069-W1071 VanDerWaalsContact O-N 3.09Å; F1069-N1072 PolarHBondContact O-N 3.21Å |
| 1070 | P | 70.4 | Confident | 70.1 | Confident | 84 Ų | 84 | 56.6 Ų | 56.6 | 55% | 0.545 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -55.5 | -32 | -176.6 | -27 | 33.9 | 0 | 0 | 0 | 114 | N1072 Q1073 | P1070-N1072 VanDerWaalsContact C-N 3.3Å; P1070-N1072 PolarHBondContact O-N 3.32Å; P1070-Q1073 WeakPolarHBondContact O-CB 3.43Å; P1070-Q1073 PolarHBondContact O-N 3.46Å |
| 1071 | W | 72.6 | Confident | 69.1 | Low | 94 Ų | 94 | 58.3 Ų | 58.3 | 36% | 0.356 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -69.2 | -24.6 | 179.3 | 57.3 | 80.7 | 0 | 0 | 0 | 113.7 | L1064 F1069 Q1073 Y1082 P1084 | L1064-W1071 HydrophobicContact CD2-CZ2 4.16Å; F1069-W1071 HydrophobicContact CB-CD2 3.65Å; F1069-W1071 HydrophobicContact CB-CE3 4.03Å; F1069-W1071 HydrophobicContact CB-CG 4.27Å; F1069-W1071 HydrophobicContact CB-CH2 3.79Å; F1069-W1071 HydrophobicContact CB-CZ2 3.36Å; F1069-W1071 HydrophobicContact CB-CZ3 4.09Å; F1069-W1071 AromaticContact CD1-CH2 3.14Å; F1069-W1071 HydrophobicContact CD1-CH2 3.14Å; F1069-W1071 AromaticContact CD1-CZ2 3.25Å; F1069-W1071 HydrophobicContact CD1-CZ2 3.25Å; F1069-W1071 AromaticContact CD1-CZ3 3.95Å; F1069-W1071 HydrophobicContact CD1-CZ3 3.95Å; F1069-W1071 HydrophobicContact CD2-CZ2 4.01Å; F1069-W1071 AromaticContact CE1-CH2 3.87Å; F1069-W1071 HydrophobicContact CE1-CH2 3.87Å; F1069-W1071 AromaticContact CE1-CZ2 3.99Å; F1069-W1071 HydrophobicContact CE1-CZ2 3.99Å; F1069-W1071 HydrophobicContact CG-CD2 4.48Å; F1069-W1071 AromaticContact CG-CE2 3.71Å; F1069-W1071 AromaticContact CG-CH2 3.65Å; F1069-W1071 HydrophobicContact CG-CH2 3.65Å; F1069-W1071 AromaticContact CG-CZ2 3.24Å; F1069-W1071 HydrophobicContact CG-CZ2 3.24Å; F1069-W1071 HydrophobicContact CG-CZ3 4.39Å; F1069-W1071 PolarHBondContact O-N 3.1Å; F1069-W1071 VanDerWaalsContact O-N 3.09Å; W1071-Q1073 PolarHBondContact O-N 3.26Å; W1071-Y1082 WeakPolarHBondContact CB-OH 3.46Å; W1071-Y1082 PolarHBondContact O-OH 2.93Å; W1071-P1084 HydrophobicContact CB-CG 3.76Å; W1071-P1084 HydrophobicContact CG-CG 3.83Å |
| 1072 | N | 69.9 | Low | 68.3 | Low | 23 Ų | 23 | 60.3 Ų | 60.3 | 12% | 0.123 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -78.1 | -3.8 | 177.7 | -74.3 | -19.7 | 0 | 0 | 0 | 113.6 | L1064 F1066 F1069 P1070 K1091 | L1064-N1072 PolarHBondContact O-ND2 2.99Å; F1066-N1072 PolarHBondContact O-ND2 3.26Å; F1069-N1072 PolarHBondContact O-N 3.21Å; P1070-N1072 VanDerWaalsContact C-N 3.3Å; P1070-N1072 PolarHBondContact O-N 3.32Å; N1072-K1091 HydrophobicContact CB-CB 4.33Å; N1072-K1091 HydrophobicContact CB-CD 4.49Å |
| 1073 | Q | 62.2 | Low | 67.8 | Low | 70 Ų | 70 | 63.9 Ų | 63.9 | 33% | 0.327 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -95.1 | -19.9 | -177.6 | -59.4 | 175.3 | -6.8 | 0 | 0 | 112.3 | N691 G1067 P1070 W1071 V1075 | N691-Q1073 PolarHBondContact OD1-OE1 2.73Å; G1067-Q1073 PolarHBondContact O-NE2 3.26Å; P1070-Q1073 WeakPolarHBondContact O-CB 3.43Å; P1070-Q1073 PolarHBondContact O-N 3.46Å; W1071-Q1073 PolarHBondContact O-N 3.26Å; Q1073-V1075 PolarHBondContact O-N 3.12Å |
| 1074 | L | 55.4 | Low | 67.1 | Low | 125 Ų | 125 | 61.7 Ų | 61.7 | 65% | 0.654 | 35% | 0.352 | S | S | * | . | trans | -82.6 | 93.6 | -179.8 | -74.4 | 134 | 0 | 0 | 0 | 110.1 | G1076 | L1074-G1076 PolarHBondContact O-N 3.03Å; L1074-G1076 VanDerWaalsContact O-N 3.12Å | ||
| 1075 | V | 53.5 | Low | 66.4 | Low | 142 Ų | 142 | 62.7 Ų | 62.7 | 86% | 0.861 | 35% | 0.353 | S | S | * | . | trans | -67.5 | 106.2 | 173.9 | -179.9 | 0 | 0 | 0 | 0 | 109.5 | Q1073 | Q1073-V1075 PolarHBondContact O-N 3.12Š| ||
| 1076 | G | 53.7 | Low | 66 | Low | 66 Ų | 66 | 64.8 Ų | 64.8 | 68% | 0.68 | 36% | 0.364 | S | S | * | . | trans | 86.8 | 50.2 | 147.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | L1074 | L1074-G1076 PolarHBondContact O-N 3.03Å; L1074-G1076 VanDerWaalsContact O-N 3.12Å | ||
| 1077 | S | 49.9 | Very low | 65.9 | Low | 46 Ų | 46 | 67.8 Ų | 67.8 | 32% | 0.322 | 38% | 0.381 | S | S | . | . | trans | -80.3 | 127.2 | 154.8 | 101.8 | 0 | 0 | 0 | 0 | 109.9 | D1079 R1085 | S1077-D1079 VanDerWaalsContact CB-OD2 3.26Å; S1077-D1079 WeakPolarHBondContact CB-OD2 3.4Å; S1077-D1079 PolarHBondContact O-N 2.89Å; S1077-D1079 WeakPolarHBondContact OG-CB 3.35Å; S1077-D1079 PolarHBondContact OG-OD2 3.34Å; S1077-R1085 PolarHBondContact O-NH1 3.27Å; S1077-R1085 VanDerWaalsContact O-NH1 3.12Å; S1077-R1085 PolarHBondContact O-NH2 3.12Å | ||
| 1078 | S | 56.3 | Low | 66.1 | Low | 95 Ų | 95 | 68.7 Ų | 68.7 | 66% | 0.664 | 39% | 0.389 | S | S | * | . | trans | -73.2 | 8.1 | 173.7 | 46.9 | 0 | 0 | 0 | 0 | 112.4 | P1080 | S1078-P1080 WeakPolarHBondContact O-CD 3.39Š| ||
| 1079 | D | 61.4 | Low | 66.3 | Low | 91 Ų | 91 | 65.8 Ų | 65.8 | 49% | 0.487 | 38% | 0.375 | S | S | . | . | trans | -68 | 124.7 | -174.6 | -57.9 | -40.1 | 0 | 0 | 0 | 110.4 | S1077 F1081 Y1082 R1085 | S1077-D1079 VanDerWaalsContact CB-OD2 3.26Å; S1077-D1079 WeakPolarHBondContact CB-OD2 3.4Å; S1077-D1079 PolarHBondContact O-N 2.89Å; S1077-D1079 WeakPolarHBondContact OG-CB 3.35Å; S1077-D1079 PolarHBondContact OG-OD2 3.34Å; D1079-F1081 VanDerWaalsContact C-N 3.26Å; D1079-F1081 PolarHBondContact O-N 3.42Å; D1079-Y1082 PolarHBondContact O-N 3.1Å; D1079-R1085 PolarHBondContact O-NH1 3.12Å; D1079-R1085 VanDerWaalsContact O-NH1 3.12Å | ||
| 1080 | P | 54.6 | Low | 66.2 | Low | 26 Ų | 26 | 65.5 Ų | 65.5 | 17% | 0.169 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -37.9 | 175 | -23.5 | 33.8 | 0 | 0 | 0 | 111.4 | S1078 Y1082 R1305 | S1078-P1080 WeakPolarHBondContact O-CD 3.39Å; P1080-Y1082 PolarHBondContact O-N 3.29Å; P1080-R1305 PolarHBondContact O-NH1 2.78Å; P1080-R1305 PolarHBondContact O-NH2 3.02Å |
| 1081 | F | 65.9 | Low | 66.5 | Low | 114 Ų | 114 | 65.9 Ų | 65.9 | 50% | 0.5 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 14.3 | -174.7 | -63.4 | -75.4 | 0 | 0 | 0 | 115.4 | D1079 P1083 H1306 | D1079-F1081 VanDerWaalsContact C-N 3.26Å; D1079-F1081 PolarHBondContact O-N 3.42Å; F1081-P1083 VanDerWaalsContact O-CD 3.24Å; F1081-P1083 WeakPolarHBondContact O-CD 3.16Å; F1081-H1306 AromaticContact CE2-CE1 3.81Å; F1081-H1306 AromaticContact CE2-NE2 3.49Å; F1081-H1306 WeakPolarHBondContact CE2-NE2 3.46Å; F1081-H1306 AromaticContact CZ-NE2 3.5Å; F1081-H1306 WeakPolarHBondContact CZ-NE2 3.27Å |
| 1082 | Y | 70.3 | Confident | 66.5 | Low | 45 Ų | 45 | 66.8 Ų | 66.8 | 18% | 0.176 | 37% | 0.374 | C | S | . | . | trans | -62.9 | 116.9 | 175.6 | -171.3 | -122.7 | 0 | 0 | 0 | 110.7 | W1071 D1079 P1080 P1084 R1085 I1086 | W1071-Y1082 WeakPolarHBondContact CB-OH 3.46Å; W1071-Y1082 PolarHBondContact O-OH 2.93Å; D1079-Y1082 PolarHBondContact O-N 3.1Å; P1080-Y1082 PolarHBondContact O-N 3.29Å; Y1082-P1084 HydrophobicContact CD1-CB 4.11Å; Y1082-P1084 HydrophobicContact CD1-CG 4.03Å; Y1082-P1084 HydrophobicContact CE1-CB 3.73Å; Y1082-P1084 HydrophobicContact CE1-CG 3.48Å; Y1082-P1084 VanDerWaalsContact CE1-CG 3.48Å; Y1082-P1084 HydrophobicContact CE2-CG 4.34Å; Y1082-R1085 HydrophobicContact CD1-CB 4.25Å; Y1082-R1085 WeakPolarHBondContact O-CA 3.03Å; Y1082-R1085 VanDerWaalsContact O-CB 3.3Å; Y1082-R1085 WeakPolarHBondContact O-CB 3.15Å; Y1082-R1085 PolarHBondContact O-N 3.3Å; Y1082-I1086 PolarHBondContact O-N 3.26Å; Y1082-I1086 VanDerWaalsContact O-N 3.11Å | ||
| 1083 | P | 75.6 | Confident | 66.4 | Low | 79 Ų | 79 | 70.5 Ų | 70.5 | 51% | 0.513 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -57.8 | -40.6 | -170.1 | -24.4 | 32.7 | 0 | 0 | 0 | 115.4 | F1081 R1085 I1086 L1087 | F1081-P1083 VanDerWaalsContact O-CD 3.24Å; F1081-P1083 WeakPolarHBondContact O-CD 3.16Å; P1083-R1085 PolarHBondContact O-N 3.39Å; P1083-I1086 WeakPolarHBondContact O-CB 3.38Å; P1083-I1086 PolarHBondContact O-N 2.98Å; P1083-L1087 PolarHBondContact O-N 3.14Å |
| 1084 | P | 74.1 | Confident | 67 | Low | 13 Ų | 13 | 73 Ų | 73 | 8% | 0.084 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61.5 | -27.3 | 172.9 | -24 | 34.2 | 0 | 0 | 0 | 113.5 | W1071 Y1082 G1088 V1089 E1090 | W1071-P1084 HydrophobicContact CB-CG 3.76Å; W1071-P1084 HydrophobicContact CG-CG 3.83Å; Y1082-P1084 HydrophobicContact CD1-CB 4.11Å; Y1082-P1084 HydrophobicContact CD1-CG 4.03Å; Y1082-P1084 HydrophobicContact CE1-CB 3.73Å; Y1082-P1084 HydrophobicContact CE1-CG 3.48Å; Y1082-P1084 VanDerWaalsContact CE1-CG 3.48Å; Y1082-P1084 HydrophobicContact CE2-CG 4.34Å; P1084-G1088 PolarHBondContact O-N 3.41Å; P1084-V1089 PolarHBondContact O-N 2.94Å; P1084-E1090 PolarHBondContact O-N 3.26Å |
| 1085 | R | 71.4 | Confident | 68 | Low | 54 Ų | 54 | 68.2 Ų | 68.2 | 20% | 0.204 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -77.7 | -30.4 | 174 | -167.1 | 175.3 | -75.3 | 153 | -0.8 | 111.7 | S1077 D1079 Y1082 P1083 E1090 R1305 | S1077-R1085 PolarHBondContact O-NH1 3.27Å; S1077-R1085 VanDerWaalsContact O-NH1 3.12Å; S1077-R1085 PolarHBondContact O-NH2 3.12Å; D1079-R1085 PolarHBondContact O-NH1 3.12Å; D1079-R1085 VanDerWaalsContact O-NH1 3.12Å; Y1082-R1085 HydrophobicContact CD1-CB 4.25Å; Y1082-R1085 WeakPolarHBondContact O-CA 3.03Å; Y1082-R1085 VanDerWaalsContact O-CB 3.3Å; Y1082-R1085 WeakPolarHBondContact O-CB 3.15Å; Y1082-R1085 PolarHBondContact O-N 3.3Å; P1083-R1085 PolarHBondContact O-N 3.39Å; R1085-E1090 IonicContact CZ-OE1 2.65Å; R1085-E1090 IonicContact NE-OE1 3.22Å; R1085-E1090 IonicContact NE-OE2 2.77Å; R1085-E1090 PolarHBondContact NE-OE2 2.64Å; R1085-E1090 IonicContact NH2-OE1 3.47Å; R1085-E1090 PolarHBondContact NH2-OE1 2.88Å; R1085-E1090 IonicContact NH2-OE2 2.53Å; R1085-R1305 PolarHBondContact O-NH2 2.03Å |
| 1086 | I | 71.8 | Confident | 69.1 | Low | 49 Ų | 49 | 61.7 Ų | 61.7 | 25% | 0.251 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.8 | -48 | 175 | -67.3 | 166.2 | 0 | 0 | 0 | 109.4 | V1022 Y1082 P1083 G1088 | V1022-I1086 HydrophobicContact CG2-CG2 3.62Å; V1022-I1086 PolarHBondContact N-O 3.37Å; V1022-I1086 VanDerWaalsContact N-O 3.12Å; Y1082-I1086 PolarHBondContact O-N 3.26Å; Y1082-I1086 VanDerWaalsContact O-N 3.11Å; P1083-I1086 WeakPolarHBondContact O-CB 3.38Å; P1083-I1086 PolarHBondContact O-N 2.98Å; I1086-G1088 VanDerWaalsContact C-N 3.26Å; I1086-G1088 PolarHBondContact O-N 2.81Å |
| 1087 | L | 77.6 | Confident | 70.3 | Confident | 82 Ų | 82 | 62.1 Ų | 62.1 | 43% | 0.429 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -71.3 | -21.7 | 178.5 | -68.4 | 165.7 | 0 | 0 | 0 | 112.4 | I1023 P1083 V1089 | I1023-L1087 HydrophobicContact CD1-CB 4.33Å; I1023-L1087 WeakPolarHBondContact CD1-O 3.46Å; I1023-L1087 WeakPolarHBondContact CG1-O 3.19Å; P1083-L1087 PolarHBondContact O-N 3.14Å; L1087-V1089 HydrophobicContact CB-CB 4.36Å; L1087-V1089 HydrophobicContact CB-CG2 3.69Å |
| 1088 | G | 72.9 | Confident | 71.9 | Confident | 24 Ų | 24 | 63.1 Ų | 63.1 | 25% | 0.247 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79 | 34.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | P1084 I1086 | P1084-G1088 PolarHBondContact O-N 3.41Å; I1086-G1088 VanDerWaalsContact C-N 3.26Å; I1086-G1088 PolarHBondContact O-N 2.81Å |
| 1089 | V | 77.7 | Confident | 73.4 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | trans | -110.8 | -1.5 | -170.2 | 174.9 | 0 | 0 | 0 | 0 | 112.4 | I1023 L1064 P1084 L1087 | I1023-V1089 HydrophobicContact CD1-CG2 3.81Å; L1064-V1089 HydrophobicContact CB-CG1 3.38Å; L1064-V1089 HydrophobicContact CD1-CB 4.28Å; L1064-V1089 HydrophobicContact CD1-CG1 3.43Å; L1064-V1089 VanDerWaalsContact CD1-CG1 3.43Å; L1064-V1089 HydrophobicContact CD1-CG2 3.77Å; L1064-V1089 HydrophobicContact CD2-CG1 4.33Å; L1064-V1089 HydrophobicContact CG-CG1 3.87Å; P1084-V1089 PolarHBondContact O-N 2.94Å; L1087-V1089 HydrophobicContact CB-CB 4.36Å; L1087-V1089 HydrophobicContact CB-CG2 3.69Å | ||
| 1090 | E | 73.9 | Confident | 74.5 | Confident | 47 Ų | 47 | 55.7 Ų | 55.7 | 22% | 0.22 | 30% | 0.299 | C | S | . | . | trans | -55.2 | 141.2 | 179.9 | -175.3 | 177.4 | -160.2 | 0 | 0 | 113.2 | Q1065 P1084 R1085 K1092 | Q1065-E1090 PolarHBondContact NE2-O 3.28Å; P1084-E1090 PolarHBondContact O-N 3.26Å; R1085-E1090 IonicContact CZ-OE1 2.65Å; R1085-E1090 IonicContact NE-OE1 3.22Å; R1085-E1090 IonicContact NE-OE2 2.77Å; R1085-E1090 PolarHBondContact NE-OE2 2.64Å; R1085-E1090 IonicContact NH2-OE1 3.47Å; R1085-E1090 PolarHBondContact NH2-OE1 2.88Å; R1085-E1090 IonicContact NH2-OE2 2.53Å; E1090-K1092 HydrophobicContact CG-CG 4.36Å; E1090-K1092 PolarHBondContact O-N 3.47Å; E1090-K1092 VanDerWaalsContact O-N 3.11Å; E1090-K1092 WeakPolarHBondContact OE2-CE 3.19Å; E1090-K1092 IonicContact OE2-NZ 3.91Å; E1090-K1092 PolarHBondContact OE2-NZ 3.47Å | ||
| 1091 | K | 75 | Confident | 76 | Confident | 92 Ų | 92 | 56.2 Ų | 56.2 | 40% | 0.4 | 31% | 0.305 | S | S | . | . | trans | -65.9 | 108.4 | 175.3 | -171.9 | 177 | 179.7 | -179.4 | 0 | 110.6 | Q1065 N1072 | Q1065-K1091 VanDerWaalsContact OE1-CA 3.28Å; N1072-K1091 HydrophobicContact CB-CB 4.33Å; N1072-K1091 HydrophobicContact CB-CD 4.49Å | ||
| 1092 | K | 74.2 | Confident | 77.2 | Confident | 113 Ų | 113 | 50.8 Ų | 50.8 | 49% | 0.491 | 28% | 0.281 | S | S | . | . | trans | -133.1 | 144.4 | -178.6 | -71 | -178.2 | -178.3 | 172.4 | 0 | 110.4 | Q1065 E1090 N1094 F1095 | Q1065-K1092 PolarHBondContact OE1-O 3.47Å; E1090-K1092 HydrophobicContact CG-CG 4.36Å; E1090-K1092 PolarHBondContact O-N 3.47Å; E1090-K1092 VanDerWaalsContact O-N 3.11Å; E1090-K1092 WeakPolarHBondContact OE2-CE 3.19Å; E1090-K1092 IonicContact OE2-NZ 3.91Å; E1090-K1092 PolarHBondContact OE2-NZ 3.47Å; K1092-N1094 PolarHBondContact O-N 3.48Å; K1092-F1095 HydrophobicContact CB-CB 4.21Å | ||
| 1093 | A | 68 | Low | 78.2 | Confident | 100 Ų | 100 | 48.7 Ų | 48.7 | 83% | 0.826 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -34.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 1094 | N | 74.9 | Confident | 78.8 | Confident | 124 Ų | 124 | 48.1 Ų | 48.1 | 66% | 0.663 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.8 | 44.6 | -175.2 | -63.2 | -16.7 | 0 | 0 | 0 | 112.4 | K1092 A1096 T1097 | K1092-N1094 PolarHBondContact O-N 3.48Å; N1094-A1096 VanDerWaalsContact C-N 3.32Å; N1094-A1096 PolarHBondContact O-N 2.96Å; N1094-T1097 HydrophobicContact CB-CG2 3.99Å |
| 1095 | F | 76.2 | Confident | 79.5 | Confident | 24 Ų | 24 | 48.9 Ų | 48.9 | 11% | 0.105 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -20.1 | -168.4 | 69.8 | -87.1 | 0 | 0 | 0 | 116.2 | K1061 F1062 Q1065 K1092 | K1061-F1095 HydrophobicContact CB-CD2 4.02Å; K1061-F1095 HydrophobicContact CB-CE2 4.24Å; F1062-F1095 HydrophobicContact CB-CE2 4.49Å; F1062-F1095 HydrophobicContact CD2-CZ 4.29Å; Q1065-F1095 HydrophobicContact CG-CB 4.48Å; Q1065-F1095 HydrophobicContact CG-CD1 3.72Å; Q1065-F1095 HydrophobicContact CG-CD2 3.93Å; Q1065-F1095 HydrophobicContact CG-CE1 3.85Å; Q1065-F1095 HydrophobicContact CG-CE2 4.04Å; Q1065-F1095 HydrophobicContact CG-CG 3.77Å; Q1065-F1095 HydrophobicContact CG-CZ 4.01Å; K1092-F1095 HydrophobicContact CB-CB 4.21Å |
| 1096 | A | 75.5 | Confident | 80.5 | Confident | 5 Ų | 5 | 46.3 Ų | 46.3 | 4% | 0.041 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.8 | 14.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | N1094 F1098 D1099 I1100 | N1094-A1096 VanDerWaalsContact C-N 3.32Å; N1094-A1096 PolarHBondContact O-N 2.96Å; A1096-F1098 PolarHBondContact O-N 3.03Å; A1096-D1099 PolarHBondContact O-N 3.4Å; A1096-I1100 HydrophobicContact CB-CD1 4Å; A1096-I1100 HydrophobicContact CB-CG1 4.21Å; A1096-I1100 WeakPolarHBondContact O-CB 3.41Å; A1096-I1100 WeakPolarHBondContact O-CD1 3.49Å; A1096-I1100 WeakPolarHBondContact O-CG1 3.23Å; A1096-I1100 PolarHBondContact O-N 3.27Å |
| 1097 | T | 79.6 | Confident | 81.3 | Confident | 75 Ų | 75 | 44.3 Ų | 44.3 | 46% | 0.46 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -56.9 | -49.5 | -172.3 | 49.9 | 0 | 0 | 0 | 0 | 114.3 | N1094 A1101 | N1094-T1097 HydrophobicContact CB-CG2 3.99Å; T1097-A1101 PolarHBondContact O-N 3.13Å |
| 1098 | F | 83.7 | Confident | 81.8 | Confident | 66 Ų | 66 | 44.8 Ų | 44.8 | 29% | 0.289 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -72 | -34.9 | 177.1 | -71.6 | -77.3 | 0 | 0 | 0 | 113.2 | N1015 F1018 A1096 I1100 A1101 L1102 | N1015-F1098 WeakPolarHBondContact OD1-CB 3.41Å; F1018-F1098 HydrophobicContact CB-CD2 3.84Å; F1018-F1098 HydrophobicContact CB-CE2 3.68Å; F1018-F1098 HydrophobicContact CB-CZ 4.3Å; F1018-F1098 HydrophobicContact CD1-CE2 4.16Å; F1018-F1098 HydrophobicContact CD1-CZ 4.23Å; F1018-F1098 HydrophobicContact CD2-CD1 4.04Å; F1018-F1098 HydrophobicContact CD2-CD2 4.06Å; F1018-F1098 AromaticContact CD2-CE1 3.5Å; F1018-F1098 HydrophobicContact CD2-CE1 3.5Å; F1018-F1098 VanDerWaalsContact CD2-CE1 3.5Å; F1018-F1098 AromaticContact CD2-CE2 3.51Å; F1018-F1098 HydrophobicContact CD2-CE2 3.51Å; F1018-F1098 HydrophobicContact CD2-CG 4.3Å; F1018-F1098 AromaticContact CD2-CZ 3.2Å; F1018-F1098 HydrophobicContact CD2-CZ 3.2Å; F1018-F1098 HydrophobicContact CE1-CZ 4.41Å; F1018-F1098 AromaticContact CE2-CE1 3.66Å; F1018-F1098 HydrophobicContact CE2-CE1 3.66Å; F1018-F1098 HydrophobicContact CE2-CE2 4.19Å; F1018-F1098 AromaticContact CE2-CZ 3.44Å; F1018-F1098 HydrophobicContact CE2-CZ 3.44Å; F1018-F1098 VanDerWaalsContact CE2-CZ 3.44Å; F1018-F1098 HydrophobicContact CG-CD2 4.1Å; F1018-F1098 HydrophobicContact CG-CE1 4.35Å; F1018-F1098 AromaticContact CG-CE2 3.51Å; F1018-F1098 HydrophobicContact CG-CE2 3.51Å; F1018-F1098 AromaticContact CG-CZ 3.65Å; F1018-F1098 HydrophobicContact CG-CZ 3.65Å; F1018-F1098 HydrophobicContact CZ-CZ 4.06Å; A1096-F1098 PolarHBondContact O-N 3.03Å; F1098-I1100 VanDerWaalsContact C-N 3.28Å; F1098-I1100 PolarHBondContact O-N 3.03Å; F1098-A1101 PolarHBondContact O-N 3.06Å; F1098-L1102 WeakPolarHBondContact O-CB 3.18Å; F1098-L1102 PolarHBondContact O-N 3.42Å |
| 1099 | D | 86.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.6 | -39.7 | 176.1 | -56.9 | -42.4 | 0 | 0 | 0 | 111 | N1015 N1019 L1054 M1057 I1058 K1061 A1096 L1102 L1103 | N1015-D1099 PolarHBondContact ND2-OD1 3.23Å; N1015-D1099 PolarHBondContact OD1-OD1 3.29Å; N1019-D1099 PolarHBondContact ND2-OD1 3.4Å; L1054-D1099 HydrophobicContact CD1-CB 4.11Å; M1057-D1099 HydrophobicContact CE-CB 4.17Å; M1057-D1099 WeakPolarHBondContact CE-OD1 3.17Å; I1058-D1099 HydrophobicContact CD1-CB 4.2Å; I1058-D1099 HydrophobicContact CG1-CB 3.87Å; K1061-D1099 WeakPolarHBondContact CD-OD2 3.35Å; K1061-D1099 IonicContact NZ-OD1 3.56Å; K1061-D1099 PolarHBondContact NZ-OD1 3.12Å; K1061-D1099 IonicContact NZ-OD2 2.77Å; K1061-D1099 PolarHBondContact NZ-OD2 3.27Å; A1096-D1099 PolarHBondContact O-N 3.4Å; D1099-L1102 PolarHBondContact O-N 2.87Å; D1099-L1103 WeakPolarHBondContact O-CB 3.41Å; D1099-L1103 PolarHBondContact O-N 3.01Å |
| 1100 | I | 85.6 | Confident | 83.3 | Confident | 31 Ų | 31 | 44.6 Ų | 44.6 | 16% | 0.159 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.9 | -44.4 | 176.7 | -65.9 | 166.7 | 0 | 0 | 0 | 111 | F590 V594 A1096 F1098 L1102 L1103 M1104 | F590-I1100 HydrophobicContact CD1-CG2 4.09Å; F590-I1100 HydrophobicContact CE1-CB 4Å; F590-I1100 HydrophobicContact CE1-CD1 3.75Å; F590-I1100 HydrophobicContact CE1-CG1 3.49Å; F590-I1100 VanDerWaalsContact CE1-CG1 3.49Å; F590-I1100 HydrophobicContact CE1-CG2 3.39Å; F590-I1100 HydrophobicContact CZ-CB 4.46Å; F590-I1100 HydrophobicContact CZ-CD1 4.28Å; F590-I1100 HydrophobicContact CZ-CG1 3.73Å; F590-I1100 HydrophobicContact CZ-CG2 4.22Å; V594-I1100 HydrophobicContact CB-CD1 4.41Å; V594-I1100 HydrophobicContact CG1-CD1 3.86Å; V594-I1100 HydrophobicContact CG2-CD1 3.8Å; A1096-I1100 HydrophobicContact CB-CD1 4Å; A1096-I1100 HydrophobicContact CB-CG1 4.21Å; A1096-I1100 WeakPolarHBondContact O-CB 3.41Å; A1096-I1100 WeakPolarHBondContact O-CD1 3.49Å; A1096-I1100 WeakPolarHBondContact O-CG1 3.23Å; A1096-I1100 PolarHBondContact O-N 3.27Å; F1098-I1100 VanDerWaalsContact C-N 3.28Å; F1098-I1100 PolarHBondContact O-N 3.03Å; I1100-L1102 VanDerWaalsContact C-N 3.34Å; I1100-L1103 PolarHBondContact O-N 3Å; I1100-M1104 WeakPolarHBondContact O-CG 3.42Å; I1100-M1104 PolarHBondContact O-N 2.97Å |
| 1101 | A | 86.2 | Confident | 83.8 | Confident | 36 Ų | 36 | 43.9 Ų | 43.9 | 30% | 0.298 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.4 | -44.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | M1011 T1097 F1098 L1103 M1104 V1105 | M1011-A1101 HydrophobicContact CE-CB 4.18Å; M1011-A1101 HydrophobicContact SD-CB 4.15Å; T1097-A1101 PolarHBondContact O-N 3.13Å; F1098-A1101 PolarHBondContact O-N 3.06Å; A1101-L1103 VanDerWaalsContact C-N 3.33Å; A1101-L1103 PolarHBondContact O-N 3.37Å; A1101-M1104 PolarHBondContact O-N 3.48Å; A1101-V1105 WeakPolarHBondContact O-CG2 3.43Å; A1101-V1105 PolarHBondContact O-N 3.19Å; A1101-V1105 VanDerWaalsContact O-N 3.07Å |
| 1102 | L | 90.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.3 | -43.3 | 174.5 | -179.2 | 59.5 | 0 | 0 | 0 | 112 | M1011 I1012 N1015 L1027 L1054 F1098 D1099 I1100 M1104 V1105 L1106 | M1011-L1102 HydrophobicContact CB-CD1 3.73Å; M1011-L1102 HydrophobicContact CG-CB 3.71Å; M1011-L1102 HydrophobicContact CG-CD1 3.67Å; M1011-L1102 HydrophobicContact CG-CG 4.27Å; I1012-L1102 HydrophobicContact CG1-CD1 3.74Å; I1012-L1102 HydrophobicContact CG1-CD2 4.08Å; N1015-L1102 HydrophobicContact CB-CD2 4.44Å; L1027-L1102 HydrophobicContact CD1-CD2 4.03Å; L1054-L1102 HydrophobicContact CD1-CD2 4.1Å; L1054-L1102 HydrophobicContact CD2-CB 4.02Å; L1054-L1102 HydrophobicContact CD2-CD2 3.91Å; L1054-L1102 HydrophobicContact CD2-CG 3.67Å; F1098-L1102 WeakPolarHBondContact O-CB 3.18Å; F1098-L1102 PolarHBondContact O-N 3.42Å; D1099-L1102 PolarHBondContact O-N 2.87Å; I1100-L1102 VanDerWaalsContact C-N 3.34Å; L1102-M1104 VanDerWaalsContact C-N 3.34Å; L1102-M1104 PolarHBondContact O-N 3.03Å; L1102-V1105 PolarHBondContact O-N 2.97Å; L1102-L1106 HydrophobicContact CD1-CD1 4.18Å; L1102-L1106 HydrophobicContact CD1-CG 4.18Å; L1102-L1106 HydrophobicContact CG-CD1 4.03Å; L1102-L1106 HydrophobicContact CG-CG 4.45Å; L1102-L1106 WeakPolarHBondContact O-CG 3.42Å; L1102-L1106 PolarHBondContact O-N 2.93Å |
| 1103 | L | 91.1 | Very high | 84.8 | Confident | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.4 | -44.1 | 179.2 | -171.9 | 72.4 | 0 | 0 | 0 | 111.4 | F590 F609 L1054 E1055 I1058 D1099 I1100 A1101 L1106 F1107 | F590-L1103 HydrophobicContact CE2-CD2 4.16Å; F590-L1103 HydrophobicContact CZ-CD2 4.34Å; F609-L1103 HydrophobicContact CD1-CD2 4.2Å; F609-L1103 HydrophobicContact CE1-CD2 3.54Å; L1054-L1103 VanDerWaalsContact CD2-CA 3.5Å; L1054-L1103 HydrophobicContact CD2-CB 3.73Å; L1054-L1103 HydrophobicContact CD2-CD1 3.8Å; L1054-L1103 HydrophobicContact CD2-CG 4.4Å; L1054-L1103 HydrophobicContact CG-CB 4.43Å; L1054-L1103 HydrophobicContact CG-CD1 4.11Å; E1055-L1103 HydrophobicContact CG-CD1 3.86Å; I1058-L1103 HydrophobicContact CD1-CB 4.33Å; I1058-L1103 HydrophobicContact CD1-CD2 4.04Å; D1099-L1103 WeakPolarHBondContact O-CB 3.41Å; D1099-L1103 PolarHBondContact O-N 3.01Å; I1100-L1103 PolarHBondContact O-N 3Å; A1101-L1103 VanDerWaalsContact C-N 3.33Å; A1101-L1103 PolarHBondContact O-N 3.37Å; L1103-L1106 PolarHBondContact O-N 3.02Å; L1103-F1107 HydrophobicContact CD1-CD2 4Å; L1103-F1107 HydrophobicContact CD1-CE2 3.58Å; L1103-F1107 HydrophobicContact CD2-CE2 4.26Å; L1103-F1107 HydrophobicContact CG-CD2 3.84Å; L1103-F1107 HydrophobicContact CG-CE2 3.76Å; L1103-F1107 VanDerWaalsContact O-CD2 3.29Å; L1103-F1107 WeakPolarHBondContact O-CD2 3.2Å; L1103-F1107 PolarHBondContact O-N 3.27Å |
| 1104 | M | 86.9 | Confident | 85.5 | Confident | 66 Ų | 66 | 33.5 Ų | 33.5 | 33% | 0.325 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63 | -42.5 | 177.9 | -70.3 | -62 | -64.4 | 0 | 0 | 112.1 | L587 I1100 A1101 L1102 F1107 F1108 | L587-M1104 HydrophobicContact CD1-CE 4.37Å; L587-M1104 HydrophobicContact CD1-SD 4.43Å; I1100-M1104 WeakPolarHBondContact O-CG 3.42Å; I1100-M1104 PolarHBondContact O-N 2.97Å; A1101-M1104 PolarHBondContact O-N 3.48Å; L1102-M1104 VanDerWaalsContact C-N 3.34Å; L1102-M1104 PolarHBondContact O-N 3.03Å; M1104-F1107 PolarHBondContact O-N 3.1Å; M1104-F1108 WeakPolarHBondContact O-CB 3.47Å; M1104-F1108 PolarHBondContact O-N 2.97Å |
| 1105 | V | 90.3 | Very high | 85.6 | Confident | 29 Ų | 29 | 29.5 Ų | 29.5 | 18% | 0.176 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.2 | -42.4 | 177.1 | 173.4 | 0 | 0 | 0 | 0 | 111 | I1007 C1008 M1011 A1101 L1102 F1108 H1109 | I1007-V1105 HydrophobicContact CB-CG1 4.38Å; I1007-V1105 HydrophobicContact CG2-CG1 3.74Å; I1007-V1105 HydrophobicContact CG2-CG2 4.47Å; C1008-V1105 HydrophobicContact CB-CG1 4.49Å; M1011-V1105 HydrophobicContact CE-CG2 4.27Å; A1101-V1105 WeakPolarHBondContact O-CG2 3.43Å; A1101-V1105 PolarHBondContact O-N 3.19Å; A1101-V1105 VanDerWaalsContact O-N 3.07Å; L1102-V1105 PolarHBondContact O-N 2.97Å; V1105-F1108 WeakPolarHBondContact O-CB 3.34Å; V1105-F1108 PolarHBondContact O-N 2.9Å; V1105-H1109 PolarHBondContact O-N 3.3Å |
| 1106 | L | 91.8 | Very high | 85.7 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.9 | -41.8 | 177.2 | -73.4 | 172.3 | 0 | 0 | 0 | 112.7 | C1008 W1047 L1050 I1051 L1054 L1102 L1103 F1108 H1109 R1110 | C1008-L1106 HydrophobicContact CB-CD2 4.03Å; W1047-L1106 HydrophobicContact CE3-CD2 3.91Å; W1047-L1106 HydrophobicContact CZ3-CD2 3.77Å; L1050-L1106 HydrophobicContact CD2-CD1 4.08Å; L1050-L1106 HydrophobicContact CD2-CD2 3.48Å; L1050-L1106 VanDerWaalsContact CD2-CD2 3.48Å; L1050-L1106 HydrophobicContact CD2-CG 4.45Å; L1050-L1106 HydrophobicContact CG-CD1 4.08Å; L1050-L1106 HydrophobicContact CG-CD2 4.33Å; I1051-L1106 HydrophobicContact CD1-CB 4.42Å; I1051-L1106 HydrophobicContact CG1-CB 3.94Å; I1051-L1106 HydrophobicContact CG1-CD1 4.26Å; L1054-L1106 HydrophobicContact CD2-CD1 3.68Å; L1102-L1106 HydrophobicContact CD1-CD1 4.18Å; L1102-L1106 HydrophobicContact CD1-CG 4.18Å; L1102-L1106 HydrophobicContact CG-CD1 4.03Å; L1102-L1106 HydrophobicContact CG-CG 4.45Å; L1102-L1106 WeakPolarHBondContact O-CG 3.42Å; L1102-L1106 PolarHBondContact O-N 2.93Å; L1103-L1106 PolarHBondContact O-N 3.02Å; L1106-F1108 VanDerWaalsContact C-N 3.3Å; L1106-F1108 PolarHBondContact O-N 2.97Å; L1106-H1109 PolarHBondContact O-N 3.31Å; L1106-R1110 WeakPolarHBondContact O-CB 3.19Å; L1106-R1110 PolarHBondContact O-N 3.24Å |
| 1107 | F | 89.7 | Confident | 85.6 | Confident | 7 Ų | 7 | 29.2 Ų | 29.2 | 3% | 0.031 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67 | -33 | 173.6 | -84.3 | -68.4 | 0 | 0 | 0 | 112.4 | L612 I1051 E1055 L1103 M1104 H1111 | L612-F1107 HydrophobicContact CB-CD1 4.06Å; L612-F1107 HydrophobicContact CB-CD2 4.22Å; L612-F1107 HydrophobicContact CB-CE1 3.67Å; L612-F1107 HydrophobicContact CB-CE2 3.83Å; L612-F1107 HydrophobicContact CB-CG 4.34Å; L612-F1107 HydrophobicContact CB-CZ 3.56Å; L612-F1107 HydrophobicContact CD1-CD2 4Å; L612-F1107 HydrophobicContact CD1-CE2 3.8Å; L612-F1107 HydrophobicContact CD1-CZ 4.37Å; L612-F1107 HydrophobicContact CD2-CD2 4.45Å; L612-F1107 HydrophobicContact CD2-CG 4.43Å; L612-F1107 HydrophobicContact CG-CD2 4.46Å; L612-F1107 HydrophobicContact CG-CE2 4.34Å; L612-F1107 WeakPolarHBondContact O-CE1 3.03Å; I1051-F1107 HydrophobicContact CG2-CE1 4.33Å; I1051-F1107 HydrophobicContact CG2-CE2 4.16Å; I1051-F1107 HydrophobicContact CG2-CZ 3.78Å; E1055-F1107 WeakPolarHBondContact OE1-CZ 2.98Å; L1103-F1107 HydrophobicContact CD1-CD2 4Å; L1103-F1107 HydrophobicContact CD1-CE2 3.58Å; L1103-F1107 HydrophobicContact CD2-CE2 4.26Å; L1103-F1107 HydrophobicContact CG-CD2 3.84Å; L1103-F1107 HydrophobicContact CG-CE2 3.76Å; L1103-F1107 VanDerWaalsContact O-CD2 3.29Å; L1103-F1107 WeakPolarHBondContact O-CD2 3.2Å; L1103-F1107 PolarHBondContact O-N 3.27Å; M1104-F1107 PolarHBondContact O-N 3.1Å; F1107-H1111 VanDerWaalsContact O-CB 3.3Å; F1107-H1111 WeakPolarHBondContact O-CB 3.38Å; F1107-H1111 PolarHBondContact O-N 3.27Å |
| 1108 | F | 87 | Confident | 85.5 | Confident | 91 Ų | 91 | 27 Ų | 27 | 40% | 0.399 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -65.8 | -47 | 173 | -179 | -103.4 | 0 | 0 | 0 | 111.8 | V1001 T1004 M1104 V1105 L1106 R1110 H1111 H1112 | V1001-F1108 HydrophobicContact CG2-CZ 4.2Å; T1004-F1108 HydrophobicContact CG2-CD1 3.95Å; T1004-F1108 HydrophobicContact CG2-CE1 3.62Å; M1104-F1108 WeakPolarHBondContact O-CB 3.47Å; M1104-F1108 PolarHBondContact O-N 2.97Å; V1105-F1108 WeakPolarHBondContact O-CB 3.34Å; V1105-F1108 PolarHBondContact O-N 2.9Å; L1106-F1108 VanDerWaalsContact C-N 3.3Å; L1106-F1108 PolarHBondContact O-N 2.97Å; F1108-R1110 PolarHBondContact O-N 3.16Å; F1108-H1111 WeakPolarHBondContact O-CB 3.37Å; F1108-H1111 PolarHBondContact O-N 2.85Å; F1108-H1112 PolarHBondContact O-N 3.32Å |
| 1109 | H | 90.9 | Very high | 85.2 | Confident | 8 Ų | 8 | 24.9 Ų | 24.9 | 4% | 0.037 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.6 | -45.5 | 174.2 | 178.9 | 65.6 | 0 | 0 | 0 | 111.5 | T1004 C1008 W1047 V1105 L1106 H1111 H1112 L1113 | T1004-H1109 WeakPolarHBondContact CB-ND1 3.33Å; T1004-H1109 PolarHBondContact OG1-ND1 3.38Å; C1008-H1109 VanDerWaalsContact SG-CB 3.54Å; W1047-H1109 AromaticContact CD2-CD2 3.69Å; W1047-H1109 AromaticContact CD2-NE2 3.76Å; W1047-H1109 AromaticContact CE2-CD2 3.62Å; W1047-H1109 AromaticContact CE2-NE2 3.18Å; W1047-H1109 AromaticContact CE3-CD2 3.74Å; W1047-H1109 AromaticContact CH2-CD2 3.7Å; W1047-H1109 AromaticContact CH2-NE2 3.6Å; W1047-H1109 AromaticContact CZ2-CD2 3.65Å; W1047-H1109 AromaticContact CZ2-NE2 3.11Å; W1047-H1109 WeakPolarHBondContact CZ2-NE2 3.08Å; W1047-H1109 AromaticContact CZ3-CD2 3.74Å; W1047-H1109 AromaticContact NE1-NE2 3.61Å; V1105-H1109 PolarHBondContact O-N 3.3Å; L1106-H1109 PolarHBondContact O-N 3.31Å; H1109-H1111 VanDerWaalsContact C-N 3.35Å; H1109-H1111 PolarHBondContact O-N 3.45Å; H1109-H1112 WeakPolarHBondContact O-CB 3.31Å; H1109-H1112 PolarHBondContact O-N 3.36Å; H1109-H1112 VanDerWaalsContact O-N 3.13Å; H1109-L1113 VanDerWaalsContact NE2-CD1 3.29Å; H1109-L1113 WeakPolarHBondContact NE2-CD1 3.48Å; H1109-L1113 WeakPolarHBondContact O-CG 3.36Å; H1109-L1113 PolarHBondContact O-N 2.69Å |
| 1110 | R | 90.4 | Very high | 84.3 | Confident | 20 Ų | 20 | 31.9 Ų | 31.9 | 8% | 0.075 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.9 | -43.9 | 173.4 | 175.5 | 175.3 | 177.5 | -121.7 | -0.1 | 112.3 | L612 W613 I1051 L1106 F1108 H1112 K1114 W1119 | L612-R1110 PolarHBondContact O-NH1 2.76Å; L612-R1110 VanDerWaalsContact O-NH1 3.14Å; W613-R1110 PolarHBondContact O-NH1 2.92Å; W613-R1110 PolarHBondContact O-NH2 3.45Å; I1051-R1110 HydrophobicContact CD1-CB 4.36Å; L1106-R1110 WeakPolarHBondContact O-CB 3.19Å; L1106-R1110 PolarHBondContact O-N 3.24Å; F1108-R1110 PolarHBondContact O-N 3.16Å; R1110-H1112 VanDerWaalsContact C-N 3.28Å; R1110-H1112 PolarHBondContact O-N 2.83Å; R1110-K1114 WeakPolarHBondContact O-CB 3.32Å; R1110-K1114 WeakPolarHBondContact O-CG 3.44Å; R1110-K1114 PolarHBondContact O-N 3.37Å; R1110-W1119 HydrophobicContact CB-CH2 4.25Å; R1110-W1119 HydrophobicContact CB-CZ3 4.09Å; R1110-W1119 HydrophobicContact CG-CD2 4.22Å; R1110-W1119 HydrophobicContact CG-CE3 4.08Å; R1110-W1119 HydrophobicContact CG-CH2 3.74Å; R1110-W1119 HydrophobicContact CG-CZ2 3.89Å; R1110-W1119 HydrophobicContact CG-CZ3 3.83Å |
| 1111 | H | 85.3 | Confident | 82.9 | Confident | 31 Ų | 31 | 34.9 Ų | 34.9 | 14% | 0.144 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.8 | -44.3 | 175.9 | 175.3 | 48.7 | 0 | 0 | 0 | 110.2 | W583 N616 F1107 F1108 H1109 K1114 T1115 | W583-H1111 HydrophobicContact CZ2-CB 4.46Å; N616-H1111 PolarHBondContact ND2-CE1 3.48Å; N616-H1111 VanDerWaalsContact ND2-CE1 3.27Å; F1107-H1111 VanDerWaalsContact O-CB 3.3Å; F1107-H1111 WeakPolarHBondContact O-CB 3.38Å; F1107-H1111 PolarHBondContact O-N 3.27Å; F1108-H1111 WeakPolarHBondContact O-CB 3.37Å; F1108-H1111 PolarHBondContact O-N 2.85Å; H1109-H1111 VanDerWaalsContact C-N 3.35Å; H1109-H1111 PolarHBondContact O-N 3.45Å; H1111-K1114 WeakPolarHBondContact O-CB 3.39Å; H1111-K1114 PolarHBondContact O-N 2.87Å; H1111-T1115 WeakPolarHBondContact O-CG2 3.25Å; H1111-T1115 PolarHBondContact O-N 3.45Å |
| 1112 | H | 85.1 | Confident | 81.3 | Confident | 17 Ų | 17 | 36.6 Ų | 36.6 | 8% | 0.079 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.5 | -49.2 | 178.8 | -172.5 | 22 | 0 | 0 | 0 | 112.8 | H919 V1001 F1108 H1109 R1110 K1114 T1115 L1116 | H919-H1112 AromaticContact CD2-NE2 3.84Å; H919-H1112 AromaticContact CE1-CE1 3.9Å; H919-H1112 AromaticContact CE1-NE2 3.89Å; H919-H1112 AromaticContact NE2-CE1 3.16Å; H919-H1112 PolarHBondContact NE2-CE1 3.44Å; H919-H1112 AromaticContact NE2-NE2 2.95Å; H919-H1112 PolarHBondContact NE2-NE2 3.01Å; V1001-H1112 VanDerWaalsContact CG1-NE2 3.32Å; V1001-H1112 WeakPolarHBondContact CG1-NE2 3.49Å; V1001-H1112 PolarHBondContact O-CD2 3.41Å; V1001-H1112 PolarHBondContact O-NE2 2.77Å; V1001-H1112 VanDerWaalsContact O-NE2 3.13Å; F1108-H1112 PolarHBondContact O-N 3.32Å; H1109-H1112 WeakPolarHBondContact O-CB 3.31Å; H1109-H1112 PolarHBondContact O-N 3.36Å; H1109-H1112 VanDerWaalsContact O-N 3.13Å; R1110-H1112 VanDerWaalsContact C-N 3.28Å; R1110-H1112 PolarHBondContact O-N 2.83Å; H1112-K1114 PolarHBondContact O-N 3.38Å; H1112-T1115 WeakPolarHBondContact CA-OG1 3.48Å; H1112-T1115 PolarHBondContact ND1-OG1 3.46Å; H1112-T1115 PolarHBondContact O-N 3.15Å; H1112-T1115 PolarHBondContact O-OG1 2.62Å; H1112-L1116 WeakPolarHBondContact CE1-CD1 3.31Å; H1112-L1116 PolarHBondContact O-N 3.46Å; H1112-L1116 VanDerWaalsContact O-N 3.12Å |
| 1113 | L | 85.2 | Confident | 78.9 | Confident | 23 Ų | 23 | 45.1 Ų | 45.1 | 12% | 0.12 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.2 | -36.6 | 175.9 | -69.9 | -176.5 | 0 | 0 | 0 | 112.3 | H1109 G1117 L1118 W1119 | H1109-L1113 VanDerWaalsContact NE2-CD1 3.29Å; H1109-L1113 WeakPolarHBondContact NE2-CD1 3.48Å; H1109-L1113 WeakPolarHBondContact O-CG 3.36Å; H1109-L1113 PolarHBondContact O-N 2.69Å; L1113-G1117 PolarHBondContact O-N 3.04Å; L1113-G1117 VanDerWaalsContact O-N 3.09Å; L1113-L1118 HydrophobicContact CB-CB 4.41Å; L1113-L1118 HydrophobicContact CD2-CB 4Å; L1113-L1118 HydrophobicContact CD2-CD1 3.87Å; L1113-L1118 PolarHBondContact O-N 2.92Å; L1113-W1119 HydrophobicContact CB-CB 4.44Å; L1113-W1119 HydrophobicContact CB-CE3 4.07Å; L1113-W1119 HydrophobicContact CD1-CE3 3.83Å; L1113-W1119 HydrophobicContact CD1-CZ3 4.07Å |
| 1114 | K | 82.5 | Confident | 76.1 | Confident | 47 Ų | 47 | 52 Ų | 52 | 20% | 0.204 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 173.7 | -81.7 | -177 | 158.4 | -160.2 | 0 | 112.6 | D617 R1110 H1111 H1112 L1116 G1117 W1119 | D617-K1114 IonicContact OD1-NZ 2.71Å; D617-K1114 PolarHBondContact OD1-NZ 2.94Å; D617-K1114 IonicContact OD2-NZ 3.16Å; D617-K1114 PolarHBondContact OD2-NZ 3.11Å; R1110-K1114 WeakPolarHBondContact O-CB 3.32Å; R1110-K1114 WeakPolarHBondContact O-CG 3.44Å; R1110-K1114 PolarHBondContact O-N 3.37Å; H1111-K1114 WeakPolarHBondContact O-CB 3.39Å; H1111-K1114 PolarHBondContact O-N 2.87Å; H1112-K1114 PolarHBondContact O-N 3.38Å; K1114-L1116 VanDerWaalsContact C-N 3.3Å; K1114-L1116 PolarHBondContact O-N 3.32Å; K1114-G1117 PolarHBondContact O-N 2.6Å; K1114-G1117 VanDerWaalsContact O-N 3.1Å; K1114-W1119 HydrophobicContact CB-CB 4.48Å; K1114-W1119 HydrophobicContact CG-CB 3.68Å; K1114-W1119 HydrophobicContact CG-CD2 4.39Å; K1114-W1119 HydrophobicContact CG-CG 3.69Å |
| 1115 | T | 77.4 | Confident | 73.5 | Confident | 40 Ų | 40 | 52 Ų | 52 | 25% | 0.245 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64 | -34.5 | 178.5 | 57.4 | 0 | 0 | 0 | 0 | 112.9 | H1111 H1112 G1117 | H1111-T1115 WeakPolarHBondContact O-CG2 3.25Å; H1111-T1115 PolarHBondContact O-N 3.45Å; H1112-T1115 WeakPolarHBondContact CA-OG1 3.48Å; H1112-T1115 PolarHBondContact ND1-OG1 3.46Å; H1112-T1115 PolarHBondContact O-N 3.15Å; H1112-T1115 PolarHBondContact O-OG1 2.62Å; T1115-G1117 VanDerWaalsContact C-N 3.32Å |
| 1116 | L | 78 | Confident | 70.7 | Confident | 15 Ų | 15 | 54.8 Ų | 54.8 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -6.1 | 175 | -65.4 | 176.3 | 0 | 0 | 0 | 113.4 | S737 G740 A741 I744 V922 L926 H1112 K1114 L1118 | S737-L1116 CarbonylContact O-C 3.53Å; G740-L1116 CarbonylContact C-O 3.42Å; A741-L1116 PolarHBondContact N-O 3.19Å; A741-L1116 VanDerWaalsContact N-O 3.1Å; I744-L1116 HydrophobicContact CD1-CB 4.35Å; I744-L1116 HydrophobicContact CD1-CD1 3.94Å; I744-L1116 HydrophobicContact CD1-CD2 4.39Å; I744-L1116 HydrophobicContact CD1-CG 4.47Å; V922-L1116 HydrophobicContact CG1-CD2 4.38Å; L926-L1116 HydrophobicContact CD1-CD2 4.27Å; H1112-L1116 WeakPolarHBondContact CE1-CD1 3.31Å; H1112-L1116 PolarHBondContact O-N 3.46Å; H1112-L1116 VanDerWaalsContact O-N 3.12Å; K1114-L1116 VanDerWaalsContact C-N 3.3Å; K1114-L1116 PolarHBondContact O-N 3.32Å; L1116-L1118 VanDerWaalsContact C-N 3.29Å; L1116-L1118 HydrophobicContact CB-CD1 4.21Å; L1116-L1118 HydrophobicContact CB-CG 3.92Å; L1116-L1118 HydrophobicContact CD1-CD1 4.19Å; L1116-L1118 PolarHBondContact O-N 3.34Å |
| 1117 | G | 73.5 | Confident | 67.9 | Low | 9 Ų | 9 | 59.1 Ų | 59.1 | 9% | 0.093 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 12.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | S737 L1113 K1114 T1115 W1119 | S737-G1117 VanDerWaalsContact O-CA 3.27Å; S737-G1117 WeakPolarHBondContact O-CA 3.13Å; S737-G1117 WeakPolarHBondContact OG-CA 3.45Å; L1113-G1117 PolarHBondContact O-N 3.04Å; L1113-G1117 VanDerWaalsContact O-N 3.09Å; K1114-G1117 PolarHBondContact O-N 2.6Å; K1114-G1117 VanDerWaalsContact O-N 3.1Å; T1115-G1117 VanDerWaalsContact C-N 3.32Å; G1117-W1119 PolarHBondContact O-N 3.2Å |
| 1118 | L | 76.7 | Confident | 65.3 | Low | 27 Ų | 27 | 61 Ų | 61 | 14% | 0.141 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -8.4 | 177.4 | -56.1 | -176.5 | 0 | 0 | 0 | 113.3 | A741 I744 L1113 L1116 | A741-L1118 HydrophobicContact CB-CD2 3.87Å; I744-L1118 HydrophobicContact CD1-CD1 4Å; I744-L1118 HydrophobicContact CD1-CD2 4.25Å; I744-L1118 HydrophobicContact CD1-CG 4.42Å; L1113-L1118 HydrophobicContact CB-CB 4.41Å; L1113-L1118 HydrophobicContact CD2-CB 4Å; L1113-L1118 HydrophobicContact CD2-CD1 3.87Å; L1113-L1118 PolarHBondContact O-N 2.92Å; L1116-L1118 VanDerWaalsContact C-N 3.29Å; L1116-L1118 HydrophobicContact CB-CD1 4.21Å; L1116-L1118 HydrophobicContact CB-CG 3.92Å; L1116-L1118 HydrophobicContact CD1-CD1 4.19Å; L1116-L1118 PolarHBondContact O-N 3.34Å |
| 1119 | W | 79.2 | Confident | 63 | Low | 23 Ų | 23 | 60.1 Ų | 60.1 | 9% | 0.087 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 1.7 | -177.6 | -165.6 | -90.5 | 0 | 0 | 0 | 114.7 | K1044 W1047 V1048 R1110 L1113 K1114 G1117 | K1044-W1119 WeakPolarHBondContact CD-O 3.41Å; K1044-W1119 HydrophobicContact CG-CD2 4.15Å; K1044-W1119 HydrophobicContact CG-CZ2 4.02Å; W1047-W1119 HydrophobicContact CB-CH2 3.64Å; W1047-W1119 HydrophobicContact CB-CZ3 3.6Å; W1047-W1119 HydrophobicContact CG-CZ3 4.13Å; V1048-W1119 HydrophobicContact CG2-CH2 4.01Å; V1048-W1119 HydrophobicContact CG2-CZ2 3.6Å; R1110-W1119 HydrophobicContact CB-CH2 4.25Å; R1110-W1119 HydrophobicContact CB-CZ3 4.09Å; R1110-W1119 HydrophobicContact CG-CD2 4.22Å; R1110-W1119 HydrophobicContact CG-CE3 4.08Å; R1110-W1119 HydrophobicContact CG-CH2 3.74Å; R1110-W1119 HydrophobicContact CG-CZ2 3.89Å; R1110-W1119 HydrophobicContact CG-CZ3 3.83Å; L1113-W1119 HydrophobicContact CB-CB 4.44Å; L1113-W1119 HydrophobicContact CB-CE3 4.07Å; L1113-W1119 HydrophobicContact CD1-CE3 3.83Å; L1113-W1119 HydrophobicContact CD1-CZ3 4.07Å; K1114-W1119 HydrophobicContact CB-CB 4.48Å; K1114-W1119 HydrophobicContact CG-CB 3.68Å; K1114-W1119 HydrophobicContact CG-CD2 4.39Å; K1114-W1119 HydrophobicContact CG-CG 3.69Å; G1117-W1119 PolarHBondContact O-N 3.2Å |
| 1120 | R | 66.8 | Low | 60.7 | Low | 146 Ų | 146 | 63.7 Ų | 63.7 | 55% | 0.551 | 35% | 0.349 | S | S | * | . | trans | -88.1 | 134.9 | 177 | -79.1 | 179.5 | 159.5 | 141 | -13 | 110.9 | S737 | S737-R1120 PolarHBondContact OG-NH1 3.31Š| ||
| 1121 | E | 57.1 | Low | 58.5 | Low | 94 Ų | 94 | 65.5 Ų | 65.5 | 44% | 0.439 | 36% | 0.36 | S | S | . | . | trans | -80.3 | 130.5 | 166.3 | -82.2 | 156.8 | 166.5 | 0 | 0 | 107.6 | K1044 E1123 | K1044-E1121 HydrophobicContact CD-CG 3.91Å; K1044-E1121 IonicContact NZ-OE1 3.88Å; K1044-E1121 IonicContact NZ-OE2 3.16Å; K1044-E1121 PolarHBondContact NZ-OE2 3.4Å; E1121-E1123 VanDerWaalsContact C-N 3.33Å; E1121-E1123 PolarHBondContact O-N 3.33Å | ||
| 1122 | S | 51.4 | Low | 56.4 | Low | 73 Ų | 73 | 68.1 Ų | 68.1 | 51% | 0.51 | 37% | 0.374 | S | S | . | . | trans | -66 | 93.5 | 168.9 | 145.4 | 0 | 0 | 0 | 0 | 107.8 | N1124 S1126 | S1122-N1124 PolarHBondContact O-N 3.25Å; S1122-N1124 PolarHBondContact OG-O 3.49Å; S1122-S1126 PolarHBondContact OG-N 3.18Å; S1122-S1126 PolarHBondContact OG-OG 3.47Å | ||
| 1123 | E | 41.3 | Very low | 54.5 | Low | 179 Ų | 179 | 71 Ų | 71 | 84% | 0.836 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -68.8 | -13.3 | -177.9 | -81.5 | -176.1 | 162.8 | 0 | 0 | 113.8 | E1121 | E1121-E1123 VanDerWaalsContact C-N 3.33Å; E1121-E1123 PolarHBondContact O-N 3.33Å |
| 1124 | N | 31.7 | Very low | 52.4 | Low | 147 Ų | 147 | 77.5 Ų | 77.5 | 79% | 0.786 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -140.7 | 124.3 | 168.5 | -73.1 | -38.2 | 0 | 0 | 0 | 107.2 | S1122 S1126 | S1122-N1124 PolarHBondContact O-N 3.25Å; S1122-N1124 PolarHBondContact OG-O 3.49Å; N1124-S1126 VanDerWaalsContact C-N 3.3Å; N1124-S1126 PolarHBondContact O-N 3.34Å |
| 1125 | G | 31.8 | Very low | 50.4 | Low | 66 Ų | 66 | 81.5 Ų | 81.5 | 68% | 0.68 | 44% | 0.436 | S | S | * | . | trans | -37.9 | 85.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | V1127 | G1125-V1127 VanDerWaalsContact C-N 3.31Å; G1125-V1127 PolarHBondContact O-N 2.81Å | ||
| 1126 | S | 31.3 | Very low | 48.7 | Very low | 87 Ų | 87 | 87.6 Ų | 87.6 | 61% | 0.608 | 46% | 0.459 | S | S | * | . | trans | -78.5 | 92.5 | -178.8 | 57 | 0 | 0 | 0 | 0 | 106 | S1122 N1124 | S1122-S1126 PolarHBondContact OG-N 3.18Å; S1122-S1126 PolarHBondContact OG-OG 3.47Å; N1124-S1126 VanDerWaalsContact C-N 3.3Å; N1124-S1126 PolarHBondContact O-N 3.34Å | ||
| 1127 | V | 33.8 | Very low | 47.4 | Very low | 92 Ų | 92 | 91.1 Ų | 91.1 | 56% | 0.558 | 49% | 0.485 | S | S | * | . | trans | 41.5 | 79.2 | 177 | -168.4 | 0 | 0 | 0 | 0 | 110.8 | G1125 D1131 I1132 | G1125-V1127 VanDerWaalsContact C-N 3.31Å; G1125-V1127 PolarHBondContact O-N 2.81Å; V1127-D1131 HydrophobicContact CG1-CB 4.38Å; V1127-I1132 HydrophobicContact CG1-CD1 3.64Å; V1127-I1132 HydrophobicContact CG1-CG1 3.4Å; V1127-I1132 VanDerWaalsContact CG1-CG1 3.4Å | ||
| 1128 | S | 36.2 | Very low | 45.9 | Very low | 47 Ų | 47 | 96.6 Ų | 96.6 | 33% | 0.329 | 51% | 0.512 | S | S | . | . | trans | -51 | 146.8 | 160.7 | 179.4 | 0 | 0 | 0 | 0 | 107.5 | D1130 D1131 | S1128-D1130 PolarHBondContact O-N 3.13Å; S1128-D1130 WeakPolarHBondContact OG-CB 3.31Å; S1128-D1130 PolarHBondContact OG-N 3.46Å; S1128-D1130 PolarHBondContact OG-OD2 2.96Å; S1128-D1131 PolarHBondContact N-OD2 3.37Å; S1128-D1131 PolarHBondContact O-N 3.1Å | ||
| 1129 | F | 38.4 | Very low | 44 | Very low | 72 Ų | 72 | 98.8 Ų | 98.8 | 32% | 0.316 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -47.1 | -28.8 | 166 | -114.9 | -68.5 | 0 | 0 | 0 | 111.3 | K749 D1133 F1209 | K749-F1129 HydrophobicContact CD-CZ 4.42Å; K749-F1129 HydrophobicContact CG-CZ 4.33Å; F1129-D1133 PolarHBondContact O-N 3.3Å; F1129-F1209 HydrophobicContact CD1-CD2 4.29Å; F1129-F1209 AromaticContact CD1-CE2 3.21Å; F1129-F1209 HydrophobicContact CD1-CE2 3.21Å; F1129-F1209 AromaticContact CD1-CZ 3.69Å; F1129-F1209 HydrophobicContact CD1-CZ 3.69Å; F1129-F1209 HydrophobicContact CD2-CD2 4.36Å; F1129-F1209 AromaticContact CD2-CE2 3.99Å; F1129-F1209 HydrophobicContact CD2-CE2 3.99Å; F1129-F1209 AromaticContact CE1-CD2 3.95Å; F1129-F1209 HydrophobicContact CE1-CD2 3.95Å; F1129-F1209 HydrophobicContact CE1-CE1 4.25Å; F1129-F1209 AromaticContact CE1-CE2 2.91Å; F1129-F1209 HydrophobicContact CE1-CE2 2.91Å; F1129-F1209 AromaticContact CE1-CZ 3.09Å; F1129-F1209 HydrophobicContact CE1-CZ 3.09Å; F1129-F1209 AromaticContact CE2-CD2 3.99Å; F1129-F1209 HydrophobicContact CE2-CD2 3.99Å; F1129-F1209 AromaticContact CE2-CE2 3.73Å; F1129-F1209 HydrophobicContact CE2-CE2 3.73Å; F1129-F1209 HydrophobicContact CG-CD2 4.47Å; F1129-F1209 AromaticContact CG-CE2 3.73Å; F1129-F1209 HydrophobicContact CG-CE2 3.73Å; F1129-F1209 AromaticContact CZ-CD2 3.75Å; F1129-F1209 HydrophobicContact CZ-CD2 3.75Å; F1129-F1209 HydrophobicContact CZ-CE1 4.47Å; F1129-F1209 AromaticContact CZ-CE2 3.17Å; F1129-F1209 HydrophobicContact CZ-CE2 3.17Å; F1129-F1209 AromaticContact CZ-CZ 3.58Å; F1129-F1209 HydrophobicContact CZ-CZ 3.58Å |
| 1130 | D | 42.1 | Very low | 42 | Very low | 83 Ų | 83 | 107.9 Ų | 107.9 | 44% | 0.444 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68 | -28.3 | 174 | -57.6 | -40.4 | 0 | 0 | 0 | 115.4 | S1128 R1134 | S1128-D1130 PolarHBondContact O-N 3.13Å; S1128-D1130 WeakPolarHBondContact OG-CB 3.31Å; S1128-D1130 PolarHBondContact OG-N 3.46Å; S1128-D1130 PolarHBondContact OG-OD2 2.96Å; D1130-R1134 WeakPolarHBondContact O-CB 3.41Å; D1130-R1134 WeakPolarHBondContact O-CG 3.49Å; D1130-R1134 PolarHBondContact O-N 2.86Å |
| 1131 | D | 43.3 | Very low | 40.3 | Very low | 58 Ų | 58 | 106 Ų | 106 | 31% | 0.31 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -75.6 | -31.2 | -177.7 | -64.5 | -39.3 | 0 | 0 | 0 | 111 | V1127 S1128 L1135 | V1127-D1131 HydrophobicContact CG1-CB 4.38Å; S1128-D1131 PolarHBondContact N-OD2 3.37Å; S1128-D1131 PolarHBondContact O-N 3.1Å; D1131-L1135 WeakPolarHBondContact O-CB 3.5Å; D1131-L1135 VanDerWaalsContact O-CD1 3.28Å; D1131-L1135 WeakPolarHBondContact O-CD1 3.49Å; D1131-L1135 WeakPolarHBondContact O-CG 3.42Å; D1131-L1135 PolarHBondContact O-N 3.27Å |
| 1132 | I | 41.3 | Very low | 39.2 | Very low | 85 Ų | 85 | 108.7 Ų | 108.7 | 44% | 0.436 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -71.9 | -43 | 173.9 | -59.8 | 178.2 | 0 | 0 | 0 | 110.2 | V1127 L1135 K1136 | V1127-I1132 HydrophobicContact CG1-CD1 3.64Å; V1127-I1132 HydrophobicContact CG1-CG1 3.4Å; V1127-I1132 VanDerWaalsContact CG1-CG1 3.4Å; I1132-L1135 PolarHBondContact O-N 3.44Å; I1132-K1136 PolarHBondContact O-N 3.31Å; I1132-K1136 VanDerWaalsContact O-N 3.15Å |
| 1133 | D | 45 | Very low | 38.3 | Very low | 77 Ų | 77 | 112.4 Ų | 112.4 | 41% | 0.412 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -77.6 | -28.3 | 179.1 | -78.4 | -25.3 | 0 | 0 | 0 | 113.2 | F1129 K1136 S1137 | F1129-D1133 PolarHBondContact O-N 3.3Å; D1133-K1136 CarbonylContact O-C 3.6Å; D1133-K1136 WeakPolarHBondContact O-CA 3.49Å; D1133-K1136 WeakPolarHBondContact O-CB 3.43Å; D1133-K1136 PolarHBondContact O-N 2.85Å; D1133-K1136 VanDerWaalsContact O-N 3.14Å; D1133-S1137 WeakPolarHBondContact O-CB 3.16Å; D1133-S1137 PolarHBondContact O-N 3.26Å; D1133-S1137 PolarHBondContact O-OG 3.48Å |
| 1134 | R | 42.1 | Very low | 37.8 | Very low | 161 Ų | 161 | 110.7 Ų | 110.7 | 61% | 0.608 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.6 | -39.3 | 169.6 | -82.6 | 173.5 | 172.5 | 173.9 | -1.5 | 112 | D1130 K1136 S1137 D1138 | D1130-R1134 WeakPolarHBondContact O-CB 3.41Å; D1130-R1134 WeakPolarHBondContact O-CG 3.49Å; D1130-R1134 PolarHBondContact O-N 2.86Å; R1134-K1136 PolarHBondContact O-N 2.86Å; R1134-S1137 WeakPolarHBondContact CA-OG 3.17Å; R1134-S1137 PolarHBondContact O-N 3.47Å; R1134-S1137 PolarHBondContact O-OG 2.93Å; R1134-S1137 VanDerWaalsContact O-OG 3.09Å; R1134-D1138 WeakPolarHBondContact O-CB 3.46Å; R1134-D1138 PolarHBondContact O-N 2.82Å; R1134-D1138 VanDerWaalsContact O-N 3.14Å |
| 1135 | L | 39.7 | Very low | 37.7 | Very low | 130 Ų | 130 | 108.3 Ų | 108.3 | 68% | 0.681 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.8 | -27.6 | 171.8 | -72.7 | 166.5 | 0 | 0 | 0 | 111.9 | D1131 I1132 | D1131-L1135 WeakPolarHBondContact O-CB 3.5Å; D1131-L1135 VanDerWaalsContact O-CD1 3.28Å; D1131-L1135 WeakPolarHBondContact O-CD1 3.49Å; D1131-L1135 WeakPolarHBondContact O-CG 3.42Å; D1131-L1135 PolarHBondContact O-N 3.27Å; I1132-L1135 PolarHBondContact O-N 3.44Å |
| 1136 | K | 42.7 | Very low | 37.7 | Very low | 169 Ų | 169 | 109.9 Ų | 109.9 | 74% | 0.735 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -80.8 | -31.3 | 175.5 | -147.4 | 176.6 | -174.1 | -177.9 | 0 | 113.1 | I1132 D1133 R1134 | I1132-K1136 PolarHBondContact O-N 3.31Å; I1132-K1136 VanDerWaalsContact O-N 3.15Å; D1133-K1136 CarbonylContact O-C 3.6Å; D1133-K1136 WeakPolarHBondContact O-CA 3.49Å; D1133-K1136 WeakPolarHBondContact O-CB 3.43Å; D1133-K1136 PolarHBondContact O-N 2.85Å; D1133-K1136 VanDerWaalsContact O-N 3.14Å; R1134-K1136 PolarHBondContact O-N 2.86Å |
| 1137 | S | 50.2 | Low | 37.7 | Very low | 89 Ų | 89 | 114.9 Ų | 114.9 | 62% | 0.622 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -81.1 | -23.3 | 178.7 | 67 | 0 | 0 | 0 | 0 | 114 | D1133 R1134 G1139 | D1133-S1137 WeakPolarHBondContact O-CB 3.16Å; D1133-S1137 PolarHBondContact O-N 3.26Å; D1133-S1137 PolarHBondContact O-OG 3.48Å; R1134-S1137 WeakPolarHBondContact CA-OG 3.17Å; R1134-S1137 PolarHBondContact O-N 3.47Å; R1134-S1137 PolarHBondContact O-OG 2.93Å; R1134-S1137 VanDerWaalsContact O-OG 3.09Å; S1137-G1139 PolarHBondContact O-N 3.44Å |
| 1138 | D | 41.9 | Very low | 37.4 | Very low | 123 Ų | 123 | 116.2 Ų | 116.2 | 66% | 0.658 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 11.7 | -177.2 | -99.4 | 5.2 | 0 | 0 | 0 | 114.9 | R1134 R1140 | R1134-D1138 WeakPolarHBondContact O-CB 3.46Å; R1134-D1138 PolarHBondContact O-N 2.82Å; R1134-D1138 VanDerWaalsContact O-N 3.14Å; D1138-R1140 PolarHBondContact O-N 2.83Å |
| 1139 | G | 38 | Very low | 37.4 | Very low | 73 Ų | 73 | 118.4 Ų | 118.4 | 75% | 0.753 | 62% | 0.62 | S | S | * | * | trans | 62 | 13.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | S1137 S1141 | S1137-G1139 PolarHBondContact O-N 3.44Å; G1139-S1141 PolarHBondContact O-N 3.4Å | ||
| 1140 | R | 35.8 | Very low | 36.9 | Very low | 215 Ų | 215 | 118.6 Ų | 118.6 | 81% | 0.811 | 63% | 0.625 | S | S | * | * | trans | -81.6 | 112.4 | 168.2 | -72 | -174.3 | -168.4 | -179.2 | 4.7 | 108.6 | D1138 L1142 | D1138-R1140 PolarHBondContact O-N 2.83Å; R1140-L1142 PolarHBondContact O-N 3.49Å | ||
| 1141 | S | 30.7 | Very low | 36.5 | Very low | 106 Ų | 106 | 122.1 Ų | 122.1 | 74% | 0.741 | 64% | 0.643 | S | S | * | * | trans | -58.7 | 94 | 175.5 | 56.5 | 0 | 0 | 0 | 0 | 111.2 | G1139 D1143 | G1139-S1141 PolarHBondContact O-N 3.4Å; S1141-D1143 VanDerWaalsContact C-N 3.33Å | ||
| 1142 | L | 34.4 | Very low | 35.9 | Very low | 150 Ų | 150 | 126.9 Ų | 126.9 | 79% | 0.785 | 66% | 0.664 | S | S | * | * | trans | -95.5 | 71.9 | 156.2 | -103.3 | 144.4 | 0 | 0 | 0 | 107 | R1140 K1144 | R1140-L1142 PolarHBondContact O-N 3.49Å; L1142-K1144 PolarHBondContact O-N 3.13Å | ||
| 1143 | D | 32.6 | Very low | 35.3 | Very low | 151 Ų | 151 | 128.7 Ų | 128.7 | 81% | 0.807 | 68% | 0.681 | S | S | * | * | trans | -70.2 | 77 | 160.4 | -73.3 | -31.8 | 0 | 0 | 0 | 107.4 | S1141 | S1141-D1143 VanDerWaalsContact C-N 3.33Š| ||
| 1144 | K | 30.6 | Very low | 34.7 | Very low | 143 Ų | 143 | 129.8 Ų | 129.8 | 62% | 0.622 | 69% | 0.694 | S | S | * | * | S | Bend | trans | 173.6 | 122.3 | 157.3 | -99.2 | 166.8 | 178.4 | -120.3 | 0 | 110.4 | L1142 D1150 | L1142-K1144 PolarHBondContact O-N 3.13Å; K1144-D1150 IonicContact NZ-OD2 3.63Å; K1144-D1150 PolarHBondContact NZ-OD2 3.44Å |
| 1145 | E | 30 | Very low | 34.7 | Very low | 98 Ų | 98 | 129 Ų | 129 | 46% | 0.458 | 71% | 0.707 | S | S | . | * | trans | 79.3 | 104.5 | 153.7 | -57.4 | -168.1 | 146.3 | 0 | 0 | 119.3 | D1150 | E1145-D1150 WeakPolarHBondContact OE1-CA 3.11Å; E1145-D1150 WeakPolarHBondContact OE1-CB 3.45Å; E1145-D1150 PolarHBondContact OE1-N 3.06Å | ||
| 1146 | P | 31.3 | Very low | 34.3 | Very low | 99 Ų | 99 | 129.3 Ų | 129.3 | 64% | 0.643 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -50.4 | 141.6 | 131.7 | 28.3 | -35.1 | 0 | 0 | 0 | 107.4 | I1148 | P1146-I1148 HydrophobicContact CB-CD1 4.44Å; P1146-I1148 HydrophobicContact CB-CG1 4.37Å; P1146-I1148 HydrophobicContact CG-CD1 3.77Å; P1146-I1148 HydrophobicContact CG-CG1 4.06Å; P1146-I1148 WeakPolarHBondContact O-CA 3.26Å; P1146-I1148 PolarHBondContact O-N 2.86Å |
| 1147 | L | 31.3 | Very low | 33.8 | Very low | 191 Ų | 191 | 125.1 Ų | 125.1 | 100% | 1 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -52 | 78.6 | 173.5 | -93.9 | 145.6 | 0 | 0 | 0 | 111.8 | ||
| 1148 | I | 28.9 | Very low | 32.7 | Very low | 120 Ų | 120 | 125.2 Ų | 125.2 | 62% | 0.615 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -133 | 111.3 | 171.7 | -61.3 | -180 | 0 | 0 | 0 | 98.9 | P1146 D1150 | P1146-I1148 HydrophobicContact CB-CD1 4.44Å; P1146-I1148 HydrophobicContact CB-CG1 4.37Å; P1146-I1148 HydrophobicContact CG-CD1 3.77Å; P1146-I1148 HydrophobicContact CG-CG1 4.06Å; P1146-I1148 WeakPolarHBondContact O-CA 3.26Å; P1146-I1148 PolarHBondContact O-N 2.86Å; I1148-D1150 PolarHBondContact O-N 3.34Å |
| 1149 | V | 34.1 | Very low | 32.2 | Very low | 93 Ų | 93 | 127 Ų | 127 | 56% | 0.564 | 71% | 0.714 | S | S | * | * | trans | -60.6 | 117.8 | -174.2 | 174.6 | 0 | 0 | 0 | 0 | 109.5 | D1151 | V1149-D1151 PolarHBondContact O-N 3.42Š| ||
| 1150 | D | 28.3 | Very low | 31.6 | Very low | 77 Ų | 77 | 131.4 Ų | 131.4 | 41% | 0.412 | 72% | 0.715 | S | S | . | * | trans | -53 | 125.9 | 168.1 | -125.3 | -25.3 | 0 | 0 | 0 | 108.6 | K1144 E1145 I1148 Q1152 | K1144-D1150 IonicContact NZ-OD2 3.63Å; K1144-D1150 PolarHBondContact NZ-OD2 3.44Å; E1145-D1150 WeakPolarHBondContact OE1-CA 3.11Å; E1145-D1150 WeakPolarHBondContact OE1-CB 3.45Å; E1145-D1150 PolarHBondContact OE1-N 3.06Å; I1148-D1150 PolarHBondContact O-N 3.34Å; D1150-Q1152 PolarHBondContact O-N 2.83Å | ||
| 1151 | D | 33.4 | Very low | 31.3 | Very low | 157 Ų | 157 | 127 Ų | 127 | 84% | 0.84 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -79.8 | 39.7 | -174.8 | -125.4 | -3.1 | 0 | 0 | 0 | 112.3 | V1149 | V1149-D1151 PolarHBondContact O-N 3.42Š|
| 1152 | Q | 31.1 | Very low | 31.1 | Very low | 158 Ų | 158 | 130.7 Ų | 130.7 | 74% | 0.738 | 71% | 0.71 | S | S | * | * | trans | -124.7 | 115.9 | -174.9 | -73.4 | -85.9 | -47.2 | 0 | 0 | 111.7 | D1150 S1154 | D1150-Q1152 PolarHBondContact O-N 2.83Å; Q1152-S1154 PolarHBondContact O-N 3.42Å | ||
| 1153 | P | 29.9 | Very low | 30.8 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 79% | 0.792 | 70% | 0.701 | S | S | * | * | trans | -78.7 | 116.4 | -179.3 | 31.8 | -30 | 0 | 0 | 0 | 109.7 | ||||
| 1154 | S | 31.9 | Very low | 30.6 | Very low | 100 Ų | 100 | 130.2 Ų | 130.2 | 70% | 0.699 | 71% | 0.711 | S | S | * | * | trans | -86.7 | 141.7 | 163.3 | 66.9 | 0 | 0 | 0 | 0 | 110.1 | Q1152 N1156 | Q1152-S1154 PolarHBondContact O-N 3.42Å; S1154-N1156 PolarHBondContact O-N 2.93Å | ||
| 1155 | V | 41.8 | Very low | 30.5 | Very low | 145 Ų | 145 | 127 Ų | 127 | 88% | 0.879 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -67.3 | 0.8 | -161 | 173.7 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1156 | N | 31.9 | Very low | 30.3 | Very low | 137 Ų | 137 | 130.9 Ų | 130.9 | 73% | 0.733 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -129.3 | 96.3 | 176.8 | -77.9 | -18.5 | 0 | 0 | 0 | 110.9 | S1154 S1158 | S1154-N1156 PolarHBondContact O-N 2.93Å; N1156-S1158 VanDerWaalsContact C-N 3.35Å; N1156-S1158 PolarHBondContact O-N 3.34Å |
| 1157 | G | 32.5 | Very low | 30.3 | Very low | 81 Ų | 81 | 134.7 Ų | 134.7 | 84% | 0.835 | 74% | 0.739 | S | S | * | * | trans | -71.1 | 68.2 | -173 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1158 | S | 26.7 | Very low | 30.2 | Very low | 91 Ų | 91 | 134.6 Ų | 134.6 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | trans | -130.7 | 113.6 | 169.6 | 62.2 | 0 | 0 | 0 | 0 | 111.5 | N1156 | N1156-S1158 VanDerWaalsContact C-N 3.35Å; N1156-S1158 PolarHBondContact O-N 3.34Å | ||
| 1159 | Y | 30.9 | Very low | 30.2 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 63% | 0.627 | 74% | 0.739 | S | S | * | * | trans | -99.5 | 96.8 | 160.9 | -36.6 | -80.2 | 0 | 0 | 0 | 107.1 | L1161 | Y1159-L1161 PolarHBondContact O-N 3.48Š| ||
| 1160 | E | 25.8 | Very low | 30.1 | Very low | 166 Ų | 166 | 139.6 Ų | 139.6 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | -71.8 | 120.3 | 170.5 | -78.2 | -157.5 | 149 | 0 | 0 | 109.9 | K1162 | E1160-K1162 VanDerWaalsContact C-N 3.26Å; E1160-K1162 PolarHBondContact O-N 2.88Å | ||
| 1161 | L | 29.8 | Very low | 30.2 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 64% | 0.644 | 77% | 0.768 | S | S | * | * | trans | -69.6 | 88.2 | 160.1 | -157 | 96.4 | 0 | 0 | 0 | 106.8 | Y1159 T1163 | Y1159-L1161 PolarHBondContact O-N 3.48Å; L1161-T1163 PolarHBondContact O-N 3.22Å | ||
| 1162 | K | 26.5 | Very low | 30 | Very low | 183 Ų | 183 | 140.5 Ų | 140.5 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | trans | -62.6 | 104.6 | 179.3 | -138.3 | 177.7 | -170.8 | -179.1 | 0 | 108.9 | E1160 L1164 | E1160-K1162 VanDerWaalsContact C-N 3.26Å; E1160-K1162 PolarHBondContact O-N 2.88Å; K1162-L1164 PolarHBondContact O-N 2.92Å | ||
| 1163 | T | 27.3 | Very low | 29.9 | Very low | 99 Ų | 99 | 137.9 Ų | 137.9 | 61% | 0.607 | 77% | 0.77 | S | S | * | * | trans | -55.2 | 123.4 | 170.5 | 45.4 | 0 | 0 | 0 | 0 | 110 | L1161 S1165 | L1161-T1163 PolarHBondContact O-N 3.22Å; T1163-S1165 PolarHBondContact O-N 3.2Å | ||
| 1164 | L | 27.6 | Very low | 29.9 | Very low | 192 Ų | 192 | 138.6 Ų | 138.6 | 100% | 1.005 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -75 | 67.5 | 159.9 | -89.4 | 161.2 | 0 | 0 | 0 | 109 | K1162 | K1162-L1164 PolarHBondContact O-N 2.92Š|
| 1165 | S | 28.8 | Very low | 29.8 | Very low | 74 Ų | 74 | 138.3 Ų | 138.3 | 52% | 0.517 | 77% | 0.771 | S | S | . | * | trans | -142.5 | 126 | 163.3 | 60.1 | 0 | 0 | 0 | 0 | 107.2 | T1163 | T1163-S1165 PolarHBondContact O-N 3.2Š| ||
| 1166 | Q | 27.5 | Very low | 29.1 | Very low | 180 Ų | 180 | 137.2 Ų | 137.2 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | trans | 88.8 | 85.5 | 179 | -56 | 176.9 | -25.7 | 0 | 0 | 116.1 | ||||
| 1167 | D | 30.6 | Very low | 29 | Very low | 180 Ų | 180 | 134.2 Ų | 134.2 | 96% | 0.963 | 77% | 0.77 | S | S | * | * | trans | -117.6 | 82.6 | 131.9 | -91.6 | -28.2 | 0 | 0 | 0 | 107.8 | ||||
| 1168 | K | 29.3 | Very low | 28.7 | Very low | 188 Ų | 188 | 139.8 Ų | 139.8 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | trans | -106.2 | 102.7 | 154.9 | -119.2 | -173.8 | -179.3 | -179.2 | 0 | 103.7 | ||||
| 1169 | H | 29.1 | Very low | 28.9 | Very low | 173 Ų | 173 | 140.4 Ų | 140.4 | 80% | 0.801 | 79% | 0.786 | S | S | * | * | trans | -174.8 | 127.1 | 145.1 | -102.7 | -69.6 | 0 | 0 | 0 | 111.3 | ||||
| 1170 | D | 30.6 | Very low | 28.7 | Very low | 146 Ų | 146 | 143.7 Ų | 143.7 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | trans | 83.7 | 84.7 | 145.3 | -51.8 | -17.5 | 0 | 0 | 0 | 121.8 | ||||
| 1171 | G | 30.6 | Very low | 29 | Very low | 77 Ų | 77 | 143 Ų | 143 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | 51.1 | 108.4 | 120.7 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 1172 | L | 30.3 | Very low | 29.2 | Very low | 175 Ų | 175 | 148 Ų | 148 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | -159.4 | 133.7 | 126.8 | -150 | 75.8 | 0 | 0 | 0 | 111.2 | |||||
| 1173 | S | 28 | Very low | 29.6 | Very low | 103 Ų | 103 | 144.2 Ų | 144.2 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | trans | -60 | 127.6 | 179.3 | 49.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1174 | V | 30.2 | Very low | 30.3 | Very low | 138 Ų | 138 | 145.4 Ų | 145.4 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | trans | -140.6 | 114.4 | 148.3 | 179.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 1175 | S | 29.4 | Very low | 31.5 | Very low | 94 Ų | 94 | 139.9 Ų | 139.9 | 66% | 0.657 | 79% | 0.786 | S | S | * | * | trans | -7.3 | 124.3 | 165.5 | 56.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 1176 | S | 28.2 | Very low | 32.6 | Very low | 121 Ų | 121 | 144.7 Ų | 144.7 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | 19.1 | 109.5 | 128 | 59.8 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 1177 | G | 28.8 | Very low | 34 | Very low | 74 Ų | 74 | 140.3 Ų | 140.3 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | trans | -147.8 | 108.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1178 | E | 27.5 | Very low | 35.2 | Very low | 199 Ų | 199 | 136.5 Ų | 136.5 | 93% | 0.93 | 76% | 0.762 | S | S | * | * | trans | -56.9 | 125.4 | -180 | -63.6 | 159.8 | 129.6 | 0 | 0 | 112.1 | ||||
| 1179 | A | 29.8 | Very low | 36.8 | Very low | 104 Ų | 104 | 128.5 Ų | 128.5 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | trans | -118.6 | 89 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1180 | R | 28 | Very low | 38.6 | Very low | 229 Ų | 229 | 124 Ų | 124 | 86% | 0.864 | 71% | 0.714 | S | S | * | * | trans | -39.3 | 137.4 | 171.7 | -79.9 | 168.2 | 165 | 157.5 | -5.1 | 113.8 | R1182 | R1180-R1182 VanDerWaalsContact C-N 3.34Å; R1180-R1182 PolarHBondContact O-N 2.87Å | ||
| 1181 | T | 31.1 | Very low | 40.3 | Very low | 151 Ų | 151 | 123 Ų | 123 | 93% | 0.926 | 71% | 0.707 | S | S | * | * | trans | -41.9 | 91.3 | 147.4 | 29.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 1182 | R | 33.3 | Very low | 42.2 | Very low | 229 Ų | 229 | 123.6 Ų | 123.6 | 86% | 0.864 | 70% | 0.696 | S | S | * | * | trans | -90.8 | 112.6 | 172.9 | -127.2 | 177.8 | -173.9 | 161.8 | 0.3 | 108.2 | R1180 M1184 | R1180-R1182 VanDerWaalsContact C-N 3.34Å; R1180-R1182 PolarHBondContact O-N 2.87Å; R1182-M1184 PolarHBondContact O-N 3.49Å; R1182-M1184 VanDerWaalsContact O-N 3.1Å | ||
| 1183 | S | 36.1 | Very low | 44.2 | Very low | 103 Ų | 103 | 124 Ų | 124 | 72% | 0.72 | 69% | 0.687 | S | S | * | * | trans | -45.6 | 110.1 | 166.9 | 154.7 | 0 | 0 | 0 | 0 | 110.2 | T1185 | S1183-T1185 PolarHBondContact O-N 3.11Š| ||
| 1184 | M | 41.6 | Very low | 46.4 | Very low | 123 Ų | 123 | 122.1 Ų | 122.1 | 61% | 0.606 | 67% | 0.67 | S | S | * | * | trans | -56.1 | 121.6 | 170.9 | -85.9 | 177.3 | 74.6 | 0 | 0 | 109.3 | R1182 V1192 | R1182-M1184 PolarHBondContact O-N 3.49Å; R1182-M1184 VanDerWaalsContact O-N 3.1Å; M1184-V1192 HydrophobicContact CE-CG2 4.14Å | ||
| 1185 | T | 52.6 | Low | 48.7 | Very low | 77 Ų | 77 | 118.9 Ų | 118.9 | 47% | 0.472 | 65% | 0.654 | S | S | . | * | trans | -72.6 | 150.5 | 171.4 | 51.1 | 0 | 0 | 0 | 0 | 110.3 | S1183 C1187 E1188 G1189 | S1183-T1185 PolarHBondContact O-N 3.11Å; T1185-C1187 PolarHBondContact O-N 3.36Å; T1185-E1188 PolarHBondContact N-OE2 3.13Å; T1185-E1188 PolarHBondContact O-N 3.14Å; T1185-E1188 WeakPolarHBondContact OG1-CG 3.27Å; T1185-E1188 PolarHBondContact OG1-OE2 3.07Å; T1185-G1189 PolarHBondContact O-N 3.41Å | ||
| 1186 | F | 52.8 | Low | 51 | Low | 174 Ų | 174 | 117.9 Ų | 117.9 | 76% | 0.763 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -51.2 | -33.4 | 178.1 | -179 | -105 | 0 | 0 | 0 | 112.6 | G1189 I1190 | F1186-G1189 PolarHBondContact O-N 3.41Å; F1186-I1190 HydrophobicContact CD1-CD1 3.79Å; F1186-I1190 HydrophobicContact CE1-CD1 3.4Å; F1186-I1190 VanDerWaalsContact CE1-CD1 3.4Å; F1186-I1190 HydrophobicContact CE1-CG1 4.4Å; F1186-I1190 HydrophobicContact CZ-CD1 3.89Å; F1186-I1190 WeakPolarHBondContact O-CG1 3.5Å; F1186-I1190 PolarHBondContact O-N 3.29Å |
| 1187 | C | 55.9 | Low | 53.4 | Low | 88 Ų | 88 | 116.5 Ų | 116.5 | 60% | 0.595 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68 | -40.4 | 174.3 | -66.5 | 0 | 0 | 0 | 0 | 113.7 | T1185 G1189 I1190 L1191 | T1185-C1187 PolarHBondContact O-N 3.36Å; C1187-G1189 VanDerWaalsContact C-N 3.3Å; C1187-I1190 PolarHBondContact O-N 2.85Å; C1187-L1191 PolarHBondContact O-N 3.43Å |
| 1188 | E | 56.8 | Low | 55.9 | Low | 101 Ų | 101 | 116.2 Ų | 116.2 | 47% | 0.472 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.2 | -34 | 173.2 | -73.5 | 168 | 148.4 | 0 | 0 | 111 | T1185 L1191 V1192 | T1185-E1188 PolarHBondContact N-OE2 3.13Å; T1185-E1188 PolarHBondContact O-N 3.14Å; T1185-E1188 WeakPolarHBondContact OG1-CG 3.27Å; T1185-E1188 PolarHBondContact OG1-OE2 3.07Å; E1188-L1191 PolarHBondContact O-N 3.41Å; E1188-V1192 VanDerWaalsContact O-CG2 3.32Å; E1188-V1192 WeakPolarHBondContact O-CG2 3.37Å; E1188-V1192 PolarHBondContact O-N 3.19Å; E1188-V1192 VanDerWaalsContact O-N 3.16Å |
| 1189 | G | 63.3 | Low | 58.3 | Low | 19 Ų | 19 | 109.2 Ų | 109.2 | 20% | 0.196 | 58% | 0.583 | C | S | . | * | H | α-helix | trans | -59.8 | -46.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1185 F1186 C1187 V1192 Y1193 | T1185-G1189 PolarHBondContact O-N 3.41Å; F1186-G1189 PolarHBondContact O-N 3.41Å; C1187-G1189 VanDerWaalsContact C-N 3.3Å; G1189-V1192 PolarHBondContact O-N 2.83Å; G1189-Y1193 WeakPolarHBondContact O-CD2 3.43Å |
| 1190 | I | 66.4 | Low | 60.6 | Low | 80 Ų | 80 | 106.6 Ų | 106.6 | 41% | 0.41 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.4 | -40.4 | 175.8 | -68.2 | 168.9 | 0 | 0 | 0 | 111.2 | F1186 C1187 V1192 Y1193 V1194 | F1186-I1190 HydrophobicContact CD1-CD1 3.79Å; F1186-I1190 HydrophobicContact CE1-CD1 3.4Å; F1186-I1190 VanDerWaalsContact CE1-CD1 3.4Å; F1186-I1190 HydrophobicContact CE1-CG1 4.4Å; F1186-I1190 HydrophobicContact CZ-CD1 3.89Å; F1186-I1190 WeakPolarHBondContact O-CG1 3.5Å; F1186-I1190 PolarHBondContact O-N 3.29Å; C1187-I1190 PolarHBondContact O-N 2.85Å; I1190-V1192 VanDerWaalsContact C-N 3.26Å; I1190-V1192 PolarHBondContact O-N 3.47Å; I1190-Y1193 PolarHBondContact O-N 2.88Å; I1190-V1194 HydrophobicContact CG2-CG2 3.85Å; I1190-V1194 WeakPolarHBondContact O-CG2 3.3Å; I1190-V1194 PolarHBondContact O-N 2.92Å |
| 1191 | L | 66.6 | Low | 63.2 | Low | 123 Ų | 123 | 98.8 Ų | 98.8 | 64% | 0.644 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.5 | -31.3 | -179 | -129.6 | 116.9 | 0 | 0 | 0 | 112.8 | C1187 E1188 Y1193 V1194 S1195 | C1187-L1191 PolarHBondContact O-N 3.43Å; E1188-L1191 PolarHBondContact O-N 3.41Å; L1191-Y1193 VanDerWaalsContact C-N 3.33Å; L1191-V1194 PolarHBondContact O-N 3.22Å; L1191-S1195 WeakPolarHBondContact O-CB 3.34Å; L1191-S1195 PolarHBondContact O-N 3.03Å |
| 1192 | V | 70.6 | Confident | 65.6 | Low | 91 Ų | 91 | 99.6 Ų | 99.6 | 55% | 0.552 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.7 | -36 | 173.7 | 171.1 | 0 | 0 | 0 | 0 | 111.7 | M1184 E1188 G1189 I1190 P1196 | M1184-V1192 HydrophobicContact CE-CG2 4.14Å; E1188-V1192 VanDerWaalsContact O-CG2 3.32Å; E1188-V1192 WeakPolarHBondContact O-CG2 3.37Å; E1188-V1192 PolarHBondContact O-N 3.19Å; E1188-V1192 VanDerWaalsContact O-N 3.16Å; G1189-V1192 PolarHBondContact O-N 2.83Å; I1190-V1192 VanDerWaalsContact C-N 3.26Å; I1190-V1192 PolarHBondContact O-N 3.47Å; V1192-P1196 WeakPolarHBondContact O-CD 3.46Å |
| 1193 | Y | 70.8 | Confident | 67.5 | Low | 184 Ų | 184 | 97.2 Ų | 97.2 | 72% | 0.722 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -79 | -31.8 | 174.5 | -68.3 | -74.4 | 0 | 0 | 0 | 113 | G1189 I1190 L1191 | G1189-Y1193 WeakPolarHBondContact O-CD2 3.43Å; I1190-Y1193 PolarHBondContact O-N 2.88Å; L1191-Y1193 VanDerWaalsContact C-N 3.33Å |
| 1194 | V | 75.8 | Confident | 69.3 | Low | 62 Ų | 62 | 93.5 Ų | 93.5 | 38% | 0.376 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -82.3 | -33.6 | -177 | 174.2 | 0 | 0 | 0 | 0 | 112.6 | I1190 L1191 I1197 V1198 | I1190-V1194 HydrophobicContact CG2-CG2 3.85Å; I1190-V1194 WeakPolarHBondContact O-CG2 3.3Å; I1190-V1194 PolarHBondContact O-N 2.92Å; L1191-V1194 PolarHBondContact O-N 3.22Å; V1194-I1197 WeakPolarHBondContact O-CB 3.29Å; V1194-I1197 PolarHBondContact O-N 2.91Å; V1194-V1198 HydrophobicContact CG1-CG2 3.71Å; V1194-V1198 WeakPolarHBondContact O-CG2 3.26Å; V1194-V1198 PolarHBondContact O-N 3.41Å |
| 1195 | S | 78.6 | Confident | 70.9 | Confident | 70 Ų | 70 | 90.1 Ų | 90.1 | 49% | 0.49 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -56.5 | -45 | -177.7 | 174.9 | 0 | 0 | 0 | 0 | 113.9 | L1191 I1197 V1198 S1199 | L1191-S1195 WeakPolarHBondContact O-CB 3.34Å; L1191-S1195 PolarHBondContact O-N 3.03Å; S1195-I1197 VanDerWaalsContact C-N 3.32Å; S1195-I1197 PolarHBondContact O-N 3.25Å; S1195-V1198 PolarHBondContact O-N 2.92Å; S1195-S1199 WeakPolarHBondContact O-CB 3.45Å; S1195-S1199 PolarHBondContact O-N 3.23Å; S1195-S1199 PolarHBondContact O-OG 2.92Å |
| 1196 | P | 77.9 | Confident | 71.9 | Confident | 73 Ų | 73 | 91.8 Ų | 91.8 | 47% | 0.474 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.1 | -39.1 | 172.9 | -24.8 | 34.9 | 0 | 0 | 0 | 113.2 | V1192 S1199 F1200 | V1192-P1196 WeakPolarHBondContact O-CD 3.46Å; P1196-S1199 WeakPolarHBondContact CA-OG 3.42Å; P1196-S1199 PolarHBondContact O-N 2.95Å; P1196-S1199 PolarHBondContact O-OG 2.83Å; P1196-F1200 WeakPolarHBondContact O-CB 3.27Å; P1196-F1200 PolarHBondContact O-N 3.08Å |
| 1197 | I | 77.5 | Confident | 72.7 | Confident | 92 Ų | 92 | 85.1 Ų | 85.1 | 47% | 0.472 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.9 | -45.2 | 179.4 | -61 | 172.6 | 0 | 0 | 0 | 110.4 | V1194 S1195 S1199 F1200 F1201 | V1194-I1197 WeakPolarHBondContact O-CB 3.29Å; V1194-I1197 PolarHBondContact O-N 2.91Å; S1195-I1197 VanDerWaalsContact C-N 3.32Å; S1195-I1197 PolarHBondContact O-N 3.25Å; I1197-S1199 VanDerWaalsContact C-N 3.34Å; I1197-S1199 PolarHBondContact O-N 3.34Å; I1197-F1200 WeakPolarHBondContact O-CB 3.36Å; I1197-F1200 PolarHBondContact O-N 3.34Å; I1197-F1201 HydrophobicContact CG2-CD2 3.75Å; I1197-F1201 HydrophobicContact CG2-CE2 3.59Å; I1197-F1201 VanDerWaalsContact O-CD2 3.25Å; I1197-F1201 WeakPolarHBondContact O-CD2 3.49Å; I1197-F1201 PolarHBondContact O-N 2.98Å |
| 1198 | V | 81 | Confident | 72.7 | Confident | 68 Ų | 68 | 85.3 Ų | 85.3 | 41% | 0.412 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 177.4 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | V1194 S1195 F1201 R1202 | V1194-V1198 HydrophobicContact CG1-CG2 3.71Å; V1194-V1198 WeakPolarHBondContact O-CG2 3.26Å; V1194-V1198 PolarHBondContact O-N 3.41Å; S1195-V1198 PolarHBondContact O-N 2.92Å; V1198-F1201 PolarHBondContact O-N 3.41Å; V1198-R1202 WeakPolarHBondContact O-CB 3.4Å; V1198-R1202 PolarHBondContact O-N 2.62Å |
| 1199 | S | 78.6 | Confident | 72.9 | Confident | 52 Ų | 52 | 82.7 Ų | 82.7 | 36% | 0.364 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.7 | -37 | 176.5 | 67.4 | 0 | 0 | 0 | 0 | 112.5 | S1195 P1196 I1197 R1202 R1203 | S1195-S1199 WeakPolarHBondContact O-CB 3.45Å; S1195-S1199 PolarHBondContact O-N 3.23Å; S1195-S1199 PolarHBondContact O-OG 2.92Å; P1196-S1199 WeakPolarHBondContact CA-OG 3.42Å; P1196-S1199 PolarHBondContact O-N 2.95Å; P1196-S1199 PolarHBondContact O-OG 2.83Å; I1197-S1199 VanDerWaalsContact C-N 3.34Å; I1197-S1199 PolarHBondContact O-N 3.34Å; S1199-R1202 PolarHBondContact O-N 3.16Å; S1199-R1203 WeakPolarHBondContact O-CG 3.48Å; S1199-R1203 PolarHBondContact O-N 3.23Å |
| 1200 | F | 78.7 | Confident | 72.8 | Confident | 49 Ų | 49 | 89.8 Ų | 89.8 | 22% | 0.215 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -60.2 | -54.7 | 172.2 | 171.8 | -105.1 | 0 | 0 | 0 | 111.5 | L1037 P1196 I1197 R1202 R1203 V1204 | L1037-F1200 HydrophobicContact CB-CZ 4.22Å; P1196-F1200 WeakPolarHBondContact O-CB 3.27Å; P1196-F1200 PolarHBondContact O-N 3.08Å; I1197-F1200 WeakPolarHBondContact O-CB 3.36Å; I1197-F1200 PolarHBondContact O-N 3.34Å; F1200-R1202 VanDerWaalsContact C-N 3.27Å; F1200-R1202 PolarHBondContact O-N 3.4Å; F1200-R1203 PolarHBondContact O-N 3.25Å; F1200-R1203 VanDerWaalsContact O-N 3.1Å; F1200-V1204 HydrophobicContact CD1-CG2 4.47Å; F1200-V1204 HydrophobicContact CD2-CG2 4.23Å; F1200-V1204 HydrophobicContact CE1-CG2 4.07Å; F1200-V1204 HydrophobicContact CE2-CG2 3.77Å; F1200-V1204 HydrophobicContact CZ-CG2 3.69Å; F1200-V1204 WeakPolarHBondContact O-CG2 3.32Å; F1200-V1204 PolarHBondContact O-N 3.12Å |
| 1201 | F | 80.8 | Confident | 72.5 | Confident | 65 Ų | 65 | 90.9 Ų | 90.9 | 29% | 0.285 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.4 | -35.5 | 178.7 | -78.8 | -67.7 | 0 | 0 | 0 | 112.5 | I1197 V1198 R1203 V1204 L1205 L1286 Y1290 | I1197-F1201 HydrophobicContact CG2-CD2 3.75Å; I1197-F1201 HydrophobicContact CG2-CE2 3.59Å; I1197-F1201 VanDerWaalsContact O-CD2 3.25Å; I1197-F1201 WeakPolarHBondContact O-CD2 3.49Å; I1197-F1201 PolarHBondContact O-N 2.98Å; V1198-F1201 PolarHBondContact O-N 3.41Å; F1201-R1203 PolarHBondContact O-N 2.93Å; F1201-V1204 PolarHBondContact O-N 3.27Å; F1201-L1205 WeakPolarHBondContact O-CB 3.31Å; F1201-L1205 VanDerWaalsContact O-CG 3.26Å; F1201-L1205 WeakPolarHBondContact O-CG 3.45Å; F1201-L1205 PolarHBondContact O-N 3Å; F1201-L1286 HydrophobicContact CD1-CD2 3.82Å; F1201-L1286 HydrophobicContact CE1-CD2 3.82Å; F1201-Y1290 HydrophobicContact CE1-CE2 4.29Å |
| 1202 | R | 82 | Confident | 72.4 | Confident | 168 Ų | 168 | 90 Ų | 90 | 63% | 0.634 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62.7 | -41.2 | 175.3 | -169.7 | -179.5 | -64.7 | 174.2 | -0.4 | 112 | V1198 S1199 F1200 N1206 | V1198-R1202 WeakPolarHBondContact O-CB 3.4Å; V1198-R1202 PolarHBondContact O-N 2.62Å; S1199-R1202 PolarHBondContact O-N 3.16Å; F1200-R1202 VanDerWaalsContact C-N 3.27Å; F1200-R1202 PolarHBondContact O-N 3.4Å; R1202-N1206 PolarHBondContact O-N 2.8Å |
| 1203 | R | 73.8 | Confident | 72.2 | Confident | 179 Ų | 179 | 88.3 Ų | 88.3 | 68% | 0.675 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -68.3 | -38.4 | 176.3 | -73.5 | 176.5 | 178.2 | -174.6 | -0.5 | 112.7 | S1199 F1200 F1201 N1206 P1207 | S1199-R1203 WeakPolarHBondContact O-CG 3.48Å; S1199-R1203 PolarHBondContact O-N 3.23Å; F1200-R1203 PolarHBondContact O-N 3.25Å; F1200-R1203 VanDerWaalsContact O-N 3.1Å; F1201-R1203 PolarHBondContact O-N 2.93Å; R1203-N1206 CarbonylContact O-C 3.58Å; R1203-P1207 WeakPolarHBondContact O-CA 3.37Å |
| 1204 | V | 73.3 | Confident | 71.9 | Confident | 26 Ų | 26 | 84.1 Ų | 84.1 | 16% | 0.158 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -66.9 | -41.1 | 176.9 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | F1200 F1201 | F1200-V1204 HydrophobicContact CD1-CG2 4.47Å; F1200-V1204 HydrophobicContact CD2-CG2 4.23Å; F1200-V1204 HydrophobicContact CE1-CG2 4.07Å; F1200-V1204 HydrophobicContact CE2-CG2 3.77Å; F1200-V1204 HydrophobicContact CZ-CG2 3.69Å; F1200-V1204 WeakPolarHBondContact O-CG2 3.32Å; F1200-V1204 PolarHBondContact O-N 3.12Å; F1201-V1204 PolarHBondContact O-N 3.27Å |
| 1205 | L | 76.4 | Confident | 71.7 | Confident | 51 Ų | 51 | 83.4 Ų | 83.4 | 27% | 0.267 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -75 | -38 | -179.2 | -70.2 | 171.7 | 0 | 0 | 0 | 113 | F1201 V1282 V1283 | F1201-L1205 WeakPolarHBondContact O-CB 3.31Å; F1201-L1205 VanDerWaalsContact O-CG 3.26Å; F1201-L1205 WeakPolarHBondContact O-CG 3.45Å; F1201-L1205 PolarHBondContact O-N 3Å; L1205-V1282 HydrophobicContact CD2-CG1 4.29Å; L1205-V1283 HydrophobicContact CD1-CG2 4.43Å; L1205-V1283 HydrophobicContact CD2-CB 4.43Å; L1205-V1283 HydrophobicContact CD2-CG2 3.57Å |
| 1206 | N | 73.3 | Confident | 71.6 | Confident | 113 Ų | 113 | 81.2 Ų | 81.2 | 60% | 0.604 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -127.6 | 75.2 | -178.6 | -65.5 | -32.2 | 0 | 0 | 0 | 110.3 | R1202 R1203 | R1202-N1206 PolarHBondContact O-N 2.8Å; R1203-N1206 CarbonylContact O-C 3.58Å |
| 1207 | P | 69.6 | Low | 71.3 | Confident | 33 Ų | 33 | 81.1 Ų | 81.1 | 21% | 0.214 | 40% | 0.401 | C | S | . | . | trans | -69.9 | 149.1 | 172.9 | 31.4 | -35.3 | 0 | 0 | 0 | 109.9 | R1203 F1209 R1210 | R1203-P1207 WeakPolarHBondContact O-CA 3.37Å; P1207-F1209 WeakPolarHBondContact CB-O 2.98Å; P1207-F1209 PolarHBondContact O-N 3.18Å; P1207-R1210 HydrophobicContact CG-CG 4.07Å | ||
| 1208 | P | 55.6 | Low | 71 | Confident | 92 Ų | 92 | 81.2 Ų | 81.2 | 60% | 0.597 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -64.4 | -28.5 | 178.8 | 25.1 | -33.2 | 0 | 0 | 0 | 112.8 | ||
| 1209 | F | 59.9 | Low | 70.4 | Confident | 47 Ų | 47 | 78.8 Ų | 78.8 | 21% | 0.206 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -126.9 | 135.1 | 173 | -63.1 | -90.3 | 0 | 0 | 0 | 109.2 | M752 F1129 P1207 | M752-F1209 HydrophobicContact SD-CB 3.95Å; M752-F1209 HydrophobicContact SD-CG 4.37Å; F1129-F1209 HydrophobicContact CD1-CD2 4.29Å; F1129-F1209 AromaticContact CD1-CE2 3.21Å; F1129-F1209 HydrophobicContact CD1-CE2 3.21Å; F1129-F1209 AromaticContact CD1-CZ 3.69Å; F1129-F1209 HydrophobicContact CD1-CZ 3.69Å; F1129-F1209 HydrophobicContact CD2-CD2 4.36Å; F1129-F1209 AromaticContact CD2-CE2 3.99Å; F1129-F1209 HydrophobicContact CD2-CE2 3.99Å; F1129-F1209 AromaticContact CE1-CD2 3.95Å; F1129-F1209 HydrophobicContact CE1-CD2 3.95Å; F1129-F1209 HydrophobicContact CE1-CE1 4.25Å; F1129-F1209 AromaticContact CE1-CE2 2.91Å; F1129-F1209 HydrophobicContact CE1-CE2 2.91Å; F1129-F1209 AromaticContact CE1-CZ 3.09Å; F1129-F1209 HydrophobicContact CE1-CZ 3.09Å; F1129-F1209 AromaticContact CE2-CD2 3.99Å; F1129-F1209 HydrophobicContact CE2-CD2 3.99Å; F1129-F1209 AromaticContact CE2-CE2 3.73Å; F1129-F1209 HydrophobicContact CE2-CE2 3.73Å; F1129-F1209 HydrophobicContact CG-CD2 4.47Å; F1129-F1209 AromaticContact CG-CE2 3.73Å; F1129-F1209 HydrophobicContact CG-CE2 3.73Å; F1129-F1209 AromaticContact CZ-CD2 3.75Å; F1129-F1209 HydrophobicContact CZ-CD2 3.75Å; F1129-F1209 HydrophobicContact CZ-CE1 4.47Å; F1129-F1209 AromaticContact CZ-CE2 3.17Å; F1129-F1209 HydrophobicContact CZ-CE2 3.17Å; F1129-F1209 AromaticContact CZ-CZ 3.58Å; F1129-F1209 HydrophobicContact CZ-CZ 3.58Å; P1207-F1209 WeakPolarHBondContact CB-O 2.98Å; P1207-F1209 PolarHBondContact O-N 3.18Å |
| 1210 | R | 61.5 | Low | 70.4 | Confident | 168 Ų | 168 | 78.8 Ų | 78.8 | 63% | 0.634 | 37% | 0.373 | S | S | * | . | trans | -102.2 | 111.7 | 176.6 | -72.7 | -177.5 | 174.7 | -171.6 | -1.9 | 109.6 | P1207 I1212 | P1207-R1210 HydrophobicContact CG-CG 4.07Å; R1210-I1212 HydrophobicContact CB-CD1 4.5Å; R1210-I1212 HydrophobicContact CB-CG1 4.16Å; R1210-I1212 PolarHBondContact O-N 3.41Å | ||
| 1211 | Y | 60.8 | Low | 70.1 | Confident | 103 Ų | 103 | 80 Ų | 80 | 40% | 0.404 | 38% | 0.381 | S | S | . | . | trans | -82 | 106.2 | 165.2 | -174.1 | -95.4 | 0 | 0 | 0 | 107.7 | Q755 V1213 | Q755-Y1211 PolarHBondContact NE2-OH 3.41Å; Y1211-V1213 HydrophobicContact CD1-CB 4.45Å; Y1211-V1213 HydrophobicContact CD1-CG2 3.83Å; Y1211-V1213 HydrophobicContact CE1-CB 3.95Å; Y1211-V1213 HydrophobicContact CE1-CG2 3.15Å; Y1211-V1213 HydrophobicContact CE2-CG2 4.48Å | ||
| 1212 | I | 64.8 | Low | 69.6 | Low | 105 Ų | 105 | 78 Ų | 78 | 54% | 0.538 | 38% | 0.375 | S | S | . | . | trans | -102.6 | 109 | -177.6 | -55.5 | 173.2 | 0 | 0 | 0 | 107.8 | R1210 | R1210-I1212 HydrophobicContact CB-CD1 4.5Å; R1210-I1212 HydrophobicContact CB-CG1 4.16Å; R1210-I1212 PolarHBondContact O-N 3.41Å | ||
| 1213 | V | 65.1 | Low | 69.3 | Low | 54 Ų | 54 | 71 Ų | 71 | 33% | 0.327 | 35% | 0.35 | S | S | . | . | trans | -130.3 | 135.7 | 170.8 | 174.4 | 0 | 0 | 0 | 0 | 108.7 | Y1211 F1215 | Y1211-V1213 HydrophobicContact CD1-CB 4.45Å; Y1211-V1213 HydrophobicContact CD1-CG2 3.83Å; Y1211-V1213 HydrophobicContact CE1-CB 3.95Å; Y1211-V1213 HydrophobicContact CE1-CG2 3.15Å; Y1211-V1213 HydrophobicContact CE2-CG2 4.48Å; V1213-F1215 HydrophobicContact CB-CD2 4.18Å; V1213-F1215 HydrophobicContact CB-CE2 3.62Å; V1213-F1215 HydrophobicContact CB-CZ 4.06Å; V1213-F1215 HydrophobicContact CG1-CD1 4.39Å; V1213-F1215 HydrophobicContact CG1-CD2 3.91Å; V1213-F1215 HydrophobicContact CG1-CE1 3.96Å; V1213-F1215 HydrophobicContact CG1-CE2 3.44Å; V1213-F1215 VanDerWaalsContact CG1-CE2 3.44Å; V1213-F1215 HydrophobicContact CG1-CG 4.37Å; V1213-F1215 HydrophobicContact CG1-CZ 3.46Å; V1213-F1215 VanDerWaalsContact CG1-CZ 3.46Å; V1213-F1215 PolarHBondContact O-N 3.06Å | ||
| 1214 | D | 65.9 | Low | 69.4 | Low | 97 Ų | 97 | 65 Ų | 65 | 52% | 0.519 | 33% | 0.329 | S | S | . | . | trans | -88.5 | 98.5 | 179.2 | -168.1 | -2.4 | 0 | 0 | 0 | 111.6 | Y1216 Y1277 | D1214-Y1216 WeakPolarHBondContact OD1-CB 3.29Å; D1214-Y1216 PolarHBondContact OD1-N 3.31Å; D1214-Y1277 WeakPolarHBondContact OD1-CE2 3.16Å; D1214-Y1277 PolarHBondContact OD2-OH 3.44Å | ||
| 1215 | F | 70.3 | Confident | 69.6 | Low | 46 Ų | 46 | 67.4 Ų | 67.4 | 20% | 0.202 | 34% | 0.34 | C | S | . | . | trans | -91.2 | 0.2 | 174.3 | -67.9 | -73.5 | 0 | 0 | 0 | 113.7 | V1213 A1217 W1218 M1219 E1333 | V1213-F1215 HydrophobicContact CB-CD2 4.18Å; V1213-F1215 HydrophobicContact CB-CE2 3.62Å; V1213-F1215 HydrophobicContact CB-CZ 4.06Å; V1213-F1215 HydrophobicContact CG1-CD1 4.39Å; V1213-F1215 HydrophobicContact CG1-CD2 3.91Å; V1213-F1215 HydrophobicContact CG1-CE1 3.96Å; V1213-F1215 HydrophobicContact CG1-CE2 3.44Å; V1213-F1215 VanDerWaalsContact CG1-CE2 3.44Å; V1213-F1215 HydrophobicContact CG1-CG 4.37Å; V1213-F1215 HydrophobicContact CG1-CZ 3.46Å; V1213-F1215 VanDerWaalsContact CG1-CZ 3.46Å; V1213-F1215 PolarHBondContact O-N 3.06Å; F1215-A1217 VanDerWaalsContact C-N 3.33Å; F1215-A1217 PolarHBondContact O-N 3.02Å; F1215-W1218 PolarHBondContact O-N 2.92Å; F1215-W1218 VanDerWaalsContact O-N 3.11Å; F1215-M1219 WeakPolarHBondContact O-CG 3.31Å; F1215-M1219 PolarHBondContact O-N 3.02Å; F1215-E1333 VanDerWaalsContact CD1-O 3.24Å; F1215-E1333 WeakPolarHBondContact CD1-O 3.21Å; F1215-E1333 WeakPolarHBondContact CE1-O 3.48Å | ||
| 1216 | Y | 77.2 | Confident | 69.2 | Low | 25 Ų | 25 | 65.2 Ų | 65.2 | 10% | 0.098 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.2 | -38.7 | -169.6 | -179.9 | -96.8 | 0 | 0 | 0 | 113.7 | D1214 W1218 M1219 F1220 R1274 Y1277 | D1214-Y1216 WeakPolarHBondContact OD1-CB 3.29Å; D1214-Y1216 PolarHBondContact OD1-N 3.31Å; Y1216-W1218 VanDerWaalsContact C-N 3.3Å; Y1216-W1218 PolarHBondContact O-N 3.31Å; Y1216-M1219 PolarHBondContact O-N 3.45Å; Y1216-F1220 HydrophobicContact CE1-CB 4.21Å; Y1216-F1220 WeakPolarHBondContact O-CB 3.22Å; Y1216-F1220 PolarHBondContact O-N 3.19Å; Y1216-R1274 VanDerWaalsContact CZ-CD 3.43Å; Y1216-R1274 WeakPolarHBondContact OH-CB 3.39Å; Y1216-R1274 WeakPolarHBondContact OH-CD 3.42Å; Y1216-Y1277 VanDerWaalsContact CB-CE2 3.4Å; Y1216-Y1277 HydrophobicContact CD1-CD1 4.25Å; Y1216-Y1277 HydrophobicContact CD1-CE1 4.18Å; Y1216-Y1277 HydrophobicContact CD1-CG 4.48Å; Y1216-Y1277 HydrophobicContact CD2-CD1 4.13Å; Y1216-Y1277 AromaticContact CD2-CD2 3.76Å; Y1216-Y1277 HydrophobicContact CD2-CD2 3.76Å; Y1216-Y1277 HydrophobicContact CD2-CE2 4.36Å; Y1216-Y1277 AromaticContact CD2-CG 3.61Å; Y1216-Y1277 HydrophobicContact CD2-CG 3.61Å; Y1216-Y1277 HydrophobicContact CE2-CD1 4.45Å; Y1216-Y1277 HydrophobicContact CE2-CG 4.15Å; Y1216-Y1277 HydrophobicContact CG-CD1 4.04Å; Y1216-Y1277 AromaticContact CG-CD2 3.74Å; Y1216-Y1277 HydrophobicContact CG-CD2 3.74Å; Y1216-Y1277 HydrophobicContact CG-CE1 4.17Å; Y1216-Y1277 AromaticContact CG-CE2 3.86Å; Y1216-Y1277 HydrophobicContact CG-CE2 3.86Å; Y1216-Y1277 AromaticContact CG-CG 3.82Å; Y1216-Y1277 HydrophobicContact CG-CG 3.82Å |
| 1217 | A | 70.8 | Confident | 69.4 | Low | 71 Ų | 71 | 62.8 Ų | 62.8 | 59% | 0.587 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -60.3 | -40.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | F1215 L1221 | F1215-A1217 VanDerWaalsContact C-N 3.33Å; F1215-A1217 PolarHBondContact O-N 3.02Å; A1217-L1221 WeakPolarHBondContact O-CB 3.43Å; A1217-L1221 PolarHBondContact O-N 3.46Å |
| 1218 | W | 71.3 | Confident | 69.7 | Low | 94 Ų | 94 | 64.2 Ų | 64.2 | 36% | 0.356 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -69.3 | -44.1 | 175.2 | -69.7 | 111.7 | 0 | 0 | 0 | 111.4 | F1215 Y1216 F1220 L1221 C1222 | F1215-W1218 PolarHBondContact O-N 2.92Å; F1215-W1218 VanDerWaalsContact O-N 3.11Å; Y1216-W1218 VanDerWaalsContact C-N 3.3Å; Y1216-W1218 PolarHBondContact O-N 3.31Å; W1218-F1220 VanDerWaalsContact C-N 3.34Å; W1218-F1220 PolarHBondContact O-N 3.47Å; W1218-L1221 HydrophobicContact CE3-CD2 3.9Å; W1218-L1221 HydrophobicContact CZ3-CD2 3.84Å; W1218-L1221 PolarHBondContact O-N 3.38Å; W1218-C1222 PolarHBondContact O-N 2.7Å; W1218-C1222 PolarHBondContact O-SG 3.22Å |
| 1219 | M | 68.8 | Low | 70.4 | Confident | 17 Ų | 17 | 62.5 Ų | 62.5 | 8% | 0.084 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -55.6 | -48.5 | 175.2 | -62.2 | -170.8 | 68.3 | 0 | 0 | 111.7 | F1215 Y1216 C1222 D1223 E1333 | F1215-M1219 WeakPolarHBondContact O-CG 3.31Å; F1215-M1219 PolarHBondContact O-N 3.02Å; Y1216-M1219 PolarHBondContact O-N 3.45Å; M1219-C1222 PolarHBondContact O-N 3.39Å; M1219-D1223 PolarHBondContact O-N 2.68Å; M1219-E1333 HydrophobicContact CG-CG 4.16Å |
| 1220 | F | 78.1 | Confident | 70.9 | Confident | 51 Ų | 51 | 60.4 Ų | 60.4 | 22% | 0.224 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 179.5 | 177.7 | -97.7 | 0 | 0 | 0 | 112.4 | Y1216 W1218 C1222 D1223 F1224 M1270 L1362 | Y1216-F1220 HydrophobicContact CE1-CB 4.21Å; Y1216-F1220 WeakPolarHBondContact O-CB 3.22Å; Y1216-F1220 PolarHBondContact O-N 3.19Å; W1218-F1220 VanDerWaalsContact C-N 3.34Å; W1218-F1220 PolarHBondContact O-N 3.47Å; F1220-C1222 PolarHBondContact O-N 3.31Å; F1220-D1223 PolarHBondContact O-N 2.99Å; F1220-F1224 HydrophobicContact CE1-CB 4.43Å; F1220-F1224 VanDerWaalsContact O-CB 3.26Å; F1220-F1224 WeakPolarHBondContact O-CB 3.48Å; F1220-F1224 PolarHBondContact O-N 3.26Å; F1220-M1270 HydrophobicContact CE2-SD 4.44Å; F1220-L1362 HydrophobicContact CE1-CD1 4.36Å; F1220-L1362 HydrophobicContact CE1-CD2 4.46Å; F1220-L1362 HydrophobicContact CE2-CD1 4.33Å; F1220-L1362 HydrophobicContact CZ-CD1 3.56Å; F1220-L1362 HydrophobicContact CZ-CD2 4.36Å |
| 1221 | L | 73.5 | Confident | 71.5 | Confident | 74 Ų | 74 | 53.9 Ų | 53.9 | 39% | 0.387 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.8 | -42.4 | 175.8 | 179.9 | 65.6 | 0 | 0 | 0 | 111 | A1217 W1218 F1224 I1225 | A1217-L1221 WeakPolarHBondContact O-CB 3.43Å; A1217-L1221 PolarHBondContact O-N 3.46Å; W1218-L1221 HydrophobicContact CE3-CD2 3.9Å; W1218-L1221 HydrophobicContact CZ3-CD2 3.84Å; W1218-L1221 PolarHBondContact O-N 3.38Å; L1221-F1224 PolarHBondContact O-N 2.99Å; L1221-I1225 HydrophobicContact CD1-CD1 4.36Å; L1221-I1225 HydrophobicContact CG-CD1 4.09Å; L1221-I1225 VanDerWaalsContact O-CG1 3.26Å; L1221-I1225 WeakPolarHBondContact O-CG1 3.44Å; L1221-I1225 PolarHBondContact O-N 3.04Å |
| 1222 | C | 69.2 | Low | 72.1 | Confident | 24 Ų | 24 | 57.1 Ų | 57.1 | 16% | 0.162 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.9 | -42.4 | -179 | -62.3 | 0 | 0 | 0 | 0 | 111.9 | W1218 M1219 F1220 F1224 I1225 C1226 V1329 | W1218-C1222 PolarHBondContact O-N 2.7Å; W1218-C1222 PolarHBondContact O-SG 3.22Å; M1219-C1222 PolarHBondContact O-N 3.39Å; F1220-C1222 PolarHBondContact O-N 3.31Å; C1222-F1224 VanDerWaalsContact C-N 3.32Å; C1222-F1224 PolarHBondContact O-N 3.35Å; C1222-I1225 PolarHBondContact O-N 3.08Å; C1222-C1226 PolarHBondContact O-N 3.43Å; C1222-C1226 PolarHBondContact O-SG 3.31Å; C1222-V1329 HydrophobicContact CB-CB 4.3Å; C1222-V1329 HydrophobicContact CB-CG1 3.37Å; C1222-V1329 WeakPolarHBondContact SG-CG1 3.26Å |
| 1223 | D | 76.1 | Confident | 72.1 | Confident | 20 Ų | 20 | 52.9 Ų | 52.9 | 11% | 0.107 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64 | -37.1 | 173.4 | -85.1 | -23.6 | 0 | 0 | 0 | 112.6 | M1219 F1220 C1226 F1227 M1270 R1326 | M1219-D1223 PolarHBondContact O-N 2.68Å; F1220-D1223 PolarHBondContact O-N 2.99Å; D1223-C1226 PolarHBondContact O-N 3.22Å; D1223-F1227 WeakPolarHBondContact O-CB 3.47Å; D1223-F1227 PolarHBondContact O-N 2.92Å; D1223-M1270 HydrophobicContact CB-CG 3.86Å; D1223-M1270 HydrophobicContact CB-SD 4.06Å; D1223-R1326 IonicContact OD1-CZ 3.91Å; D1223-R1326 IonicContact OD1-NE 3.42Å; D1223-R1326 IonicContact OD1-NH2 2.91Å |
| 1224 | F | 76.8 | Confident | 72.2 | Confident | 53 Ų | 53 | 52.7 Ų | 52.7 | 23% | 0.232 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.6 | -42 | 175.2 | -177.8 | -107.3 | 0 | 0 | 0 | 111.9 | F1220 L1221 C1222 C1226 F1227 L1228 | F1220-F1224 HydrophobicContact CE1-CB 4.43Å; F1220-F1224 VanDerWaalsContact O-CB 3.26Å; F1220-F1224 WeakPolarHBondContact O-CB 3.48Å; F1220-F1224 PolarHBondContact O-N 3.26Å; L1221-F1224 PolarHBondContact O-N 2.99Å; C1222-F1224 VanDerWaalsContact C-N 3.32Å; C1222-F1224 PolarHBondContact O-N 3.35Å; F1224-C1226 VanDerWaalsContact C-N 3.35Å; F1224-F1227 WeakPolarHBondContact O-CB 3.37Å; F1224-F1227 PolarHBondContact O-N 2.83Å; F1224-L1228 HydrophobicContact CD1-CD1 3.97Å; F1224-L1228 HydrophobicContact CD1-CG 4.45Å; F1224-L1228 HydrophobicContact CE1-CD1 3.5Å; F1224-L1228 HydrophobicContact CE1-CG 4.11Å; F1224-L1228 HydrophobicContact CZ-CD1 3.95Å; F1224-L1228 HydrophobicContact CZ-CD2 4.28Å; F1224-L1228 HydrophobicContact CZ-CG 4.17Å; F1224-L1228 WeakPolarHBondContact O-CG 3.43Å; F1224-L1228 PolarHBondContact O-N 2.82Å |
| 1225 | I | 75.5 | Confident | 71.9 | Confident | 77 Ų | 77 | 52 Ų | 52 | 40% | 0.395 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.4 | -44.5 | 172.4 | -70 | 165.8 | 0 | 0 | 0 | 110.3 | L1221 C1222 F1227 L1228 I1229 | L1221-I1225 HydrophobicContact CD1-CD1 4.36Å; L1221-I1225 HydrophobicContact CG-CD1 4.09Å; L1221-I1225 VanDerWaalsContact O-CG1 3.26Å; L1221-I1225 WeakPolarHBondContact O-CG1 3.44Å; L1221-I1225 PolarHBondContact O-N 3.04Å; C1222-I1225 PolarHBondContact O-N 3.08Å; I1225-F1227 VanDerWaalsContact C-N 3.3Å; I1225-F1227 PolarHBondContact O-N 3.49Å; I1225-L1228 PolarHBondContact O-N 3.16Å; I1225-I1229 HydrophobicContact CG2-CD1 3.74Å; I1225-I1229 HydrophobicContact CG2-CG1 4.35Å; I1225-I1229 VanDerWaalsContact O-CG1 3.32Å; I1225-I1229 WeakPolarHBondContact O-CG1 3.24Å; I1225-I1229 PolarHBondContact O-N 3.2Å |
| 1226 | C | 68 | Low | 71.2 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.9 | -37.8 | 176.5 | -66.7 | 0 | 0 | 0 | 0 | 112.3 | C1222 D1223 F1224 S1230 R1326 | C1222-C1226 PolarHBondContact O-N 3.43Å; C1222-C1226 PolarHBondContact O-SG 3.31Å; D1223-C1226 PolarHBondContact O-N 3.22Å; F1224-C1226 VanDerWaalsContact C-N 3.35Å; C1226-S1230 WeakPolarHBondContact O-CB 3.34Å; C1226-S1230 PolarHBondContact O-N 3.32Å; C1226-S1230 VanDerWaalsContact O-N 3.08Å; C1226-S1230 PolarHBondContact O-OG 3.25Å; C1226-R1326 HydrophobicContact CB-CG 3.9Å; C1226-R1326 VanDerWaalsContact SG-CG 3.51Å |
| 1227 | F | 77.9 | Confident | 70.2 | Confident | 61 Ų | 61 | 53.1 Ų | 53.1 | 27% | 0.268 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 173.8 | 176.7 | -94.1 | 0 | 0 | 0 | 111.7 | D1223 F1224 I1225 S1230 A1231 L1263 L1266 M1270 | D1223-F1227 WeakPolarHBondContact O-CB 3.47Å; D1223-F1227 PolarHBondContact O-N 2.92Å; F1224-F1227 WeakPolarHBondContact O-CB 3.37Å; F1224-F1227 PolarHBondContact O-N 2.83Å; I1225-F1227 VanDerWaalsContact C-N 3.3Å; I1225-F1227 PolarHBondContact O-N 3.49Å; F1227-S1230 PolarHBondContact O-N 3.33Å; F1227-A1231 WeakPolarHBondContact O-CB 2.92Å; F1227-A1231 PolarHBondContact O-N 2.83Å; F1227-L1263 HydrophobicContact CD2-CD2 4.16Å; F1227-L1263 HydrophobicContact CE2-CD2 4Å; F1227-L1266 HydrophobicContact CD2-CB 4.28Å; F1227-M1270 HydrophobicContact CB-CE 4.23Å; F1227-M1270 HydrophobicContact CD2-CE 3.97Å; F1227-M1270 HydrophobicContact CG-CE 4.14Å |
| 1228 | L | 76.9 | Confident | 69.3 | Low | 63 Ų | 63 | 51.3 Ų | 51.3 | 33% | 0.33 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 177.1 | -73.2 | 178.2 | 0 | 0 | 0 | 112.5 | F1224 I1225 S1230 A1231 F1232 | F1224-L1228 HydrophobicContact CD1-CD1 3.97Å; F1224-L1228 HydrophobicContact CD1-CG 4.45Å; F1224-L1228 HydrophobicContact CE1-CD1 3.5Å; F1224-L1228 HydrophobicContact CE1-CG 4.11Å; F1224-L1228 HydrophobicContact CZ-CD1 3.95Å; F1224-L1228 HydrophobicContact CZ-CD2 4.28Å; F1224-L1228 HydrophobicContact CZ-CG 4.17Å; F1224-L1228 WeakPolarHBondContact O-CG 3.43Å; F1224-L1228 PolarHBondContact O-N 2.82Å; I1225-L1228 PolarHBondContact O-N 3.16Å; L1228-S1230 VanDerWaalsContact C-N 3.29Å; L1228-S1230 PolarHBondContact O-N 3.34Å; L1228-A1231 PolarHBondContact O-N 2.88Å; L1228-F1232 HydrophobicContact CB-CE2 4.47Å; L1228-F1232 HydrophobicContact CD2-CE2 4.47Å; L1228-F1232 WeakPolarHBondContact O-CD2 3.32Å; L1228-F1232 PolarHBondContact O-N 2.86Å |
| 1229 | I | 69.8 | Low | 68.4 | Low | 57 Ų | 57 | 52.2 Ų | 52.2 | 29% | 0.292 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 177.4 | -68.9 | 169.4 | 0 | 0 | 0 | 110.3 | I1225 F1232 S1233 | I1225-I1229 HydrophobicContact CG2-CD1 3.74Å; I1225-I1229 HydrophobicContact CG2-CG1 4.35Å; I1225-I1229 VanDerWaalsContact O-CG1 3.32Å; I1225-I1229 WeakPolarHBondContact O-CG1 3.24Å; I1225-I1229 PolarHBondContact O-N 3.2Å; I1229-F1232 PolarHBondContact O-N 3.15Å; I1229-S1233 WeakPolarHBondContact O-CB 3.22Å; I1229-S1233 PolarHBondContact O-N 2.93Å |
| 1230 | S | 70.5 | Confident | 67.6 | Low | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65 | -41.6 | 178.2 | -59 | 0 | 0 | 0 | 0 | 112 | C1226 F1227 L1228 S1233 Y1259 L1266 | C1226-S1230 WeakPolarHBondContact O-CB 3.34Å; C1226-S1230 PolarHBondContact O-N 3.32Å; C1226-S1230 VanDerWaalsContact O-N 3.08Å; C1226-S1230 PolarHBondContact O-OG 3.25Å; F1227-S1230 PolarHBondContact O-N 3.33Å; L1228-S1230 VanDerWaalsContact C-N 3.29Å; L1228-S1230 PolarHBondContact O-N 3.34Å; S1230-S1233 PolarHBondContact O-N 2.94Å; S1230-Y1259 VanDerWaalsContact O-CE2 3.32Å; S1230-Y1259 WeakPolarHBondContact O-CE2 3.3Å; S1230-L1266 WeakPolarHBondContact OG-CD1 2.76Å |
| 1231 | A | 74.3 | Confident | 66.2 | Low | 31 Ų | 31 | 59.9 Ų | 59.9 | 26% | 0.256 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.4 | -38.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | F1227 L1228 S1233 Y1259 L1263 | F1227-A1231 WeakPolarHBondContact O-CB 2.92Å; F1227-A1231 PolarHBondContact O-N 2.83Å; L1228-A1231 PolarHBondContact O-N 2.88Å; A1231-S1233 VanDerWaalsContact C-N 3.3Å; A1231-S1233 PolarHBondContact O-N 3.23Å; A1231-Y1259 PolarHBondContact O-OH 3.48Å; A1231-Y1259 VanDerWaalsContact O-OH 3.12Å; A1231-L1263 HydrophobicContact CB-CD2 4.25Å |
| 1232 | F | 73.4 | Confident | 65 | Low | 171 Ų | 171 | 60.5 Ų | 60.5 | 75% | 0.75 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -76.4 | -14.1 | 176.7 | -69.7 | -55 | 0 | 0 | 0 | 113.9 | L1228 I1229 Y1234 | L1228-F1232 HydrophobicContact CB-CE2 4.47Å; L1228-F1232 HydrophobicContact CD2-CE2 4.47Å; L1228-F1232 WeakPolarHBondContact O-CD2 3.32Å; L1228-F1232 PolarHBondContact O-N 2.86Å; I1229-F1232 PolarHBondContact O-N 3.15Å; F1232-Y1234 VanDerWaalsContact C-N 3.29Å; F1232-Y1234 PolarHBondContact O-N 3.25Å |
| 1233 | S | 64.5 | Low | 63.9 | Low | 16 Ų | 16 | 70 Ų | 70 | 11% | 0.112 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -84.9 | 12.5 | -175.5 | -162.1 | 0 | 0 | 0 | 0 | 114.6 | I1229 S1230 A1231 S1235 S1236 F1237 | I1229-S1233 WeakPolarHBondContact O-CB 3.22Å; I1229-S1233 PolarHBondContact O-N 2.93Å; S1230-S1233 PolarHBondContact O-N 2.94Å; A1231-S1233 VanDerWaalsContact C-N 3.3Å; A1231-S1233 PolarHBondContact O-N 3.23Å; S1233-S1235 PolarHBondContact O-N 3.44Å; S1233-S1235 VanDerWaalsContact O-N 3.15Å; S1233-S1236 WeakPolarHBondContact O-CB 3.46Å; S1233-S1236 PolarHBondContact O-N 3.36Å; S1233-S1236 PolarHBondContact OG-OG 3.08Å; S1233-F1237 VanDerWaalsContact O-CD2 3.22Å; S1233-F1237 WeakPolarHBondContact O-CD2 3.38Å |
| 1234 | Y | 66.7 | Low | 62.7 | Low | 49 Ų | 49 | 71.6 Ų | 71.6 | 19% | 0.192 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -51.1 | -40.2 | -179.7 | 171.9 | -99 | 0 | 0 | 0 | 113.5 | F1232 S1236 F1237 V1246 D1249 V1255 P1256 Y1259 | F1232-Y1234 VanDerWaalsContact C-N 3.29Å; F1232-Y1234 PolarHBondContact O-N 3.25Å; Y1234-S1236 PolarHBondContact O-N 2.86Å; Y1234-S1236 VanDerWaalsContact O-N 3.08Å; Y1234-F1237 PolarHBondContact O-N 3.49Å; Y1234-F1237 VanDerWaalsContact O-N 3.15Å; Y1234-V1246 HydrophobicContact CE1-CG1 4.49Å; Y1234-D1249 WeakPolarHBondContact OH-CB 3.28Å; Y1234-V1255 HydrophobicContact CE2-CG1 4.21Å; Y1234-P1256 HydrophobicContact CE2-CG 4.32Å; Y1234-Y1259 HydrophobicContact CD2-CD1 4.06Å; Y1234-Y1259 HydrophobicContact CD2-CE1 4.01Å; Y1234-Y1259 HydrophobicContact CD2-CG 4.41Å |
| 1235 | S | 61.2 | Low | 61.6 | Low | 82 Ų | 82 | 73.1 Ų | 73.1 | 57% | 0.573 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -61 | -19.9 | -179.8 | 62.9 | 0 | 0 | 0 | 0 | 114.3 | S1233 | S1233-S1235 PolarHBondContact O-N 3.44Å; S1233-S1235 VanDerWaalsContact O-N 3.15Å |
| 1236 | S | 55.3 | Low | 60.7 | Low | 45 Ų | 45 | 72.6 Ų | 72.6 | 32% | 0.315 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -87.8 | -15 | -177.7 | -48.3 | 0 | 0 | 0 | 0 | 113.2 | S1233 Y1234 R1320 | S1233-S1236 WeakPolarHBondContact O-CB 3.46Å; S1233-S1236 PolarHBondContact O-N 3.36Å; S1233-S1236 PolarHBondContact OG-OG 3.08Å; Y1234-S1236 PolarHBondContact O-N 2.86Å; Y1234-S1236 VanDerWaalsContact O-N 3.08Å; S1236-R1320 WeakPolarHBondContact OG-CD 3.06Å |
| 1237 | F | 56 | Low | 60 | Low | 50 Ų | 50 | 78.1 Ų | 78.1 | 22% | 0.219 | 45% | 0.448 | C | S | . | . | trans | -98.9 | -0.9 | -174.9 | -67.7 | -79.1 | 0 | 0 | 0 | 114.3 | S1233 Y1234 V1239 P1256 Y1259 I1262 | S1233-F1237 VanDerWaalsContact O-CD2 3.22Å; S1233-F1237 WeakPolarHBondContact O-CD2 3.38Å; Y1234-F1237 PolarHBondContact O-N 3.49Å; Y1234-F1237 VanDerWaalsContact O-N 3.15Å; F1237-V1239 WeakPolarHBondContact O-CG2 3.37Å; F1237-V1239 PolarHBondContact O-N 3.36Å; F1237-P1256 HydrophobicContact CB-CB 4Å; F1237-P1256 HydrophobicContact CB-CG 4.11Å; F1237-P1256 WeakPolarHBondContact O-CG 3.12Å; F1237-Y1259 AromaticContact CD2-CD2 3.83Å; F1237-Y1259 HydrophobicContact CD2-CD2 3.83Å; F1237-Y1259 HydrophobicContact CD2-CG 4.38Å; F1237-Y1259 HydrophobicContact CE2-CD2 4.02Å; F1237-I1262 HydrophobicContact CE1-CD1 4.13Å; F1237-I1262 HydrophobicContact CZ-CD1 4.16Å | ||
| 1238 | G | 52.8 | Low | 58.9 | Low | 33 Ų | 33 | 76.9 Ų | 76.9 | 34% | 0.34 | 45% | 0.449 | S | S | . | . | trans | -65.3 | 122.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1239 | V | 51.5 | Low | 57.9 | Low | 114 Ų | 114 | 75.8 Ų | 75.8 | 69% | 0.691 | 44% | 0.443 | S | S | * | . | trans | -86.5 | -19.4 | -163.2 | -165.7 | 0 | 0 | 0 | 0 | 113.3 | F1237 | F1237-V1239 WeakPolarHBondContact O-CG2 3.37Å; F1237-V1239 PolarHBondContact O-N 3.36Å | ||
| 1240 | D | 52 | Low | 57.2 | Low | 134 Ų | 134 | 78 Ų | 78 | 72% | 0.717 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -121.8 | -7.1 | -159.4 | -67.4 | -29.7 | 0 | 0 | 0 | 117.6 | ||
| 1241 | T | 48.2 | Very low | 56.4 | Low | 95 Ų | 95 | 85.1 Ų | 85.1 | 58% | 0.583 | 49% | 0.488 | S | S | * | . | trans | -145.6 | -7.4 | 179.6 | 57.1 | 0 | 0 | 0 | 0 | 118 | R1243 | T1241-R1243 PolarHBondContact O-N 3.38Š| ||
| 1242 | G | 48.6 | Very low | 55.8 | Low | 87 Ų | 87 | 86.2 Ų | 86.2 | 90% | 0.897 | 49% | 0.493 | S | S | * | . | S | Bend | trans | 55.2 | 8.3 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1243 | R | 46 | Very low | 55.2 | Low | 223 Ų | 223 | 85.1 Ų | 85.1 | 84% | 0.842 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -104.1 | -0.2 | -168.7 | -118 | 179.8 | 171.7 | 118.6 | -1.3 | 113.3 | T1241 D1245 | T1241-R1243 PolarHBondContact O-N 3.38Å; R1243-D1245 PolarHBondContact O-N 2.85Å |
| 1244 | G | 50.9 | Low | 54.9 | Low | 54 Ų | 54 | 91.3 Ų | 91.3 | 56% | 0.557 | 52% | 0.521 | S | S | * | . | trans | 62 | 25.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | V1246 | G1244-V1246 VanDerWaalsContact C-N 3.31Å; G1244-V1246 PolarHBondContact O-N 3.46Å | ||
| 1245 | D | 54.3 | Low | 54.9 | Low | 84 Ų | 84 | 92.8 Ų | 92.8 | 45% | 0.449 | 53% | 0.534 | S | S | . | . | trans | -82.1 | 79.7 | -178.4 | -163.3 | 0.4 | 0 | 0 | 0 | 110.6 | R1243 M1247 A1248 D1249 | R1243-D1245 PolarHBondContact O-N 2.85Å; D1245-M1247 PolarHBondContact O-N 3.16Å; D1245-M1247 PolarHBondContact OD1-N 3.43Å; D1245-A1248 HydrophobicContact CB-CB 4.24Å; D1245-A1248 WeakPolarHBondContact O-CB 3.37Å; D1245-A1248 PolarHBondContact O-N 2.97Å; D1245-D1249 PolarHBondContact O-N 3.46Å | ||
| 1246 | V | 55.8 | Low | 55.1 | Low | 66 Ų | 66 | 89.5 Ų | 89.5 | 40% | 0.4 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -53.7 | -26.4 | 177.9 | -178.4 | 0 | 0 | 0 | 0 | 111.4 | Y1234 G1244 D1249 I1250 | Y1234-V1246 HydrophobicContact CE1-CG1 4.49Å; G1244-V1246 VanDerWaalsContact C-N 3.31Å; G1244-V1246 PolarHBondContact O-N 3.46Å; V1246-D1249 PolarHBondContact O-N 2.94Å; V1246-I1250 HydrophobicContact CG1-CD1 3.8Å; V1246-I1250 HydrophobicContact CG1-CG1 4.26Å; V1246-I1250 WeakPolarHBondContact O-CB 3.35Å; V1246-I1250 WeakPolarHBondContact O-CG1 3.45Å; V1246-I1250 PolarHBondContact O-N 3.17Å |
| 1247 | M | 54.5 | Low | 55.8 | Low | 122 Ų | 122 | 93.8 Ų | 93.8 | 60% | 0.601 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -71.7 | -35.5 | 177.5 | -75.1 | -61.2 | 175.7 | 0 | 0 | 113.1 | D1245 D1249 I1250 Q1251 | D1245-M1247 PolarHBondContact O-N 3.16Å; D1245-M1247 PolarHBondContact OD1-N 3.43Å; M1247-D1249 VanDerWaalsContact C-N 3.33Å; M1247-I1250 HydrophobicContact SD-CD1 4.32Å; M1247-Q1251 VanDerWaalsContact O-CB 3.29Å; M1247-Q1251 WeakPolarHBondContact O-CB 3.47Å; M1247-Q1251 WeakPolarHBondContact O-CG 3.46Å; M1247-Q1251 PolarHBondContact O-N 2.94Å |
| 1248 | A | 53.1 | Low | 56.3 | Low | 35 Ų | 35 | 92.6 Ų | 92.6 | 29% | 0.289 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.4 | -36.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D1245 Q1251 S1252 | D1245-A1248 HydrophobicContact CB-CB 4.24Å; D1245-A1248 WeakPolarHBondContact O-CB 3.37Å; D1245-A1248 PolarHBondContact O-N 2.97Å; A1248-Q1251 PolarHBondContact O-N 2.99Å; A1248-S1252 WeakPolarHBondContact O-CB 3.41Å; A1248-S1252 PolarHBondContact O-N 3.25Å; A1248-S1252 PolarHBondContact O-OG 3.48Å |
| 1249 | D | 56.3 | Low | 57.3 | Low | 40 Ų | 40 | 92.9 Ų | 92.9 | 21% | 0.214 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -74.2 | -36.9 | 177.8 | -69 | -16.7 | 0 | 0 | 0 | 112.2 | Y1234 D1245 V1246 M1247 S1252 N1253 | Y1234-D1249 WeakPolarHBondContact OH-CB 3.28Å; D1245-D1249 PolarHBondContact O-N 3.46Å; V1246-D1249 PolarHBondContact O-N 2.94Å; M1247-D1249 VanDerWaalsContact C-N 3.33Å; D1249-S1252 PolarHBondContact O-N 3.18Å; D1249-S1252 PolarHBondContact O-OG 2.96Å; D1249-S1252 VanDerWaalsContact O-OG 3.13Å; D1249-N1253 PolarHBondContact O-N 3.28Å; D1249-N1253 VanDerWaalsContact O-N 3.16Å |
| 1250 | I | 56.1 | Low | 58.6 | Low | 103 Ų | 103 | 90 Ų | 90 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -42 | 170.2 | -70.6 | 168 | 0 | 0 | 0 | 110.7 | V1246 M1247 S1252 N1253 | V1246-I1250 HydrophobicContact CG1-CD1 3.8Å; V1246-I1250 HydrophobicContact CG1-CG1 4.26Å; V1246-I1250 WeakPolarHBondContact O-CB 3.35Å; V1246-I1250 WeakPolarHBondContact O-CG1 3.45Å; V1246-I1250 PolarHBondContact O-N 3.17Å; M1247-I1250 HydrophobicContact SD-CD1 4.32Å; I1250-S1252 VanDerWaalsContact C-N 3.32Å; I1250-S1252 PolarHBondContact O-N 2.99Å; I1250-N1253 PolarHBondContact O-N 3.39Å |
| 1251 | Q | 52.4 | Low | 59.8 | Low | 153 Ų | 153 | 87.2 Ų | 87.2 | 72% | 0.715 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.5 | -36.2 | 177.8 | -78.9 | 173.3 | 1 | 0 | 0 | 112.4 | M1247 A1248 N1253 | M1247-Q1251 VanDerWaalsContact O-CB 3.29Å; M1247-Q1251 WeakPolarHBondContact O-CB 3.47Å; M1247-Q1251 WeakPolarHBondContact O-CG 3.46Å; M1247-Q1251 PolarHBondContact O-N 2.94Å; A1248-Q1251 PolarHBondContact O-N 2.99Å; Q1251-N1253 VanDerWaalsContact C-N 3.31Å |
| 1252 | S | 62.6 | Low | 60.9 | Low | 54 Ų | 54 | 84.4 Ų | 84.4 | 38% | 0.378 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -81.4 | -9.9 | 178.8 | 71.1 | 0 | 0 | 0 | 0 | 113.7 | A1248 D1249 I1250 K1254 | A1248-S1252 WeakPolarHBondContact O-CB 3.41Å; A1248-S1252 PolarHBondContact O-N 3.25Å; A1248-S1252 PolarHBondContact O-OG 3.48Å; D1249-S1252 PolarHBondContact O-N 3.18Å; D1249-S1252 PolarHBondContact O-OG 2.96Å; D1249-S1252 VanDerWaalsContact O-OG 3.13Å; I1250-S1252 VanDerWaalsContact C-N 3.32Å; I1250-S1252 PolarHBondContact O-N 2.99Å; S1252-K1254 PolarHBondContact O-N 3.39Å; S1252-K1254 VanDerWaalsContact O-N 3.13Å |
| 1253 | N | 59.9 | Low | 62.5 | Low | 149 Ų | 149 | 81.7 Ų | 81.7 | 80% | 0.797 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 30.6 | -175.4 | -144.9 | 11.4 | 0 | 0 | 0 | 112.7 | D1249 I1250 Q1251 | D1249-N1253 PolarHBondContact O-N 3.28Å; D1249-N1253 VanDerWaalsContact O-N 3.16Å; I1250-N1253 PolarHBondContact O-N 3.39Å; Q1251-N1253 VanDerWaalsContact C-N 3.31Å |
| 1254 | K | 59.7 | Low | 64.3 | Low | 146 Ų | 146 | 76.8 Ų | 76.8 | 64% | 0.635 | 42% | 0.422 | S | S | * | . | trans | -107.8 | 101.8 | -179.5 | -73 | 178.3 | -176.9 | 179.2 | 0 | 109.7 | S1252 | S1252-K1254 PolarHBondContact O-N 3.39Å; S1252-K1254 VanDerWaalsContact O-N 3.13Å | ||
| 1255 | V | 65.4 | Low | 65.7 | Low | 79 Ų | 79 | 77.6 Ų | 77.6 | 48% | 0.479 | 42% | 0.416 | S | S | . | . | trans | -79.6 | 131.8 | 166.1 | -173.8 | 0 | 0 | 0 | 0 | 108.1 | Y1234 L1257 Y1259 V1260 | Y1234-V1255 HydrophobicContact CE2-CG1 4.21Å; V1255-L1257 PolarHBondContact O-N 3.39Å; V1255-Y1259 HydrophobicContact CG1-CD1 3.84Å; V1255-Y1259 HydrophobicContact CG1-CE1 4.37Å; V1255-V1260 HydrophobicContact CB-CG2 4.11Å; V1255-V1260 HydrophobicContact CG1-CG2 3.39Å | ||
| 1256 | P | 66.2 | Low | 67.1 | Low | 13 Ų | 13 | 73.7 Ų | 73.7 | 8% | 0.084 | 40% | 0.395 | C | S | . | . | trans | -55.6 | 116.7 | 175.3 | -24.7 | 34.3 | 0 | 0 | 0 | 110.2 | Y1234 F1237 P1258 Y1259 V1260 | Y1234-P1256 HydrophobicContact CE2-CG 4.32Å; F1237-P1256 HydrophobicContact CB-CB 4Å; F1237-P1256 HydrophobicContact CB-CG 4.11Å; F1237-P1256 WeakPolarHBondContact O-CG 3.12Å; P1256-P1258 VanDerWaalsContact C-N 3.28Å; P1256-Y1259 WeakPolarHBondContact O-CB 3.42Å; P1256-Y1259 PolarHBondContact O-N 3.25Å; P1256-V1260 PolarHBondContact O-N 3.48Å | ||
| 1257 | L | 69.8 | Low | 68.4 | Low | 135 Ų | 135 | 75.3 Ų | 75.3 | 71% | 0.707 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -51.3 | -40.2 | -179.1 | -174 | 68.5 | 0 | 0 | 0 | 113.3 | V1255 Y1259 V1260 V1261 | V1255-L1257 PolarHBondContact O-N 3.39Å; L1257-Y1259 VanDerWaalsContact C-N 3.31Å; L1257-Y1259 PolarHBondContact O-N 3.08Å; L1257-V1260 PolarHBondContact O-N 3.18Å; L1257-V1261 HydrophobicContact CD1-CG2 4.37Å; L1257-V1261 HydrophobicContact CG-CG2 4.31Å; L1257-V1261 WeakPolarHBondContact O-CG2 3.35Å; L1257-V1261 PolarHBondContact O-N 2.93Å; L1257-V1261 VanDerWaalsContact O-N 3.08Å |
| 1258 | P | 66.8 | Low | 69.9 | Low | 25 Ų | 25 | 74.3 Ų | 74.3 | 16% | 0.162 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.2 | -37.1 | 178.6 | -23.3 | 35.5 | 0 | 0 | 0 | 113.4 | P1256 V1261 I1262 R1303 | P1256-P1258 VanDerWaalsContact C-N 3.28Å; P1258-V1261 PolarHBondContact O-N 3.44Å; P1258-I1262 WeakPolarHBondContact O-CD1 3.41Å; P1258-I1262 WeakPolarHBondContact O-CG1 3.25Å; P1258-I1262 PolarHBondContact O-N 3.3Å; P1258-R1303 VanDerWaalsContact CG-CZ 3.49Å |
| 1259 | Y | 72.2 | Confident | 71.4 | Confident | 39 Ų | 39 | 74 Ų | 74 | 15% | 0.153 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 178.7 | 166.6 | -99.4 | 0 | 0 | 0 | 111.4 | S1230 A1231 Y1234 F1237 V1255 P1256 L1257 I1262 L1263 | S1230-Y1259 VanDerWaalsContact O-CE2 3.32Å; S1230-Y1259 WeakPolarHBondContact O-CE2 3.3Å; A1231-Y1259 PolarHBondContact O-OH 3.48Å; A1231-Y1259 VanDerWaalsContact O-OH 3.12Å; Y1234-Y1259 HydrophobicContact CD2-CD1 4.06Å; Y1234-Y1259 HydrophobicContact CD2-CE1 4.01Å; Y1234-Y1259 HydrophobicContact CD2-CG 4.41Å; F1237-Y1259 AromaticContact CD2-CD2 3.83Å; F1237-Y1259 HydrophobicContact CD2-CD2 3.83Å; F1237-Y1259 HydrophobicContact CD2-CG 4.38Å; F1237-Y1259 HydrophobicContact CE2-CD2 4.02Å; V1255-Y1259 HydrophobicContact CG1-CD1 3.84Å; V1255-Y1259 HydrophobicContact CG1-CE1 4.37Å; P1256-Y1259 WeakPolarHBondContact O-CB 3.42Å; P1256-Y1259 PolarHBondContact O-N 3.25Å; L1257-Y1259 VanDerWaalsContact C-N 3.31Å; L1257-Y1259 PolarHBondContact O-N 3.08Å; Y1259-I1262 PolarHBondContact O-N 3.11Å; Y1259-L1263 HydrophobicContact CD1-CD1 4.34Å; Y1259-L1263 HydrophobicContact CD2-CD1 4.43Å; Y1259-L1263 HydrophobicContact CE1-CD1 3.69Å; Y1259-L1263 HydrophobicContact CE2-CD1 3.8Å; Y1259-L1263 HydrophobicContact CE2-CG 4.41Å; Y1259-L1263 PolarHBondContact O-N 3.46Å; Y1259-L1263 WeakPolarHBondContact OH-CD1 3.37Å |
| 1260 | V | 78.9 | Confident | 72.7 | Confident | 54 Ų | 54 | 73.3 Ų | 73.3 | 33% | 0.327 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.3 | -44.9 | 178.9 | -176.7 | 0 | 0 | 0 | 0 | 111.1 | V1255 P1256 L1257 I1262 L1263 M1264 | V1255-V1260 HydrophobicContact CB-CG2 4.11Å; V1255-V1260 HydrophobicContact CG1-CG2 3.39Å; P1256-V1260 PolarHBondContact O-N 3.48Å; L1257-V1260 PolarHBondContact O-N 3.18Å; V1260-I1262 VanDerWaalsContact C-N 3.34Å; V1260-I1262 PolarHBondContact O-N 2.8Å; V1260-L1263 PolarHBondContact O-N 2.9Å; V1260-M1264 HydrophobicContact CG1-CG 4.4Å; V1260-M1264 HydrophobicContact CG1-SD 4.17Å; V1260-M1264 WeakPolarHBondContact O-CG 3.23Å; V1260-M1264 PolarHBondContact O-N 3.13Å |
| 1261 | V | 77.6 | Confident | 74.2 | Confident | 76 Ų | 76 | 70.7 Ų | 70.7 | 46% | 0.461 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 179.8 | 172.6 | 0 | 0 | 0 | 0 | 111 | L1257 P1258 M1264 V1265 | L1257-V1261 HydrophobicContact CD1-CG2 4.37Å; L1257-V1261 HydrophobicContact CG-CG2 4.31Å; L1257-V1261 WeakPolarHBondContact O-CG2 3.35Å; L1257-V1261 PolarHBondContact O-N 2.93Å; L1257-V1261 VanDerWaalsContact O-N 3.08Å; P1258-V1261 PolarHBondContact O-N 3.44Å; V1261-M1264 PolarHBondContact O-N 3.29Å; V1261-V1265 HydrophobicContact CG1-CG2 4.4Å; V1261-V1265 WeakPolarHBondContact O-CB 3.46Å; V1261-V1265 VanDerWaalsContact O-CG2 3.28Å; V1261-V1265 WeakPolarHBondContact O-CG2 3.12Å; V1261-V1265 PolarHBondContact O-N 3.42Å |
| 1262 | I | 72.8 | Confident | 75.9 | Confident | 35 Ų | 35 | 66.6 Ų | 66.6 | 18% | 0.179 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.4 | -54 | 177.4 | -70.4 | 164.9 | 0 | 0 | 0 | 110 | F1237 P1258 Y1259 V1260 M1264 V1265 L1266 P1322 | F1237-I1262 HydrophobicContact CE1-CD1 4.13Å; F1237-I1262 HydrophobicContact CZ-CD1 4.16Å; P1258-I1262 WeakPolarHBondContact O-CD1 3.41Å; P1258-I1262 WeakPolarHBondContact O-CG1 3.25Å; P1258-I1262 PolarHBondContact O-N 3.3Å; Y1259-I1262 PolarHBondContact O-N 3.11Å; V1260-I1262 VanDerWaalsContact C-N 3.34Å; V1260-I1262 PolarHBondContact O-N 2.8Å; I1262-M1264 VanDerWaalsContact C-N 3.34Å; I1262-M1264 PolarHBondContact O-N 2.74Å; I1262-V1265 PolarHBondContact O-N 3.21Å; I1262-V1265 VanDerWaalsContact O-N 3.13Å; I1262-L1266 HydrophobicContact CG2-CD1 4.3Å; I1262-L1266 HydrophobicContact CG2-CD2 4.04Å; I1262-L1266 HydrophobicContact CG2-CG 4.09Å; I1262-L1266 WeakPolarHBondContact O-CG 3.36Å; I1262-L1266 PolarHBondContact O-N 3.31Å; I1262-P1322 HydrophobicContact CD1-CG 4.49Å; I1262-P1322 HydrophobicContact CG2-CG 4.49Å |
| 1263 | L | 80.6 | Confident | 77 | Confident | 31 Ų | 31 | 64.2 Ų | 64.2 | 16% | 0.162 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.8 | -41.7 | -178.5 | -74 | 177.1 | 0 | 0 | 0 | 113.3 | F1227 A1231 Y1259 V1260 L1266 M1267 | F1227-L1263 HydrophobicContact CD2-CD2 4.16Å; F1227-L1263 HydrophobicContact CE2-CD2 4Å; A1231-L1263 HydrophobicContact CB-CD2 4.25Å; Y1259-L1263 HydrophobicContact CD1-CD1 4.34Å; Y1259-L1263 HydrophobicContact CD2-CD1 4.43Å; Y1259-L1263 HydrophobicContact CE1-CD1 3.69Å; Y1259-L1263 HydrophobicContact CE2-CD1 3.8Å; Y1259-L1263 HydrophobicContact CE2-CG 4.41Å; Y1259-L1263 PolarHBondContact O-N 3.46Å; Y1259-L1263 WeakPolarHBondContact OH-CD1 3.37Å; V1260-L1263 PolarHBondContact O-N 2.9Å; L1263-L1266 PolarHBondContact O-N 3.22Å; L1263-M1267 PolarHBondContact O-N 3.11Å |
| 1264 | M | 84.8 | Confident | 78.4 | Confident | 120 Ų | 120 | 58.4 Ų | 58.4 | 59% | 0.591 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -63.3 | -42.7 | 176.3 | -71.7 | -172.8 | 77.9 | 0 | 0 | 111.8 | V1260 V1261 I1262 M1267 L1268 | V1260-M1264 HydrophobicContact CG1-CG 4.4Å; V1260-M1264 HydrophobicContact CG1-SD 4.17Å; V1260-M1264 WeakPolarHBondContact O-CG 3.23Å; V1260-M1264 PolarHBondContact O-N 3.13Å; V1261-M1264 PolarHBondContact O-N 3.29Å; I1262-M1264 VanDerWaalsContact C-N 3.34Å; I1262-M1264 PolarHBondContact O-N 2.74Å; M1264-M1267 PolarHBondContact O-N 3.33Å; M1264-L1268 WeakPolarHBondContact O-CB 3.38Å; M1264-L1268 PolarHBondContact O-N 3.28Å |
| 1265 | V | 80.7 | Confident | 79.7 | Confident | 70 Ų | 70 | 51.9 Ų | 51.9 | 42% | 0.424 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 176.3 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | V1261 I1262 M1267 L1268 L1269 | V1261-V1265 HydrophobicContact CG1-CG2 4.4Å; V1261-V1265 WeakPolarHBondContact O-CB 3.46Å; V1261-V1265 VanDerWaalsContact O-CG2 3.28Å; V1261-V1265 WeakPolarHBondContact O-CG2 3.12Å; V1261-V1265 PolarHBondContact O-N 3.42Å; I1262-V1265 PolarHBondContact O-N 3.21Å; I1262-V1265 VanDerWaalsContact O-N 3.13Å; V1265-M1267 PolarHBondContact O-N 3.39Å; V1265-L1268 PolarHBondContact O-N 3.5Å; V1265-L1269 HydrophobicContact CG1-CD1 3.76Å; V1265-L1269 HydrophobicContact CG1-CG 4.19Å; V1265-L1269 WeakPolarHBondContact O-CB 3.02Å; V1265-L1269 WeakPolarHBondContact O-CG 3.34Å; V1265-L1269 PolarHBondContact O-N 3.35Å |
| 1266 | L | 82.4 | Confident | 80.8 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 177.5 | -57.5 | -160.3 | 0 | 0 | 0 | 111.7 | F1227 S1230 I1262 L1263 L1269 M1270 R1326 | F1227-L1266 HydrophobicContact CD2-CB 4.28Å; S1230-L1266 WeakPolarHBondContact OG-CD1 2.76Å; I1262-L1266 HydrophobicContact CG2-CD1 4.3Å; I1262-L1266 HydrophobicContact CG2-CD2 4.04Å; I1262-L1266 HydrophobicContact CG2-CG 4.09Å; I1262-L1266 WeakPolarHBondContact O-CG 3.36Å; I1262-L1266 PolarHBondContact O-N 3.31Å; L1263-L1266 PolarHBondContact O-N 3.22Å; L1266-L1269 PolarHBondContact O-N 2.83Å; L1266-M1270 WeakPolarHBondContact O-CG 3.25Å; L1266-M1270 PolarHBondContact O-N 3.33Å; L1266-M1270 VanDerWaalsContact O-N 3.15Å; L1266-R1326 VanDerWaalsContact CB-NH2 3.28Å |
| 1267 | M | 83.7 | Confident | 81.7 | Confident | 99 Ų | 99 | 52.5 Ų | 52.5 | 49% | 0.488 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 178 | -176.4 | -175.7 | 71 | 0 | 0 | 111.6 | L1263 M1264 V1265 L1269 M1270 V1271 | L1263-M1267 PolarHBondContact O-N 3.11Å; M1264-M1267 PolarHBondContact O-N 3.33Å; V1265-M1267 PolarHBondContact O-N 3.39Å; M1267-L1269 PolarHBondContact O-N 2.99Å; M1267-M1270 PolarHBondContact O-N 2.93Å; M1267-V1271 WeakPolarHBondContact O-CG2 3.28Å; M1267-V1271 PolarHBondContact O-N 3Å |
| 1268 | L | 86.1 | Confident | 82.3 | Confident | 101 Ų | 101 | 47.5 Ų | 47.5 | 53% | 0.529 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.7 | -40.2 | 179.3 | -177.1 | 133 | 0 | 0 | 0 | 112 | M1264 V1265 M1270 V1271 I1272 | M1264-L1268 WeakPolarHBondContact O-CB 3.38Å; M1264-L1268 PolarHBondContact O-N 3.28Å; V1265-L1268 PolarHBondContact O-N 3.5Å; L1268-M1270 PolarHBondContact O-N 3.4Å; L1268-V1271 PolarHBondContact O-N 3.47Å; L1268-I1272 HydrophobicContact CD2-CD1 3.46Å; L1268-I1272 VanDerWaalsContact CD2-CD1 3.46Å; L1268-I1272 HydrophobicContact CD2-CG1 4.47Å; L1268-I1272 HydrophobicContact CG-CD1 4.07Å; L1268-I1272 WeakPolarHBondContact O-CG1 3.22Å; L1268-I1272 PolarHBondContact O-N 2.69Å |
| 1269 | L | 84.3 | Confident | 83.2 | Confident | 30 Ų | 30 | 53.8 Ų | 53.8 | 16% | 0.157 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.9 | -41 | 175.3 | -71.1 | 170.9 | 0 | 0 | 0 | 112.2 | V1265 L1266 M1267 V1271 I1272 D1273 F1288 L1292 | V1265-L1269 HydrophobicContact CG1-CD1 3.76Å; V1265-L1269 HydrophobicContact CG1-CG 4.19Å; V1265-L1269 WeakPolarHBondContact O-CB 3.02Å; V1265-L1269 WeakPolarHBondContact O-CG 3.34Å; V1265-L1269 PolarHBondContact O-N 3.35Å; L1266-L1269 PolarHBondContact O-N 2.83Å; M1267-L1269 PolarHBondContact O-N 2.99Å; L1269-V1271 PolarHBondContact O-N 3.3Å; L1269-I1272 PolarHBondContact O-N 2.83Å; L1269-D1273 WeakPolarHBondContact O-CB 3.42Å; L1269-D1273 PolarHBondContact O-N 3Å; L1269-F1288 HydrophobicContact CB-CZ 4.33Å; L1269-F1288 HydrophobicContact CD2-CE2 3.56Å; L1269-F1288 HydrophobicContact CD2-CZ 3.79Å; L1269-L1292 HydrophobicContact CD1-CD1 3.76Å; L1269-L1292 HydrophobicContact CD2-CD1 4.18Å |
| 1270 | M | 83.9 | Confident | 83.6 | Confident | 25 Ų | 25 | 60.2 Ų | 60.2 | 12% | 0.123 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.1 | -41 | 176.4 | -71.8 | -174 | -67.4 | 0 | 0 | 112.4 | F1220 D1223 F1227 L1266 M1267 L1268 D1273 R1274 | F1220-M1270 HydrophobicContact CE2-SD 4.44Å; D1223-M1270 HydrophobicContact CB-CG 3.86Å; D1223-M1270 HydrophobicContact CB-SD 4.06Å; F1227-M1270 HydrophobicContact CB-CE 4.23Å; F1227-M1270 HydrophobicContact CD2-CE 3.97Å; F1227-M1270 HydrophobicContact CG-CE 4.14Å; L1266-M1270 WeakPolarHBondContact O-CG 3.25Å; L1266-M1270 PolarHBondContact O-N 3.33Å; L1266-M1270 VanDerWaalsContact O-N 3.15Å; M1267-M1270 PolarHBondContact O-N 2.93Å; L1268-M1270 PolarHBondContact O-N 3.4Å; M1270-D1273 PolarHBondContact O-N 3.18Å; M1270-R1274 PolarHBondContact O-N 3.15Å |
| 1271 | V | 88.1 | Confident | 83.8 | Confident | 48 Ų | 48 | 59.4 Ų | 59.4 | 29% | 0.291 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -66.1 | -44 | 177.7 | 174.8 | 0 | 0 | 0 | 0 | 111 | M1267 L1268 L1269 D1273 R1274 A1275 L1365 I1369 | M1267-V1271 WeakPolarHBondContact O-CG2 3.28Å; M1267-V1271 PolarHBondContact O-N 3Å; L1268-V1271 PolarHBondContact O-N 3.47Å; L1269-V1271 PolarHBondContact O-N 3.3Å; V1271-D1273 VanDerWaalsContact C-N 3.33Å; V1271-R1274 PolarHBondContact O-N 3.34Å; V1271-A1275 WeakPolarHBondContact O-CB 3.36Å; V1271-A1275 PolarHBondContact O-N 2.68Å; V1271-L1365 HydrophobicContact CG2-CD2 4.45Å; V1271-I1369 HydrophobicContact CB-CD1 4.43Å; V1271-I1369 HydrophobicContact CG1-CD1 4.02Å; V1271-I1369 HydrophobicContact CG1-CG1 4.48Å; V1271-I1369 HydrophobicContact CG2-CD1 4.1Å |
| 1272 | I | 87.5 | Confident | 83.9 | Confident | 67 Ų | 67 | 59.6 Ų | 59.6 | 34% | 0.344 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 176.5 | -68.2 | 172.4 | 0 | 0 | 0 | 110.7 | L1268 L1269 A1275 I1276 F1288 | L1268-I1272 HydrophobicContact CD2-CD1 3.46Å; L1268-I1272 VanDerWaalsContact CD2-CD1 3.46Å; L1268-I1272 HydrophobicContact CD2-CG1 4.47Å; L1268-I1272 HydrophobicContact CG-CD1 4.07Å; L1268-I1272 WeakPolarHBondContact O-CG1 3.22Å; L1268-I1272 PolarHBondContact O-N 2.69Å; L1269-I1272 PolarHBondContact O-N 2.83Å; I1272-A1275 WeakPolarHBondContact O-CB 3.27Å; I1272-A1275 PolarHBondContact O-N 2.98Å; I1272-I1276 HydrophobicContact CG2-CD1 3.79Å; I1272-I1276 HydrophobicContact CG2-CG1 4.37Å; I1272-I1276 WeakPolarHBondContact O-CG1 3.26Å; I1272-I1276 PolarHBondContact O-N 2.78Å; I1272-F1288 HydrophobicContact CB-CE2 4.15Å; I1272-F1288 HydrophobicContact CG2-CD2 3.78Å; I1272-F1288 HydrophobicContact CG2-CE2 3.63Å; I1272-F1288 HydrophobicContact CG2-CZ 4.41Å |
| 1273 | D | 86.6 | Confident | 84.5 | Confident | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.4 | -40.9 | -179.4 | -156.9 | 43.5 | 0 | 0 | 0 | 112.2 | L1269 M1270 V1271 A1275 I1276 Y1277 K1285 F1288 | L1269-D1273 WeakPolarHBondContact O-CB 3.42Å; L1269-D1273 PolarHBondContact O-N 3Å; M1270-D1273 PolarHBondContact O-N 3.18Å; V1271-D1273 VanDerWaalsContact C-N 3.33Å; D1273-A1275 VanDerWaalsContact C-N 3.34Å; D1273-A1275 PolarHBondContact O-N 3.31Å; D1273-I1276 PolarHBondContact O-N 3.44Å; D1273-Y1277 WeakPolarHBondContact O-CB 3.48Å; D1273-Y1277 PolarHBondContact O-N 2.95Å; D1273-K1285 VanDerWaalsContact CG-NZ 3.28Å; D1273-K1285 IonicContact OD1-NZ 3.35Å; D1273-K1285 PolarHBondContact OD1-NZ 3.16Å; D1273-K1285 IonicContact OD2-NZ 3.02Å; D1273-K1285 PolarHBondContact OD2-NZ 3.25Å; D1273-K1285 VanDerWaalsContact OD2-NZ 3.14Å; D1273-F1288 HydrophobicContact CB-CE1 4Å; D1273-F1288 HydrophobicContact CB-CZ 4.23Å; D1273-F1288 WeakPolarHBondContact OD1-CE1 3.25Å |
| 1274 | R | 87.3 | Confident | 84.8 | Confident | 27 Ų | 27 | 62.5 Ų | 62.5 | 10% | 0.102 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.3 | -43.1 | 171.4 | -174.9 | 68.2 | -178.3 | 174.8 | -5.8 | 111.5 | Y1216 M1270 V1271 I1276 Y1277 L1278 I1369 D1370 | Y1216-R1274 VanDerWaalsContact CZ-CD 3.43Å; Y1216-R1274 WeakPolarHBondContact OH-CB 3.39Å; Y1216-R1274 WeakPolarHBondContact OH-CD 3.42Å; M1270-R1274 PolarHBondContact O-N 3.15Å; V1271-R1274 PolarHBondContact O-N 3.34Å; R1274-I1276 PolarHBondContact O-N 3.24Å; R1274-Y1277 PolarHBondContact O-N 2.97Å; R1274-L1278 HydrophobicContact CG-CD1 4.09Å; R1274-L1278 HydrophobicContact CG-CG 4.48Å; R1274-L1278 WeakPolarHBondContact O-CG 3.49Å; R1274-L1278 PolarHBondContact O-N 3.32Å; R1274-I1369 HydrophobicContact CB-CG2 4.09Å; R1274-I1369 HydrophobicContact CG-CB 4.44Å; R1274-I1369 HydrophobicContact CG-CG2 3.48Å; R1274-I1369 VanDerWaalsContact CG-CG2 3.48Å; R1274-D1370 IonicContact CZ-OD1 2.59Å; R1274-D1370 VanDerWaalsContact CZ-OD1 3.29Å; R1274-D1370 IonicContact NE-OD1 3.51Å; R1274-D1370 PolarHBondContact NE-OD1 3.03Å; R1274-D1370 VanDerWaalsContact NH2-CG 3.31Å; R1274-D1370 IonicContact NH2-OD1 3.62Å; R1274-D1370 PolarHBondContact NH2-OD1 3.49Å; R1274-D1370 IonicContact NH2-OD2 3.04Å; R1274-D1370 PolarHBondContact NH2-OD2 3.46Å |
| 1275 | A | 88.3 | Confident | 84.7 | Confident | 10 Ų | 10 | 59.4 Ų | 59.4 | 8% | 0.083 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V1271 I1272 D1273 R1279 W1373 | V1271-A1275 WeakPolarHBondContact O-CB 3.36Å; V1271-A1275 PolarHBondContact O-N 2.68Å; I1272-A1275 WeakPolarHBondContact O-CB 3.27Å; I1272-A1275 PolarHBondContact O-N 2.98Å; D1273-A1275 VanDerWaalsContact C-N 3.34Å; D1273-A1275 PolarHBondContact O-N 3.31Å; A1275-R1279 WeakPolarHBondContact O-CG 3.12Å; A1275-R1279 PolarHBondContact O-N 3.14Å; A1275-W1373 HydrophobicContact CB-CD2 4.07Å; A1275-W1373 HydrophobicContact CB-CG 4.25Å; A1275-W1373 HydrophobicContact CB-CZ2 3.73Å |
| 1276 | I | 87.7 | Confident | 84.7 | Confident | 20 Ų | 20 | 57 Ų | 57 | 10% | 0.103 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66 | -42 | 178.1 | -68.5 | 169.5 | 0 | 0 | 0 | 111 | I1272 D1273 R1274 R1279 K1280 K1285 F1288 | I1272-I1276 HydrophobicContact CG2-CD1 3.79Å; I1272-I1276 HydrophobicContact CG2-CG1 4.37Å; I1272-I1276 WeakPolarHBondContact O-CG1 3.26Å; I1272-I1276 PolarHBondContact O-N 2.78Å; D1273-I1276 PolarHBondContact O-N 3.44Å; R1274-I1276 PolarHBondContact O-N 3.24Å; I1276-R1279 PolarHBondContact O-N 2.93Å; I1276-K1280 PolarHBondContact O-N 3.23Å; I1276-K1285 HydrophobicContact CG2-CB 3.7Å; I1276-K1285 HydrophobicContact CG2-CD 3.96Å; I1276-K1285 HydrophobicContact CG2-CG 4.42Å; I1276-F1288 HydrophobicContact CD1-CB 3.61Å; I1276-F1288 HydrophobicContact CD1-CD1 4.29Å; I1276-F1288 HydrophobicContact CD1-CD2 4.13Å; I1276-F1288 HydrophobicContact CD1-CG 3.78Å |
| 1277 | Y | 84.8 | Confident | 84.9 | Confident | 84 Ų | 84 | 60 Ų | 60 | 33% | 0.329 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.9 | -49.8 | 177.1 | 169.2 | -98.1 | 0 | 0 | 0 | 111.8 | D1214 Y1216 D1273 R1274 R1279 K1280 | D1214-Y1277 WeakPolarHBondContact OD1-CE2 3.16Å; D1214-Y1277 PolarHBondContact OD2-OH 3.44Å; Y1216-Y1277 VanDerWaalsContact CB-CE2 3.4Å; Y1216-Y1277 HydrophobicContact CD1-CD1 4.25Å; Y1216-Y1277 HydrophobicContact CD1-CE1 4.18Å; Y1216-Y1277 HydrophobicContact CD1-CG 4.48Å; Y1216-Y1277 HydrophobicContact CD2-CD1 4.13Å; Y1216-Y1277 AromaticContact CD2-CD2 3.76Å; Y1216-Y1277 HydrophobicContact CD2-CD2 3.76Å; Y1216-Y1277 HydrophobicContact CD2-CE2 4.36Å; Y1216-Y1277 AromaticContact CD2-CG 3.61Å; Y1216-Y1277 HydrophobicContact CD2-CG 3.61Å; Y1216-Y1277 HydrophobicContact CE2-CD1 4.45Å; Y1216-Y1277 HydrophobicContact CE2-CG 4.15Å; Y1216-Y1277 HydrophobicContact CG-CD1 4.04Å; Y1216-Y1277 AromaticContact CG-CD2 3.74Å; Y1216-Y1277 HydrophobicContact CG-CD2 3.74Å; Y1216-Y1277 HydrophobicContact CG-CE1 4.17Å; Y1216-Y1277 AromaticContact CG-CE2 3.86Å; Y1216-Y1277 HydrophobicContact CG-CE2 3.86Å; Y1216-Y1277 AromaticContact CG-CG 3.82Å; Y1216-Y1277 HydrophobicContact CG-CG 3.82Å; D1273-Y1277 WeakPolarHBondContact O-CB 3.48Å; D1273-Y1277 PolarHBondContact O-N 2.95Å; R1274-Y1277 PolarHBondContact O-N 2.97Å; Y1277-R1279 VanDerWaalsContact C-N 3.31Å; Y1277-R1279 PolarHBondContact O-N 2.94Å; Y1277-K1280 PolarHBondContact O-N 3Å |
| 1278 | L | 84 | Confident | 85 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 16% | 0.162 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.3 | -35.4 | -179.6 | -68.7 | 170.7 | 0 | 0 | 0 | 113 | R1274 K1280 I1369 D1370 W1373 V1374 | R1274-L1278 HydrophobicContact CG-CD1 4.09Å; R1274-L1278 HydrophobicContact CG-CG 4.48Å; R1274-L1278 WeakPolarHBondContact O-CG 3.49Å; R1274-L1278 PolarHBondContact O-N 3.32Å; L1278-K1280 PolarHBondContact O-N 2.88Å; L1278-I1369 HydrophobicContact CD1-CG2 3.98Å; L1278-D1370 WeakPolarHBondContact CD1-OD1 3.38Å; L1278-W1373 HydrophobicContact CB-CB 3.92Å; L1278-W1373 HydrophobicContact CD1-CB 3.9Å; L1278-W1373 HydrophobicContact CD1-CG 4.42Å; L1278-V1374 HydrophobicContact CD2-CG2 4Å |
| 1279 | R | 84.8 | Confident | 84.7 | Confident | 157 Ų | 157 | 53 Ų | 53 | 59% | 0.592 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -10.2 | 175.1 | -75.7 | -174.6 | 172.6 | -138.2 | -10.1 | 114.1 | A1275 I1276 Y1277 S1281 W1373 | A1275-R1279 WeakPolarHBondContact O-CG 3.12Å; A1275-R1279 PolarHBondContact O-N 3.14Å; I1276-R1279 PolarHBondContact O-N 2.93Å; Y1277-R1279 VanDerWaalsContact C-N 3.31Å; Y1277-R1279 PolarHBondContact O-N 2.94Å; R1279-S1281 PolarHBondContact O-N 3.34Å; R1279-S1281 VanDerWaalsContact O-N 3.12Å; R1279-W1373 VanDerWaalsContact NE-CE3 3.26Å |
| 1280 | K | 80 | Confident | 84.6 | Confident | 173 Ų | 173 | 54.4 Ų | 54.4 | 75% | 0.752 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 32.7 | -175.9 | -56.6 | -177.3 | 179.7 | -177.7 | 0 | 112.9 | I1276 Y1277 L1278 | I1276-K1280 PolarHBondContact O-N 3.23Å; Y1277-K1280 PolarHBondContact O-N 3Å; L1278-K1280 PolarHBondContact O-N 2.88Å |
| 1281 | S | 83.5 | Confident | 84.6 | Confident | 38 Ų | 38 | 60.7 Ų | 60.7 | 27% | 0.266 | 30% | 0.299 | S | S | . | . | trans | -95.5 | 104.6 | -175.1 | -177.2 | 0 | 0 | 0 | 0 | 112.6 | R1279 V1283 S1284 K1285 | R1279-S1281 PolarHBondContact O-N 3.34Å; R1279-S1281 VanDerWaalsContact O-N 3.12Å; S1281-V1283 PolarHBondContact O-N 3.49Å; S1281-S1284 PolarHBondContact O-N 3.11Å; S1281-S1284 PolarHBondContact OG-N 3.22Å; S1281-S1284 PolarHBondContact OG-OG 2.9Å; S1281-K1285 PolarHBondContact O-N 3.43Å | ||
| 1282 | V | 79.8 | Confident | 84 | Confident | 80 Ų | 80 | 59.1 Ų | 59.1 | 49% | 0.485 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | 179.1 | -176 | 0 | 0 | 0 | 0 | 112.1 | L1205 S1284 K1285 L1286 | L1205-V1282 HydrophobicContact CD2-CG1 4.29Å; V1282-S1284 PolarHBondContact O-N 3Å; V1282-K1285 PolarHBondContact O-N 3.21Å; V1282-L1286 PolarHBondContact O-N 3.3Å |
| 1283 | V | 86.5 | Confident | 83.3 | Confident | 78 Ų | 78 | 55.9 Ų | 55.9 | 47% | 0.473 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.8 | -46.4 | 179.3 | 179.7 | 0 | 0 | 0 | 0 | 110.8 | L1205 S1281 K1285 L1286 C1287 | L1205-V1283 HydrophobicContact CD1-CG2 4.43Å; L1205-V1283 HydrophobicContact CD2-CB 4.43Å; L1205-V1283 HydrophobicContact CD2-CG2 3.57Å; S1281-V1283 PolarHBondContact O-N 3.49Å; V1283-K1285 VanDerWaalsContact C-N 3.32Å; V1283-K1285 PolarHBondContact O-N 3.09Å; V1283-L1286 PolarHBondContact O-N 2.85Å; V1283-C1287 PolarHBondContact O-N 3.12Å; V1283-C1287 PolarHBondContact O-SG 2.62Å |
| 1284 | S | 85.4 | Confident | 82.9 | Confident | 48 Ų | 48 | 60 Ų | 60 | 34% | 0.336 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.2 | -40 | -179.5 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | S1281 V1282 C1287 F1288 | S1281-S1284 PolarHBondContact O-N 3.11Å; S1281-S1284 PolarHBondContact OG-N 3.22Å; S1281-S1284 PolarHBondContact OG-OG 2.9Å; V1282-S1284 PolarHBondContact O-N 3Å; S1284-C1287 PolarHBondContact O-N 3.06Å; S1284-F1288 VanDerWaalsContact O-CB 3.31Å; S1284-F1288 WeakPolarHBondContact O-CB 3.46Å; S1284-F1288 PolarHBondContact O-N 2.99Å |
| 1285 | K | 82.3 | Confident | 82 | Confident | 55 Ų | 55 | 59.9 Ų | 59.9 | 24% | 0.239 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 175.5 | -170.6 | 70.4 | 174.1 | -165 | 0 | 112 | D1273 I1276 S1281 V1282 V1283 F1288 Q1289 | D1273-K1285 VanDerWaalsContact CG-NZ 3.28Å; D1273-K1285 IonicContact OD1-NZ 3.35Å; D1273-K1285 PolarHBondContact OD1-NZ 3.16Å; D1273-K1285 IonicContact OD2-NZ 3.02Å; D1273-K1285 PolarHBondContact OD2-NZ 3.25Å; D1273-K1285 VanDerWaalsContact OD2-NZ 3.14Å; I1276-K1285 HydrophobicContact CG2-CB 3.7Å; I1276-K1285 HydrophobicContact CG2-CD 3.96Å; I1276-K1285 HydrophobicContact CG2-CG 4.42Å; S1281-K1285 PolarHBondContact O-N 3.43Å; V1282-K1285 PolarHBondContact O-N 3.21Å; V1283-K1285 VanDerWaalsContact C-N 3.32Å; V1283-K1285 PolarHBondContact O-N 3.09Å; K1285-F1288 PolarHBondContact O-N 3.44Å; K1285-Q1289 WeakPolarHBondContact O-CB 3.39Å; K1285-Q1289 PolarHBondContact O-N 3.41Å |
| 1286 | L | 82.3 | Confident | 80.9 | Confident | 21 Ų | 21 | 60 Ų | 60 | 11% | 0.11 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62 | -51.2 | 177.3 | -171.7 | 71 | 0 | 0 | 0 | 110.8 | L1037 F1201 V1282 V1283 F1288 Q1289 Y1290 | L1037-L1286 HydrophobicContact CD1-CD1 3.88Å; L1037-L1286 HydrophobicContact CD2-CD1 3.74Å; L1037-L1286 HydrophobicContact CG-CD1 4.47Å; F1201-L1286 HydrophobicContact CD1-CD2 3.82Å; F1201-L1286 HydrophobicContact CE1-CD2 3.82Å; V1282-L1286 PolarHBondContact O-N 3.3Å; V1283-L1286 PolarHBondContact O-N 2.85Å; L1286-F1288 VanDerWaalsContact C-N 3.3Å; L1286-F1288 PolarHBondContact O-N 3.1Å; L1286-Q1289 WeakPolarHBondContact O-CB 3.42Å; L1286-Q1289 PolarHBondContact O-N 2.85Å; L1286-Q1289 VanDerWaalsContact O-N 3.15Å; L1286-Y1290 HydrophobicContact CD1-CD2 4.46Å; L1286-Y1290 HydrophobicContact CD1-CE2 4Å; L1286-Y1290 HydrophobicContact CG-CD2 4.25Å; L1286-Y1290 HydrophobicContact CG-CE2 4.04Å; L1286-Y1290 WeakPolarHBondContact O-CD2 3.48Å; L1286-Y1290 PolarHBondContact O-N 3.05Å; L1286-Y1290 VanDerWaalsContact O-N 3.11Å |
| 1287 | C | 86.8 | Confident | 79.9 | Confident | 64 Ų | 64 | 60.4 Ų | 60.4 | 43% | 0.432 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57 | -45 | 176.5 | -68.7 | 0 | 0 | 0 | 0 | 111.7 | V1283 S1284 Q1289 Y1290 F1291 | V1283-C1287 PolarHBondContact O-N 3.12Å; V1283-C1287 PolarHBondContact O-SG 2.62Å; S1284-C1287 PolarHBondContact O-N 3.06Å; C1287-Q1289 VanDerWaalsContact C-N 3.33Å; C1287-Q1289 PolarHBondContact O-N 3.48Å; C1287-Y1290 PolarHBondContact O-N 3.16Å; C1287-F1291 WeakPolarHBondContact O-CD2 3.26Å; C1287-F1291 PolarHBondContact O-N 2.94Å |
| 1288 | F | 84.5 | Confident | 78.7 | Confident | 26 Ų | 26 | 59 Ų | 59 | 11% | 0.114 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.1 | -41.8 | 176.9 | -178.2 | -109.8 | 0 | 0 | 0 | 112.5 | L1269 I1272 D1273 I1276 S1284 K1285 L1286 F1291 L1292 | L1269-F1288 HydrophobicContact CB-CZ 4.33Å; L1269-F1288 HydrophobicContact CD2-CE2 3.56Å; L1269-F1288 HydrophobicContact CD2-CZ 3.79Å; I1272-F1288 HydrophobicContact CB-CE2 4.15Å; I1272-F1288 HydrophobicContact CG2-CD2 3.78Å; I1272-F1288 HydrophobicContact CG2-CE2 3.63Å; I1272-F1288 HydrophobicContact CG2-CZ 4.41Å; D1273-F1288 HydrophobicContact CB-CE1 4Å; D1273-F1288 HydrophobicContact CB-CZ 4.23Å; D1273-F1288 WeakPolarHBondContact OD1-CE1 3.25Å; I1276-F1288 HydrophobicContact CD1-CB 3.61Å; I1276-F1288 HydrophobicContact CD1-CD1 4.29Å; I1276-F1288 HydrophobicContact CD1-CD2 4.13Å; I1276-F1288 HydrophobicContact CD1-CG 3.78Å; S1284-F1288 VanDerWaalsContact O-CB 3.31Å; S1284-F1288 WeakPolarHBondContact O-CB 3.46Å; S1284-F1288 PolarHBondContact O-N 2.99Å; K1285-F1288 PolarHBondContact O-N 3.44Å; L1286-F1288 VanDerWaalsContact C-N 3.3Å; L1286-F1288 PolarHBondContact O-N 3.1Å; F1288-F1291 PolarHBondContact O-N 2.93Å; F1288-L1292 WeakPolarHBondContact O-CB 3.09Å; F1288-L1292 PolarHBondContact O-N 3.35Å |
| 1289 | Q | 80 | Confident | 77.2 | Confident | 28 Ų | 28 | 63.7 Ų | 63.7 | 13% | 0.131 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 175.9 | -174.6 | 73.9 | -5.5 | 0 | 0 | 112 | K1285 L1286 C1287 L1292 V1293 | K1285-Q1289 WeakPolarHBondContact O-CB 3.39Å; K1285-Q1289 PolarHBondContact O-N 3.41Å; L1286-Q1289 WeakPolarHBondContact O-CB 3.42Å; L1286-Q1289 PolarHBondContact O-N 2.85Å; L1286-Q1289 VanDerWaalsContact O-N 3.15Å; C1287-Q1289 VanDerWaalsContact C-N 3.33Å; C1287-Q1289 PolarHBondContact O-N 3.48Å; Q1289-L1292 PolarHBondContact O-N 2.96Å; Q1289-V1293 HydrophobicContact CG-CG2 4.48Å; Q1289-V1293 VanDerWaalsContact O-CG2 3.26Å; Q1289-V1293 WeakPolarHBondContact O-CG2 3.44Å; Q1289-V1293 PolarHBondContact O-N 3.35Å |
| 1290 | Y | 82.5 | Confident | 75.5 | Confident | 59 Ų | 59 | 57.5 Ų | 57.5 | 23% | 0.231 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61 | -46.3 | 176.2 | -86.2 | -91.5 | 0 | 0 | 0 | 112 | L1033 L1037 F1201 L1286 C1287 L1292 V1293 L1294 | L1033-Y1290 HydrophobicContact CB-CE1 3.97Å; L1033-Y1290 HydrophobicContact CD1-CD1 4.08Å; L1033-Y1290 HydrophobicContact CD1-CE1 4.05Å; L1033-Y1290 HydrophobicContact CD2-CD1 3.6Å; L1033-Y1290 HydrophobicContact CD2-CD2 4.49Å; L1033-Y1290 HydrophobicContact CD2-CE1 3.74Å; L1033-Y1290 HydrophobicContact CD2-CG 4Å; L1033-Y1290 HydrophobicContact CG-CD1 4.32Å; L1033-Y1290 HydrophobicContact CG-CE1 4.13Å; L1033-Y1290 PolarHBondContact O-OH 3.42Å; L1037-Y1290 HydrophobicContact CD1-CE2 4.1Å; F1201-Y1290 HydrophobicContact CE1-CE2 4.29Å; L1286-Y1290 HydrophobicContact CD1-CD2 4.46Å; L1286-Y1290 HydrophobicContact CD1-CE2 4Å; L1286-Y1290 HydrophobicContact CG-CD2 4.25Å; L1286-Y1290 HydrophobicContact CG-CE2 4.04Å; L1286-Y1290 WeakPolarHBondContact O-CD2 3.48Å; L1286-Y1290 PolarHBondContact O-N 3.05Å; L1286-Y1290 VanDerWaalsContact O-N 3.11Å; C1287-Y1290 PolarHBondContact O-N 3.16Å; Y1290-L1292 VanDerWaalsContact C-N 3.33Å; Y1290-L1292 PolarHBondContact O-N 3.24Å; Y1290-V1293 PolarHBondContact O-N 3.04Å; Y1290-L1294 WeakPolarHBondContact O-CB 3.47Å; Y1290-L1294 WeakPolarHBondContact O-CG 3.27Å; Y1290-L1294 PolarHBondContact O-N 3.36Å |
| 1291 | F | 83.1 | Confident | 74.1 | Confident | 157 Ų | 157 | 52 Ų | 52 | 69% | 0.689 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62.6 | -39.1 | 177.2 | -78.7 | -66.5 | 0 | 0 | 0 | 112.3 | C1287 F1288 G1295 | C1287-F1291 WeakPolarHBondContact O-CD2 3.26Å; C1287-F1291 PolarHBondContact O-N 2.94Å; F1288-F1291 PolarHBondContact O-N 2.93Å; F1291-G1295 WeakPolarHBondContact O-CA 3.19Å; F1291-G1295 PolarHBondContact O-N 3.03Å |
| 1292 | L | 77 | Confident | 72.2 | Confident | 15 Ų | 15 | 57.3 Ų | 57.3 | 8% | 0.079 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.3 | -46.6 | 178.8 | -171.1 | 78.4 | 0 | 0 | 0 | 112 | L1269 F1288 Q1289 Y1290 T1296 K1330 | L1269-L1292 HydrophobicContact CD1-CD1 3.76Å; L1269-L1292 HydrophobicContact CD2-CD1 4.18Å; F1288-L1292 WeakPolarHBondContact O-CB 3.09Å; F1288-L1292 PolarHBondContact O-N 3.35Å; Q1289-L1292 PolarHBondContact O-N 2.96Å; Y1290-L1292 VanDerWaalsContact C-N 3.33Å; Y1290-L1292 PolarHBondContact O-N 3.24Å; L1292-T1296 HydrophobicContact CD1-CG2 4.34Å; L1292-T1296 HydrophobicContact CG-CG2 4.41Å; L1292-T1296 WeakPolarHBondContact O-CB 3.25Å; L1292-T1296 VanDerWaalsContact O-CG2 3.28Å; L1292-T1296 WeakPolarHBondContact O-CG2 3.33Å; L1292-T1296 PolarHBondContact O-N 2.97Å; L1292-T1296 PolarHBondContact O-OG1 3.31Å; L1292-K1330 HydrophobicContact CD2-CD 4.09Å |
| 1293 | V | 72.3 | Confident | 70.5 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.5 | -48.9 | -179.6 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | F1029 F1032 L1033 Q1289 Y1290 T1296 H1297 L1327 | F1029-V1293 HydrophobicContact CD1-CG1 3.74Å; F1029-V1293 HydrophobicContact CE1-CG1 3.9Å; F1032-V1293 HydrophobicContact CB-CG1 4.35Å; F1032-V1293 HydrophobicContact CB-CG2 4.01Å; L1033-V1293 HydrophobicContact CD1-CG1 4.25Å; L1033-V1293 HydrophobicContact CD2-CB 3.92Å; L1033-V1293 HydrophobicContact CD2-CG1 3.96Å; L1033-V1293 HydrophobicContact CD2-CG2 3.99Å; L1033-V1293 HydrophobicContact CG-CG1 4.03Å; Q1289-V1293 HydrophobicContact CG-CG2 4.48Å; Q1289-V1293 VanDerWaalsContact O-CG2 3.26Å; Q1289-V1293 WeakPolarHBondContact O-CG2 3.44Å; Q1289-V1293 PolarHBondContact O-N 3.35Å; Y1290-V1293 PolarHBondContact O-N 3.04Å; V1293-T1296 PolarHBondContact O-OG1 3.33Å; V1293-H1297 WeakPolarHBondContact O-CB 3.24Å; V1293-H1297 PolarHBondContact O-N 2.98Å; V1293-L1327 HydrophobicContact CG1-CD2 4.37Å; V1293-L1327 HydrophobicContact CG2-CD1 3.77Å; V1293-L1327 HydrophobicContact CG2-CD2 4.28Å |
| 1294 | L | 77.1 | Confident | 68.4 | Low | 88 Ų | 88 | 59 Ų | 59 | 46% | 0.461 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.7 | -40.9 | 179.9 | -67.8 | 171.4 | 0 | 0 | 0 | 111.8 | F1029 L1033 Y1290 G1298 | F1029-L1294 HydrophobicContact CE1-CD2 4.35Å; F1029-L1294 HydrophobicContact CE2-CD2 4.32Å; F1029-L1294 HydrophobicContact CZ-CD2 4.04Å; L1033-L1294 HydrophobicContact CD1-CD2 4.48Å; Y1290-L1294 WeakPolarHBondContact O-CB 3.47Å; Y1290-L1294 WeakPolarHBondContact O-CG 3.27Å; Y1290-L1294 PolarHBondContact O-N 3.36Å; L1294-G1298 PolarHBondContact O-N 2.66Å |
| 1295 | G | 69.4 | Low | 66.4 | Low | 25 Ų | 25 | 58.3 Ų | 58.3 | 26% | 0.258 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.8 | -47 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F1291 I1299 | F1291-G1295 WeakPolarHBondContact O-CA 3.19Å; F1291-G1295 PolarHBondContact O-N 3.03Å; G1295-I1299 WeakPolarHBondContact O-CB 3.11Å; G1295-I1299 WeakPolarHBondContact O-CD1 3.45Å; G1295-I1299 WeakPolarHBondContact O-CG1 3.29Å; G1295-I1299 PolarHBondContact O-N 3.27Å |
| 1296 | T | 65.1 | Low | 64.6 | Low | 13 Ų | 13 | 61 Ų | 61 | 8% | 0.08 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.5 | -44.3 | 179.4 | 53.8 | 0 | 0 | 0 | 0 | 112 | L1292 V1293 D1300 N1323 | L1292-T1296 HydrophobicContact CD1-CG2 4.34Å; L1292-T1296 HydrophobicContact CG-CG2 4.41Å; L1292-T1296 WeakPolarHBondContact O-CB 3.25Å; L1292-T1296 VanDerWaalsContact O-CG2 3.28Å; L1292-T1296 WeakPolarHBondContact O-CG2 3.33Å; L1292-T1296 PolarHBondContact O-N 2.97Å; L1292-T1296 PolarHBondContact O-OG1 3.31Å; V1293-T1296 PolarHBondContact O-OG1 3.33Å; T1296-D1300 WeakPolarHBondContact O-CB 3.48Å; T1296-D1300 PolarHBondContact O-N 3.35Å; T1296-N1323 HydrophobicContact CG2-CB 4.29Å |
| 1297 | H | 66.1 | Low | 62.6 | Low | 28 Ų | 28 | 62.6 Ų | 62.6 | 13% | 0.13 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -74.9 | -29.3 | -179.4 | -69.6 | 13.7 | 0 | 0 | 0 | 113.2 | F1029 V1293 L1327 | F1029-H1297 AromaticContact CD1-CD2 3.78Å; F1029-H1297 HydrophobicContact CE1-CB 3.57Å; F1029-H1297 AromaticContact CE1-CD2 3.35Å; F1029-H1297 WeakPolarHBondContact CE1-CD2 3.44Å; F1029-H1297 AromaticContact CE1-CG 3.72Å; F1029-H1297 HydrophobicContact CZ-CB 3.81Å; V1293-H1297 WeakPolarHBondContact O-CB 3.24Å; V1293-H1297 PolarHBondContact O-N 2.98Å; H1297-L1327 WeakPolarHBondContact CE1-CD2 3.2Å; H1297-L1327 WeakPolarHBondContact NE2-CD2 3.35Å |
| 1298 | G | 60.8 | Low | 60.4 | Low | 55 Ų | 55 | 63.2 Ų | 63.2 | 57% | 0.567 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -80.1 | -34 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1294 | L1294-G1298 PolarHBondContact O-N 2.66Å |
| 1299 | I | 52.4 | Low | 58.4 | Low | 129 Ų | 129 | 65.2 Ų | 65.2 | 66% | 0.662 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -85.2 | -27.2 | -175.2 | -63.8 | 169 | 0 | 0 | 0 | 112.2 | G1295 | G1295-I1299 WeakPolarHBondContact O-CB 3.11Å; G1295-I1299 WeakPolarHBondContact O-CD1 3.45Å; G1295-I1299 WeakPolarHBondContact O-CG1 3.29Å; G1295-I1299 PolarHBondContact O-N 3.27Å |
| 1300 | D | 49.7 | Very low | 56.8 | Low | 28 Ų | 28 | 68 Ų | 68 | 15% | 0.15 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -86.5 | -19.7 | -173.2 | -78.4 | -45.4 | 0 | 0 | 0 | 115.8 | T1296 E1302 R1303 C1304 N1323 | T1296-D1300 WeakPolarHBondContact O-CB 3.48Å; T1296-D1300 PolarHBondContact O-N 3.35Å; D1300-E1302 VanDerWaalsContact C-N 3.26Å; D1300-E1302 PolarHBondContact O-N 3.34Å; D1300-R1303 PolarHBondContact O-N 3.27Å; D1300-C1304 WeakPolarHBondContact O-CB 3.43Å; D1300-C1304 PolarHBondContact O-N 3.36Å; D1300-N1323 PolarHBondContact OD1-ND2 3.22Å; D1300-N1323 WeakPolarHBondContact OD2-CB 3.37Å; D1300-N1323 VanDerWaalsContact OD2-CG 3.28Å; D1300-N1323 PolarHBondContact OD2-ND2 3.39Å |
| 1301 | E | 48.6 | Very low | 54.7 | Low | 58 Ų | 58 | 70.3 Ų | 70.3 | 27% | 0.271 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.5 | -30.1 | -173.3 | -159.5 | 171.1 | -160.3 | 0 | 0 | 112.4 | V1022 R1305 | V1022-E1301 WeakPolarHBondContact CG2-OE1 3.46Å; V1022-E1301 PolarHBondContact N-OE1 2.88Å; E1301-R1305 VanDerWaalsContact O-CD 3.29Å; E1301-R1305 WeakPolarHBondContact O-CD 3.46Å |
| 1302 | E | 45.7 | Very low | 52.4 | Low | 149 Ų | 149 | 72.6 Ų | 72.6 | 70% | 0.696 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -81.9 | -30.1 | 175.9 | -78.7 | -174.1 | 149 | 0 | 0 | 113.5 | D1300 H1306 | D1300-E1302 VanDerWaalsContact C-N 3.26Å; D1300-E1302 PolarHBondContact O-N 3.34Å; E1302-H1306 PolarHBondContact O-CD2 3.45Å |
| 1303 | R | 43.1 | Very low | 50.4 | Low | 168 Ų | 168 | 77.6 Ų | 77.6 | 63% | 0.634 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -105.8 | -34.5 | -165.7 | -147.7 | 151.1 | -146.3 | 165.6 | 8.2 | 115 | P1258 D1300 R1305 H1306 | P1258-R1303 VanDerWaalsContact CG-CZ 3.49Å; D1300-R1303 PolarHBondContact O-N 3.27Å; R1303-R1305 PolarHBondContact O-N 3.04Å; R1303-H1306 PolarHBondContact O-N 3.15Å |
| 1304 | C | 43.3 | Very low | 48.6 | Very low | 24 Ų | 24 | 87.6 Ų | 87.6 | 16% | 0.162 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -26.1 | 173.7 | -111 | 0 | 0 | 0 | 0 | 112.6 | D1300 H1306 A1307 L1308 C1321 | D1300-C1304 WeakPolarHBondContact O-CB 3.43Å; D1300-C1304 PolarHBondContact O-N 3.36Å; C1304-H1306 VanDerWaalsContact C-N 3.26Å; C1304-H1306 PolarHBondContact O-N 2.86Å; C1304-A1307 PolarHBondContact O-N 2.9Å; C1304-A1307 VanDerWaalsContact O-N 3.13Å; C1304-L1308 PolarHBondContact O-N 3.11Å; C1304-C1321 HydrophobicContact CB-CB 4.38Å; C1304-C1321 WeakPolarHBondContact CB-SG 3.45Å; C1304-C1321 WeakPolarHBondContact SG-CA 3.33Å; C1304-C1321 WeakPolarHBondContact SG-CB 3.49Å; C1304-C1321 CovalentContact SG-SG 2.03Å; C1304-C1321 PolarHBondContact SG-SG 3.13Å |
| 1305 | R | 43.2 | Very low | 46.5 | Very low | 35 Ų | 35 | 90.6 Ų | 90.6 | 13% | 0.132 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -64.9 | -27.2 | -179.8 | -141.4 | 143.6 | 176 | -89.5 | -11.9 | 113.7 | P1080 R1085 E1301 R1303 V1309 | P1080-R1305 PolarHBondContact O-NH1 2.78Å; P1080-R1305 PolarHBondContact O-NH2 3.02Å; R1085-R1305 PolarHBondContact O-NH2 2.03Å; E1301-R1305 VanDerWaalsContact O-CD 3.29Å; E1301-R1305 WeakPolarHBondContact O-CD 3.46Å; R1303-R1305 PolarHBondContact O-N 3.04Å; R1305-V1309 VanDerWaalsContact O-CG2 3.31Å; R1305-V1309 WeakPolarHBondContact O-CG2 3.23Å |
| 1306 | H | 43.3 | Very low | 44.8 | Very low | 110 Ų | 110 | 94.1 Ų | 94.1 | 51% | 0.509 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -72.4 | -27.4 | 175.1 | -84.7 | -77.6 | 0 | 0 | 0 | 113.2 | F1081 E1302 R1303 C1304 | F1081-H1306 AromaticContact CE2-CE1 3.81Å; F1081-H1306 AromaticContact CE2-NE2 3.49Å; F1081-H1306 WeakPolarHBondContact CE2-NE2 3.46Å; F1081-H1306 AromaticContact CZ-NE2 3.5Å; F1081-H1306 WeakPolarHBondContact CZ-NE2 3.27Å; E1302-H1306 PolarHBondContact O-CD2 3.45Å; R1303-H1306 PolarHBondContact O-N 3.15Å; C1304-H1306 VanDerWaalsContact C-N 3.26Å; C1304-H1306 PolarHBondContact O-N 2.86Å |
| 1307 | A | 40.7 | Very low | 43.4 | Very low | 56 Ų | 56 | 94.2 Ų | 94.2 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -91 | -27.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | C1304 | C1304-A1307 PolarHBondContact O-N 2.9Å; C1304-A1307 VanDerWaalsContact O-N 3.13Å |
| 1308 | L | 40.4 | Very low | 42.1 | Very low | 77 Ų | 77 | 95.1 Ų | 95.1 | 40% | 0.403 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -79.9 | -18.5 | -173.9 | -147.4 | 87.1 | 0 | 0 | 0 | 114.1 | C1304 A1317 | C1304-L1308 PolarHBondContact O-N 3.11Å; L1308-A1317 HydrophobicContact CD1-CB 4.38Å |
| 1309 | V | 43.7 | Very low | 41.1 | Very low | 67 Ų | 67 | 98.6 Ų | 98.6 | 41% | 0.406 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -92 | -18.4 | -166 | 175.7 | 0 | 0 | 0 | 0 | 113.6 | R1305 | R1305-V1309 VanDerWaalsContact O-CG2 3.31Å; R1305-V1309 WeakPolarHBondContact O-CG2 3.23Å |
| 1310 | S | 45.2 | Very low | 40.6 | Very low | 86 Ų | 86 | 96.7 Ų | 96.7 | 60% | 0.601 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -100 | -9.7 | -169.3 | 62.4 | 0 | 0 | 0 | 0 | 117 | ||
| 1311 | N | 39.1 | Very low | 40.1 | Very low | 109 Ų | 109 | 96.3 Ų | 96.3 | 58% | 0.583 | 47% | 0.471 | S | S | * | . | trans | -131.6 | 134.5 | -170.2 | -76.4 | -35.1 | 0 | 0 | 0 | 115.7 | E1313 | N1311-E1313 PolarHBondContact O-N 3.46Š| ||
| 1312 | Q | 35.1 | Very low | 39.8 | Very low | 204 Ų | 204 | 94.1 Ų | 94.1 | 95% | 0.953 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -69.3 | 6.1 | -179.6 | -142.8 | 167.4 | -10.7 | 0 | 0 | 113.8 | ||
| 1313 | E | 34.7 | Very low | 39.6 | Very low | 120 Ų | 120 | 87.9 Ų | 87.9 | 56% | 0.561 | 43% | 0.433 | S | S | * | . | trans | -103.9 | 65.5 | -178.2 | -61.8 | -170.3 | 174.8 | 0 | 0 | 111.6 | N1311 L1315 L1316 A1317 | N1311-E1313 PolarHBondContact O-N 3.46Å; E1313-L1315 PolarHBondContact O-N 3.28Å; E1313-L1315 VanDerWaalsContact O-N 3.12Å; E1313-L1316 PolarHBondContact O-N 3.02Å; E1313-A1317 PolarHBondContact O-N 3.4Å | ||
| 1314 | R | 34.1 | Very low | 39.3 | Very low | 210 Ų | 210 | 81.6 Ų | 81.6 | 79% | 0.792 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -54.5 | -28.2 | -175.7 | -87.1 | 178 | 169.1 | 166.3 | -2.9 | 115.5 | ||
| 1315 | L | 33.8 | Very low | 38.8 | Very low | 152 Ų | 152 | 82 Ų | 82 | 80% | 0.796 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -83.2 | -24.2 | -174.4 | -86.1 | 155 | 0 | 0 | 0 | 114.3 | E1313 F1319 | E1313-L1315 PolarHBondContact O-N 3.28Å; E1313-L1315 VanDerWaalsContact O-N 3.12Å; L1315-F1319 WeakPolarHBondContact O-CD2 3.23Å |
| 1316 | L | 32.6 | Very low | 38.4 | Very low | 99 Ų | 99 | 80.8 Ų | 80.8 | 52% | 0.518 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -96.6 | -22.8 | 178.4 | -76.1 | 164.8 | 0 | 0 | 0 | 112.3 | E1313 R1320 | E1313-L1316 PolarHBondContact O-N 3.02Å; L1316-R1320 VanDerWaalsContact O-CD 3.3Å; L1316-R1320 WeakPolarHBondContact O-CD 3.49Å; L1316-R1320 WeakPolarHBondContact O-CG 3.49Å; L1316-R1320 PolarHBondContact O-NE 3.42Å |
| 1317 | A | 36.3 | Very low | 38 | Very low | 14 Ų | 14 | 75.8 Ų | 75.8 | 12% | 0.116 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -75.5 | -31.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1308 E1313 F1319 R1320 | L1308-A1317 HydrophobicContact CD1-CB 4.38Å; E1313-A1317 PolarHBondContact O-N 3.4Å; A1317-F1319 VanDerWaalsContact C-N 3.28Å; A1317-F1319 PolarHBondContact O-N 2.98Å; A1317-R1320 WeakPolarHBondContact O-CB 3.4Å; A1317-R1320 PolarHBondContact O-N 3.43Å |
| 1318 | D | 39 | Very low | 37.6 | Very low | 48 Ų | 48 | 74.3 Ų | 74.3 | 26% | 0.257 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -22.9 | 177.7 | -83.4 | -10.9 | 0 | 0 | 0 | 113.4 | R1320 | D1318-R1320 VanDerWaalsContact C-N 3.35Š|
| 1319 | F | 38.9 | Very low | 37.4 | Very low | 128 Ų | 128 | 72.7 Ų | 72.7 | 56% | 0.561 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -11.4 | 169.9 | -82.6 | -90.9 | 0 | 0 | 0 | 113.1 | L1315 A1317 | L1315-F1319 WeakPolarHBondContact O-CD2 3.23Å; A1317-F1319 VanDerWaalsContact C-N 3.28Å; A1317-F1319 PolarHBondContact O-N 2.98Å |
| 1320 | R | 41.8 | Very low | 36.9 | Very low | 88 Ų | 88 | 70.4 Ų | 70.4 | 33% | 0.332 | 35% | 0.35 | S | S | . | . | trans | -92 | -7.2 | -168.6 | -81.5 | 170.2 | -166.3 | 158.8 | 0.6 | 115.1 | S1236 L1316 A1317 D1318 P1322 | S1236-R1320 WeakPolarHBondContact OG-CD 3.06Å; L1316-R1320 VanDerWaalsContact O-CD 3.3Å; L1316-R1320 WeakPolarHBondContact O-CD 3.49Å; L1316-R1320 WeakPolarHBondContact O-CG 3.49Å; L1316-R1320 PolarHBondContact O-NE 3.42Å; A1317-R1320 WeakPolarHBondContact O-CB 3.4Å; A1317-R1320 PolarHBondContact O-N 3.43Å; D1318-R1320 VanDerWaalsContact C-N 3.35Å; R1320-P1322 WeakPolarHBondContact O-CD 3.21Å | ||
| 1321 | C | 38.5 | Very low | 36.4 | Very low | 21 Ų | 21 | 66.6 Ų | 66.6 | 14% | 0.142 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -82.7 | 113.9 | 166.2 | -78.6 | 0 | 0 | 0 | 0 | 109 | C1304 N1323 P1324 | C1304-C1321 HydrophobicContact CB-CB 4.38Å; C1304-C1321 WeakPolarHBondContact CB-SG 3.45Å; C1304-C1321 WeakPolarHBondContact SG-CA 3.33Å; C1304-C1321 WeakPolarHBondContact SG-CB 3.49Å; C1304-C1321 CovalentContact SG-SG 2.03Å; C1304-C1321 PolarHBondContact SG-SG 3.13Å; C1321-N1323 PolarHBondContact O-N 2.7Å; C1321-P1324 HydrophobicContact CB-CG 4.21Å; C1321-P1324 WeakPolarHBondContact O-CD 3.41Å |
| 1322 | P | 42.4 | Very low | 36.2 | Very low | 11 Ų | 11 | 62.9 Ų | 62.9 | 7% | 0.071 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -68 | -8 | -167.4 | -22 | 34.3 | 0 | 0 | 0 | 116.2 | I1262 R1320 | I1262-P1322 HydrophobicContact CD1-CG 4.49Å; I1262-P1322 HydrophobicContact CG2-CG 4.49Å; R1320-P1322 WeakPolarHBondContact O-CD 3.21Å |
| 1323 | N | 42.5 | Very low | 36.3 | Very low | 18 Ų | 18 | 54.8 Ų | 54.8 | 10% | 0.096 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -122.3 | -23.7 | -160.2 | -71.3 | -26.9 | 0 | 0 | 0 | 118 | T1296 D1300 C1321 Q1325 R1326 | T1296-N1323 HydrophobicContact CG2-CB 4.29Å; D1300-N1323 PolarHBondContact OD1-ND2 3.22Å; D1300-N1323 WeakPolarHBondContact OD2-CB 3.37Å; D1300-N1323 VanDerWaalsContact OD2-CG 3.28Å; D1300-N1323 PolarHBondContact OD2-ND2 3.39Å; C1321-N1323 PolarHBondContact O-N 2.7Å; N1323-Q1325 PolarHBondContact O-N 3.09Å; N1323-R1326 PolarHBondContact O-N 3.02Å; N1323-R1326 VanDerWaalsContact O-N 3.16Å |
| 1324 | P | 36 | Very low | 36.6 | Very low | 36 Ų | 36 | 55.1 Ų | 55.1 | 23% | 0.234 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.8 | -22.4 | 168.7 | 24.1 | -32.1 | 0 | 0 | 0 | 112 | M1017 C1321 S1328 | M1017-P1324 HydrophobicContact CG-CB 4.17Å; C1321-P1324 HydrophobicContact CB-CG 4.21Å; C1321-P1324 WeakPolarHBondContact O-CD 3.41Å; P1324-S1328 WeakPolarHBondContact O-CB 3.4Å; P1324-S1328 PolarHBondContact O-N 2.91Å; P1324-S1328 PolarHBondContact O-OG 3.35Å |
| 1325 | Q | 33.7 | Very low | 36.5 | Very low | 34 Ų | 34 | 46.6 Ų | 46.6 | 16% | 0.159 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.5 | -36.6 | 172.3 | -73 | 179.6 | 2.2 | 0 | 0 | 112.6 | N1323 L1327 S1328 V1329 | N1323-Q1325 PolarHBondContact O-N 3.09Å; Q1325-L1327 PolarHBondContact O-N 3.35Å; Q1325-S1328 VanDerWaalsContact CA-OG 3.27Å; Q1325-S1328 WeakPolarHBondContact CA-OG 3.47Å; Q1325-S1328 PolarHBondContact O-OG 3.44Å; Q1325-V1329 VanDerWaalsContact O-CB 3.24Å; Q1325-V1329 WeakPolarHBondContact O-CB 3.35Å; Q1325-V1329 WeakPolarHBondContact O-CG2 3.21Å; Q1325-V1329 PolarHBondContact O-N 3.13Å |
| 1326 | R | 35.7 | Very low | 36.4 | Very low | 9 Ų | 9 | 44.4 Ų | 44.4 | 3% | 0.034 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.4 | -20.5 | 176.5 | -79.3 | -178.1 | 155.7 | -156.6 | -8.5 | 114.4 | D1223 C1226 L1266 N1323 K1330 | D1223-R1326 IonicContact OD1-CZ 3.91Å; D1223-R1326 IonicContact OD1-NE 3.42Å; D1223-R1326 IonicContact OD1-NH2 2.91Å; C1226-R1326 HydrophobicContact CB-CG 3.9Å; C1226-R1326 VanDerWaalsContact SG-CG 3.51Å; L1266-R1326 VanDerWaalsContact CB-NH2 3.28Å; N1323-R1326 PolarHBondContact O-N 3.02Å; N1323-R1326 VanDerWaalsContact O-N 3.16Å; R1326-K1330 WeakPolarHBondContact O-CD 3.49Å; R1326-K1330 VanDerWaalsContact O-CG 3.27Å; R1326-K1330 WeakPolarHBondContact O-CG 3.28Å |
| 1327 | L | 33.5 | Very low | 36.5 | Very low | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -105.3 | -32.1 | 178.7 | -141.7 | 70.2 | 0 | 0 | 0 | 112.8 | F1032 V1293 H1297 Q1325 K1330 V1331 | F1032-L1327 HydrophobicContact CD1-CD2 4.31Å; F1032-L1327 HydrophobicContact CD1-CG 3.99Å; F1032-L1327 HydrophobicContact CD2-CD2 3.19Å; F1032-L1327 HydrophobicContact CD2-CG 3.75Å; F1032-L1327 HydrophobicContact CE1-CD2 4.27Å; F1032-L1327 HydrophobicContact CE1-CG 3.71Å; F1032-L1327 VanDerWaalsContact CE1-O 3.23Å; F1032-L1327 WeakPolarHBondContact CE1-O 3.28Å; F1032-L1327 HydrophobicContact CE2-CB 4.23Å; F1032-L1327 HydrophobicContact CE2-CD2 3.22Å; F1032-L1327 HydrophobicContact CE2-CG 3.53Å; F1032-L1327 HydrophobicContact CG-CD2 3.8Å; F1032-L1327 HydrophobicContact CG-CG 4Å; F1032-L1327 HydrophobicContact CZ-CB 4.03Å; F1032-L1327 HydrophobicContact CZ-CD2 3.79Å; F1032-L1327 HydrophobicContact CZ-CG 3.5Å; F1032-L1327 VanDerWaalsContact CZ-O 3.23Å; F1032-L1327 WeakPolarHBondContact CZ-O 3.37Å; V1293-L1327 HydrophobicContact CG1-CD2 4.37Å; V1293-L1327 HydrophobicContact CG2-CD1 3.77Å; V1293-L1327 HydrophobicContact CG2-CD2 4.28Å; H1297-L1327 WeakPolarHBondContact CE1-CD2 3.2Å; H1297-L1327 WeakPolarHBondContact NE2-CD2 3.35Å; Q1325-L1327 PolarHBondContact O-N 3.35Å; L1327-K1330 HydrophobicContact CD1-CD 4.28Å; L1327-K1330 WeakPolarHBondContact O-CB 3.05Å; L1327-K1330 PolarHBondContact O-N 2.75Å; L1327-V1331 PolarHBondContact O-N 3.29Å |
| 1328 | S | 33.4 | Very low | 36.5 | Very low | 26 Ų | 26 | 48.5 Ų | 48.5 | 18% | 0.182 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.1 | -34.3 | 171.3 | 43.7 | 0 | 0 | 0 | 0 | 113 | P1324 Q1325 K1330 V1331 A1332 | P1324-S1328 WeakPolarHBondContact O-CB 3.4Å; P1324-S1328 PolarHBondContact O-N 2.91Å; P1324-S1328 PolarHBondContact O-OG 3.35Å; Q1325-S1328 VanDerWaalsContact CA-OG 3.27Å; Q1325-S1328 WeakPolarHBondContact CA-OG 3.47Å; Q1325-S1328 PolarHBondContact O-OG 3.44Å; S1328-K1330 VanDerWaalsContact C-N 3.3Å; S1328-V1331 PolarHBondContact O-N 3.34Å; S1328-A1332 PolarHBondContact O-N 3.44Å |
| 1329 | V | 35.4 | Very low | 36.2 | Very low | 43 Ų | 43 | 48.1 Ų | 48.1 | 26% | 0.261 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -75.5 | -25.4 | 175.3 | -175 | 0 | 0 | 0 | 0 | 111.1 | C1222 Q1325 V1331 A1332 E1333 | C1222-V1329 HydrophobicContact CB-CB 4.3Å; C1222-V1329 HydrophobicContact CB-CG1 3.37Å; C1222-V1329 WeakPolarHBondContact SG-CG1 3.26Å; Q1325-V1329 VanDerWaalsContact O-CB 3.24Å; Q1325-V1329 WeakPolarHBondContact O-CB 3.35Å; Q1325-V1329 WeakPolarHBondContact O-CG2 3.21Å; Q1325-V1329 PolarHBondContact O-N 3.13Å; V1329-V1331 VanDerWaalsContact C-N 3.26Å; V1329-V1331 PolarHBondContact O-N 3.01Å; V1329-A1332 HydrophobicContact CG1-CB 4.44Å; V1329-A1332 CarbonylContact O-C 3.56Å; V1329-A1332 WeakPolarHBondContact O-CA 3.39Å; V1329-A1332 VanDerWaalsContact O-CB 3.25Å; V1329-A1332 WeakPolarHBondContact O-CB 3.38Å; V1329-A1332 PolarHBondContact O-N 3.04Å; V1329-E1333 WeakPolarHBondContact O-CG 3.14Å; V1329-E1333 PolarHBondContact O-N 3.21Å |
| 1330 | K | 33.8 | Very low | 35.9 | Very low | 18 Ų | 18 | 46.9 Ų | 46.9 | 8% | 0.078 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.6 | -21.3 | 166.3 | -78.6 | -175.5 | 164 | -162.8 | 0 | 115 | L1292 R1326 L1327 S1328 E1333 | L1292-K1330 HydrophobicContact CD2-CD 4.09Å; R1326-K1330 WeakPolarHBondContact O-CD 3.49Å; R1326-K1330 VanDerWaalsContact O-CG 3.27Å; R1326-K1330 WeakPolarHBondContact O-CG 3.28Å; L1327-K1330 HydrophobicContact CD1-CD 4.28Å; L1327-K1330 WeakPolarHBondContact O-CB 3.05Å; L1327-K1330 PolarHBondContact O-N 2.75Å; S1328-K1330 VanDerWaalsContact C-N 3.3Å; K1330-E1333 VanDerWaalsContact CA-CD 3.44Å; K1330-E1333 WeakPolarHBondContact CG-OE1 3.35Å; K1330-E1333 WeakPolarHBondContact CG-OE2 3.44Å; K1330-E1333 WeakPolarHBondContact O-CB 3.4Å |
| 1331 | V | 33.9 | Very low | 35.4 | Very low | 6 Ų | 6 | 48.6 Ų | 48.6 | 4% | 0.036 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -81.2 | -31.5 | 166.9 | -177 | 0 | 0 | 0 | 0 | 110.7 | Y1009 I1013 F1032 L1327 S1328 V1329 E1333 | Y1009-V1331 HydrophobicContact CD2-CG1 4.45Å; Y1009-V1331 HydrophobicContact CG-CG1 4.48Å; I1013-V1331 HydrophobicContact CD1-CB 4.38Å; I1013-V1331 HydrophobicContact CD1-CG2 3.78Å; F1032-V1331 HydrophobicContact CD1-CG2 4.3Å; F1032-V1331 HydrophobicContact CE1-CG2 3.2Å; F1032-V1331 HydrophobicContact CZ-CG2 3.49Å; F1032-V1331 VanDerWaalsContact CZ-CG2 3.49Å; L1327-V1331 PolarHBondContact O-N 3.29Å; S1328-V1331 PolarHBondContact O-N 3.34Å; V1329-V1331 VanDerWaalsContact C-N 3.26Å; V1329-V1331 PolarHBondContact O-N 3.01Å; V1331-E1333 PolarHBondContact O-N 3.36Å |
| 1332 | A | 35 | Very low | 35.2 | Very low | 32 Ų | 32 | 52.3 Ų | 52.3 | 26% | 0.264 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.6 | -17.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113 | S1328 V1329 Q1334 L1335 | S1328-A1332 PolarHBondContact O-N 3.44Å; V1329-A1332 HydrophobicContact CG1-CB 4.44Å; V1329-A1332 CarbonylContact O-C 3.56Å; V1329-A1332 WeakPolarHBondContact O-CA 3.39Å; V1329-A1332 VanDerWaalsContact O-CB 3.25Å; V1329-A1332 WeakPolarHBondContact O-CB 3.38Å; V1329-A1332 PolarHBondContact O-N 3.04Å; A1332-Q1334 PolarHBondContact O-N 2.94Å; A1332-L1335 WeakPolarHBondContact O-CB 3.48Å; A1332-L1335 PolarHBondContact O-N 3.03Å |
| 1333 | E | 37.9 | Very low | 35.1 | Very low | 34 Ų | 34 | 61 Ų | 61 | 16% | 0.159 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -13.8 | 179.3 | -75.3 | 168.9 | -170.5 | 0 | 0 | 114.6 | F1215 M1219 V1329 K1330 V1331 | F1215-E1333 VanDerWaalsContact CD1-O 3.24Å; F1215-E1333 WeakPolarHBondContact CD1-O 3.21Å; F1215-E1333 WeakPolarHBondContact CE1-O 3.48Å; M1219-E1333 HydrophobicContact CG-CG 4.16Å; V1329-E1333 WeakPolarHBondContact O-CG 3.14Å; V1329-E1333 PolarHBondContact O-N 3.21Å; K1330-E1333 VanDerWaalsContact CA-CD 3.44Å; K1330-E1333 WeakPolarHBondContact CG-OE1 3.35Å; K1330-E1333 WeakPolarHBondContact CG-OE2 3.44Å; K1330-E1333 WeakPolarHBondContact O-CB 3.4Å; V1331-E1333 PolarHBondContact O-N 3.36Å |
| 1334 | Q | 39.6 | Very low | 35.3 | Very low | 126 Ų | 126 | 66.7 Ų | 66.7 | 59% | 0.589 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | -7 | 169.1 | -91.7 | 168.6 | -45.9 | 0 | 0 | 113.6 | A1332 | A1332-Q1334 PolarHBondContact O-N 2.94Š|
| 1335 | L | 32.2 | Very low | 35.9 | Very low | 31 Ų | 31 | 69.3 Ų | 69.3 | 16% | 0.162 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -13.7 | -177.4 | -95.3 | 134.5 | 0 | 0 | 0 | 114 | W915 I1006 A1332 | W915-L1335 HydrophobicContact CH2-CD2 3.77Å; W915-L1335 HydrophobicContact CZ2-CD2 3.81Å; W915-L1335 WeakPolarHBondContact CZ2-O 3.33Å; I1006-L1335 HydrophobicContact CB-CD1 4.33Å; I1006-L1335 HydrophobicContact CD1-CD1 4.16Å; I1006-L1335 HydrophobicContact CD1-CD2 3.79Å; I1006-L1335 HydrophobicContact CD1-CG 3.61Å; I1006-L1335 HydrophobicContact CG1-CD1 3.95Å; I1006-L1335 HydrophobicContact CG1-CD2 4.4Å; I1006-L1335 HydrophobicContact CG1-CG 3.98Å; I1006-L1335 HydrophobicContact CG2-CD1 3.5Å; I1006-L1335 VanDerWaalsContact CG2-CD1 3.5Å; I1006-L1335 HydrophobicContact CG2-CD2 3.91Å; I1006-L1335 HydrophobicContact CG2-CG 4.02Å; A1332-L1335 WeakPolarHBondContact O-CB 3.48Å; A1332-L1335 PolarHBondContact O-N 3.03Å |
| 1336 | F | 32.5 | Very low | 36.8 | Very low | 107 Ų | 107 | 70.5 Ų | 70.5 | 47% | 0.469 | 35% | 0.35 | S | S | . | . | trans | -107.3 | 64.5 | -180 | -86.2 | -79.7 | 0 | 0 | 0 | 110.6 | A1339 | F1336-A1339 HydrophobicContact CD1-CB 3.58Å; F1336-A1339 HydrophobicContact CE1-CB 3.9Å | ||
| 1337 | D | 35.5 | Very low | 37.7 | Very low | 74 Ų | 74 | 74 Ų | 74 | 40% | 0.396 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -83 | 131.4 | 155.2 | -108.4 | -21.3 | 0 | 0 | 0 | 107.4 | ||
| 1338 | E | 36.3 | Very low | 39 | Very low | 125 Ų | 125 | 79.7 Ų | 79.7 | 58% | 0.584 | 39% | 0.391 | S | S | * | . | S | Bend | trans | 63.7 | 47.4 | 175 | -62.3 | -159.2 | 126.3 | 0 | 0 | 119.9 | R914 | R914-E1338 IonicContact CZ-OE1 2.77Å; R914-E1338 IonicContact CZ-OE2 2.98Å; R914-E1338 IonicContact NE-OE2 3.25Å; R914-E1338 PolarHBondContact NE-OE2 3.33Å; R914-E1338 VanDerWaalsContact NH2-CD 3.28Å; R914-E1338 IonicContact NH2-OE1 3.79Å; R914-E1338 PolarHBondContact NH2-OE1 2.86Å; R914-E1338 IonicContact NH2-OE2 3.66Å; R914-E1338 PolarHBondContact NH2-OE2 3.1Å |
| 1339 | A | 32.4 | Very low | 40.5 | Very low | 40 Ų | 40 | 81.5 Ų | 81.5 | 33% | 0.331 | 40% | 0.397 | S | S | . | . | trans | -122.7 | 24.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | F1336 | F1336-A1339 HydrophobicContact CD1-CB 3.58Å; F1336-A1339 HydrophobicContact CE1-CB 3.9Å | ||
| 1340 | L | 30.9 | Very low | 42 | Very low | 101 Ų | 101 | 85.2 Ų | 85.2 | 53% | 0.529 | 41% | 0.406 | S | S | . | . | trans | -133 | 54.7 | 160.4 | -150.9 | 84.5 | 0 | 0 | 0 | 111.7 | L1342 | L1340-L1342 HydrophobicContact CD1-CB 3.93Å; L1340-L1342 HydrophobicContact CD1-CD1 4.19Å; L1340-L1342 HydrophobicContact CG-CB 4.09Å; L1340-L1342 PolarHBondContact O-N 3Å | ||
| 1341 | Q | 32.6 | Very low | 43.6 | Very low | 124 Ų | 124 | 89.5 Ų | 89.5 | 58% | 0.579 | 43% | 0.429 | S | S | * | . | trans | -70.6 | 16.6 | 149.4 | -88.6 | -173.4 | -27 | 0 | 0 | 112.2 | R1343 | Q1341-R1343 PolarHBondContact O-N 2.92Š| ||
| 1342 | L | 33 | Very low | 45.2 | Very low | 99 Ų | 99 | 91 Ų | 91 | 52% | 0.518 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -76 | 30.9 | 163.6 | -84 | 157.3 | 0 | 0 | 0 | 112 | L1340 E1344 L1345 | L1340-L1342 HydrophobicContact CD1-CB 3.93Å; L1340-L1342 HydrophobicContact CD1-CD1 4.19Å; L1340-L1342 HydrophobicContact CG-CB 4.09Å; L1340-L1342 PolarHBondContact O-N 3Å; L1342-E1344 PolarHBondContact O-N 3.14Å; L1342-L1345 HydrophobicContact CD2-CD1 4.09Å |
| 1343 | R | 41.4 | Very low | 47 | Very low | 195 Ų | 195 | 91 Ų | 91 | 74% | 0.736 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -68.4 | -10.5 | 174.3 | -152.8 | 171.3 | -175.8 | -159.4 | -1.5 | 111.7 | Q1341 | Q1341-R1343 PolarHBondContact O-N 2.92Š|
| 1344 | E | 47.5 | Very low | 48.6 | Very low | 137 Ų | 137 | 96.2 Ų | 96.2 | 64% | 0.64 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -89.3 | -8.9 | -172.7 | -66.1 | -118.8 | 128.3 | 0 | 0 | 116.2 | L1342 | L1342-E1344 PolarHBondContact O-N 3.14Š|
| 1345 | L | 47.3 | Very low | 50.1 | Low | 91 Ų | 91 | 93.3 Ų | 93.3 | 48% | 0.476 | 46% | 0.455 | S | S | . | . | trans | -113.6 | 85.4 | -179.5 | -74.8 | 158.7 | 0 | 0 | 0 | 111.4 | L1342 H1347 F1348 | L1342-L1345 HydrophobicContact CD2-CD1 4.09Å; L1345-H1347 PolarHBondContact O-N 3.39Å; L1345-F1348 WeakPolarHBondContact O-CB 3.45Å; L1345-F1348 PolarHBondContact O-N 2.91Å | ||
| 1346 | L | 52.7 | Low | 52.3 | Low | 59 Ų | 59 | 94.8 Ų | 94.8 | 31% | 0.309 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -43.4 | -30.2 | 169.8 | -89.7 | 133.9 | 0 | 0 | 0 | 114 | F1348 H1349 R1350 Q1401 V1405 | L1346-F1348 PolarHBondContact O-N 3.38Å; L1346-H1349 PolarHBondContact O-N 3.46Å; L1346-R1350 PolarHBondContact O-N 2.77Å; L1346-Q1401 HydrophobicContact CD2-CB 3.6Å; L1346-Q1401 HydrophobicContact CD2-CG 4.3Å; L1346-Q1401 VanDerWaalsContact CD2-OE1 3.25Å; L1346-V1405 HydrophobicContact CD1-CG2 4.06Å |
| 1347 | H | 54.9 | Low | 54.5 | Low | 82 Ų | 82 | 93.8 Ų | 93.8 | 38% | 0.38 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -56.4 | -45.3 | 173.3 | -74 | -73 | 0 | 0 | 0 | 113.7 | L1345 L1351 Y1402 | L1345-H1347 PolarHBondContact O-N 3.39Å; H1347-L1351 PolarHBondContact O-N 3.01Å; H1347-L1351 VanDerWaalsContact O-N 3.15Å; H1347-Y1402 AromaticContact CE1-CD2 3.78Å; H1347-Y1402 AromaticContact CE1-CE2 3.28Å; H1347-Y1402 WeakPolarHBondContact CE1-CE2 3.34Å |
| 1348 | F | 60.7 | Low | 56.6 | Low | 123 Ų | 123 | 93.5 Ų | 93.5 | 54% | 0.539 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68 | -40.9 | -177.1 | -174.3 | -99.6 | 0 | 0 | 0 | 110.8 | L1345 L1346 R1350 L1351 A1352 | L1345-F1348 WeakPolarHBondContact O-CB 3.45Å; L1345-F1348 PolarHBondContact O-N 2.91Å; L1346-F1348 PolarHBondContact O-N 3.38Å; F1348-R1350 PolarHBondContact O-N 3.22Å; F1348-L1351 PolarHBondContact O-N 3.2Å; F1348-A1352 HydrophobicContact CD1-CB 4.42Å; F1348-A1352 HydrophobicContact CE1-CB 4.25Å; F1348-A1352 WeakPolarHBondContact O-CB 3.41Å; F1348-A1352 PolarHBondContact O-N 3.03Å |
| 1349 | H | 64.8 | Low | 58.8 | Low | 65 Ų | 65 | 89.9 Ų | 89.9 | 30% | 0.301 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 178.8 | -69.4 | 84.6 | 0 | 0 | 0 | 112.5 | L1346 N1353 | L1346-H1349 PolarHBondContact O-N 3.46Å; H1349-N1353 WeakPolarHBondContact O-CB 3.32Å; H1349-N1353 PolarHBondContact O-N 3.34Å |
| 1350 | R | 66.6 | Low | 61.1 | Low | 120 Ų | 120 | 92.8 Ų | 92.8 | 45% | 0.453 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.5 | -48.4 | 175 | -176.1 | -176.5 | 178.1 | -140.6 | -3.3 | 111.9 | L1346 F1348 F1354 C1398 N1399 | L1346-R1350 PolarHBondContact O-N 2.77Å; F1348-R1350 PolarHBondContact O-N 3.22Å; R1350-F1354 WeakPolarHBondContact O-CB 3.36Å; R1350-F1354 PolarHBondContact O-N 3.15Å; R1350-C1398 HydrophobicContact CB-CB 4.37Å; R1350-N1399 PolarHBondContact NE-OD1 3.44Å; R1350-N1399 PolarHBondContact NH2-OD1 3.48Å |
| 1351 | L | 68.2 | Low | 63.7 | Low | 108 Ų | 108 | 96.1 Ų | 96.1 | 57% | 0.565 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64.8 | -40.4 | 178.5 | -84.2 | 156.7 | 0 | 0 | 0 | 111.9 | H1347 F1348 F1354 S1355 | H1347-L1351 PolarHBondContact O-N 3.01Å; H1347-L1351 VanDerWaalsContact O-N 3.15Å; F1348-L1351 PolarHBondContact O-N 3.2Å; L1351-F1354 PolarHBondContact O-N 3.44Å; L1351-S1355 VanDerWaalsContact O-CB 3.27Å; L1351-S1355 WeakPolarHBondContact O-CB 3.45Å; L1351-S1355 PolarHBondContact O-N 3.3Å; L1351-S1355 PolarHBondContact O-OG 2.83Å |
| 1352 | A | 68.1 | Low | 66.1 | Low | 39 Ų | 39 | 91.7 Ų | 91.7 | 32% | 0.322 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.6 | -46.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | F1348 S1355 Y1356 | F1348-A1352 HydrophobicContact CD1-CB 4.42Å; F1348-A1352 HydrophobicContact CE1-CB 4.25Å; F1348-A1352 WeakPolarHBondContact O-CB 3.41Å; F1348-A1352 PolarHBondContact O-N 3.03Å; A1352-S1355 PolarHBondContact O-N 2.84Å; A1352-Y1356 WeakPolarHBondContact O-CB 3.11Å; A1352-Y1356 PolarHBondContact O-N 3.4Å |
| 1353 | N | 71.5 | Confident | 68.6 | Low | 31 Ų | 31 | 88.2 Ų | 88.2 | 17% | 0.166 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64 | -41.6 | 175.6 | -171.7 | 23.9 | 0 | 0 | 0 | 111.8 | H1349 Y1356 R1357 | H1349-N1353 WeakPolarHBondContact O-CB 3.32Å; H1349-N1353 PolarHBondContact O-N 3.34Å; N1353-Y1356 PolarHBondContact O-N 3.3Å; N1353-R1357 WeakPolarHBondContact O-CB 3.45Å; N1353-R1357 WeakPolarHBondContact O-CG 3.37Å; N1353-R1357 PolarHBondContact O-N 2.88Å |
| 1354 | F | 72.2 | Confident | 70.8 | Confident | 143 Ų | 143 | 83.1 Ų | 83.1 | 63% | 0.627 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.9 | -44.2 | 174.8 | -180 | -97.8 | 0 | 0 | 0 | 111.9 | R1350 L1351 R1357 S1358 | R1350-F1354 WeakPolarHBondContact O-CB 3.36Å; R1350-F1354 PolarHBondContact O-N 3.15Å; L1351-F1354 PolarHBondContact O-N 3.44Å; F1354-R1357 PolarHBondContact O-N 3.23Å; F1354-S1358 WeakPolarHBondContact O-CB 3.39Å; F1354-S1358 PolarHBondContact O-N 2.9Å; F1354-S1358 PolarHBondContact O-OG 3.22Å |
| 1355 | S | 70.9 | Confident | 72.7 | Confident | 66 Ų | 66 | 80.1 Ų | 80.1 | 46% | 0.462 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.6 | -43.9 | 179 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | L1351 A1352 R1357 S1358 V1359 | L1351-S1355 VanDerWaalsContact O-CB 3.27Å; L1351-S1355 WeakPolarHBondContact O-CB 3.45Å; L1351-S1355 PolarHBondContact O-N 3.3Å; L1351-S1355 PolarHBondContact O-OG 2.83Å; A1352-S1355 PolarHBondContact O-N 2.84Å; S1355-R1357 PolarHBondContact O-N 2.65Å; S1355-S1358 WeakPolarHBondContact O-CB 3.4Å; S1355-S1358 PolarHBondContact O-N 3.48Å; S1355-S1358 VanDerWaalsContact O-N 3.11Å; S1355-V1359 PolarHBondContact O-N 3.01Å |
| 1356 | Y | 77.5 | Confident | 74.6 | Confident | 61 Ų | 61 | 81 Ų | 81 | 24% | 0.239 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -58.2 | -44.5 | 176.9 | 172.7 | -111.4 | 0 | 0 | 0 | 112.1 | A1352 N1353 S1358 V1359 L1362 Y1363 R1366 | A1352-Y1356 WeakPolarHBondContact O-CB 3.11Å; A1352-Y1356 PolarHBondContact O-N 3.4Å; N1353-Y1356 PolarHBondContact O-N 3.3Å; Y1356-S1358 VanDerWaalsContact C-N 3.32Å; Y1356-S1358 PolarHBondContact O-N 3.45Å; Y1356-V1359 PolarHBondContact O-N 3.2Å; Y1356-L1362 HydrophobicContact CD2-CD2 3.75Å; Y1356-L1362 HydrophobicContact CD2-CG 4.43Å; Y1356-L1362 HydrophobicContact CE2-CD2 3.55Å; Y1356-L1362 HydrophobicContact CE2-CG 3.79Å; Y1356-Y1363 AromaticContact CE1-CD2 3.95Å; Y1356-Y1363 HydrophobicContact CE1-CD2 3.95Å; Y1356-R1366 WeakPolarHBondContact OH-CD 3.19Å |
| 1357 | R | 80.6 | Confident | 76.3 | Confident | 87 Ų | 87 | 78.3 Ų | 78.3 | 33% | 0.328 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -75.4 | -18.1 | 176.8 | -67.2 | 178 | 66.5 | -170.9 | 2.6 | 114 | N1353 F1354 S1355 Y1363 | N1353-R1357 WeakPolarHBondContact O-CB 3.45Å; N1353-R1357 WeakPolarHBondContact O-CG 3.37Å; N1353-R1357 PolarHBondContact O-N 2.88Å; F1354-R1357 PolarHBondContact O-N 3.23Å; S1355-R1357 PolarHBondContact O-N 2.65Å; R1357-Y1363 HydrophobicContact CG-CD2 4.4Å |
| 1358 | S | 78.7 | Confident | 78 | Confident | 68 Ų | 68 | 77.6 Ų | 77.6 | 48% | 0.476 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -79.5 | -18.6 | 176.7 | -61.7 | 0 | 0 | 0 | 0 | 112.8 | F1354 S1355 Y1356 | F1354-S1358 WeakPolarHBondContact O-CB 3.39Å; F1354-S1358 PolarHBondContact O-N 2.9Å; F1354-S1358 PolarHBondContact O-OG 3.22Å; S1355-S1358 WeakPolarHBondContact O-CB 3.4Å; S1355-S1358 PolarHBondContact O-N 3.48Å; S1355-S1358 VanDerWaalsContact O-N 3.11Å; Y1356-S1358 VanDerWaalsContact C-N 3.32Å; Y1356-S1358 PolarHBondContact O-N 3.45Å |
| 1359 | V | 81.5 | Confident | 79.4 | Confident | 49 Ų | 49 | 72.4 Ų | 72.4 | 30% | 0.297 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -71 | 119.9 | 176.2 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | S1355 Y1356 F1361 L1362 | S1355-V1359 PolarHBondContact O-N 3.01Å; Y1356-V1359 PolarHBondContact O-N 3.2Å; V1359-F1361 PolarHBondContact O-N 2.89Å; V1359-L1362 HydrophobicContact CB-CB 3.96Å; V1359-L1362 HydrophobicContact CB-CD2 4.07Å; V1359-L1362 HydrophobicContact CG1-CB 3.75Å; V1359-L1362 HydrophobicContact CG1-CD2 4.07Å; V1359-L1362 HydrophobicContact CG2-CD2 4.39Å; V1359-L1362 PolarHBondContact O-N 2.97Å |
| 1360 | P | 82 | Confident | 80.5 | Confident | 101 Ų | 101 | 69.7 Ų | 69.7 | 66% | 0.656 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 140.1 | -176.9 | 26 | -34.3 | 0 | 0 | 0 | 110.7 | L1362 | P1360-L1362 PolarHBondContact O-N 3.35Š|
| 1361 | F | 84.5 | Confident | 81.8 | Confident | 170 Ų | 170 | 68 Ų | 68 | 75% | 0.746 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | -15.1 | -179.8 | -52.2 | -71.5 | 0 | 0 | 0 | 117.1 | V1359 E1364 L1365 | V1359-F1361 PolarHBondContact O-N 2.89Å; F1361-E1364 PolarHBondContact O-N 2.94Å; F1361-L1365 WeakPolarHBondContact O-CA 3.5Å; F1361-L1365 WeakPolarHBondContact O-CB 3.4Å; F1361-L1365 PolarHBondContact O-N 2.72Å |
| 1362 | L | 84 | Confident | 82.9 | Confident | 32 Ų | 32 | 67.5 Ų | 67.5 | 17% | 0.168 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66 | -45.6 | -174.6 | -179.1 | 62.6 | 0 | 0 | 0 | 112.8 | F1220 Y1356 V1359 P1360 R1366 | F1220-L1362 HydrophobicContact CE1-CD1 4.36Å; F1220-L1362 HydrophobicContact CE1-CD2 4.46Å; F1220-L1362 HydrophobicContact CE2-CD1 4.33Å; F1220-L1362 HydrophobicContact CZ-CD1 3.56Å; F1220-L1362 HydrophobicContact CZ-CD2 4.36Å; Y1356-L1362 HydrophobicContact CD2-CD2 3.75Å; Y1356-L1362 HydrophobicContact CD2-CG 4.43Å; Y1356-L1362 HydrophobicContact CE2-CD2 3.55Å; Y1356-L1362 HydrophobicContact CE2-CG 3.79Å; V1359-L1362 HydrophobicContact CB-CB 3.96Å; V1359-L1362 HydrophobicContact CB-CD2 4.07Å; V1359-L1362 HydrophobicContact CG1-CB 3.75Å; V1359-L1362 HydrophobicContact CG1-CD2 4.07Å; V1359-L1362 HydrophobicContact CG2-CD2 4.39Å; V1359-L1362 PolarHBondContact O-N 2.97Å; P1360-L1362 PolarHBondContact O-N 3.35Å; L1362-R1366 WeakPolarHBondContact O-CB 3.35Å; L1362-R1366 PolarHBondContact O-N 2.98Å |
| 1363 | Y | 85.8 | Confident | 83.9 | Confident | 25 Ų | 25 | 69.9 Ų | 69.9 | 10% | 0.098 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.9 | -50 | 176.5 | 179.3 | -105.8 | 0 | 0 | 0 | 111 | Y1356 R1357 L1365 R1366 T1367 E1387 N1388 A1391 | Y1356-Y1363 AromaticContact CE1-CD2 3.95Å; Y1356-Y1363 HydrophobicContact CE1-CD2 3.95Å; R1357-Y1363 HydrophobicContact CG-CD2 4.4Å; Y1363-L1365 PolarHBondContact O-N 2.53Å; Y1363-R1366 WeakPolarHBondContact O-CB 3.38Å; Y1363-R1366 PolarHBondContact O-N 2.94Å; Y1363-T1367 PolarHBondContact O-N 2.9Å; Y1363-T1367 PolarHBondContact O-OG1 3Å; Y1363-E1387 VanDerWaalsContact OH-C 3.31Å; Y1363-E1387 PolarHBondContact OH-O 3.41Å; Y1363-E1387 VanDerWaalsContact OH-O 3.11Å; Y1363-N1388 WeakPolarHBondContact CE1-OD1 3.34Å; Y1363-N1388 PolarHBondContact OH-OD1 2.9Å; Y1363-A1391 HydrophobicContact CE2-CB 4.35Å |
| 1364 | E | 86.9 | Confident | 84.6 | Confident | 88 Ų | 88 | 70.6 Ų | 70.6 | 41% | 0.411 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | -180 | -55.9 | -57.7 | 158.1 | 0 | 0 | 112.4 | F1361 R1366 T1367 L1368 | F1361-E1364 PolarHBondContact O-N 2.94Å; E1364-R1366 VanDerWaalsContact C-N 3.34Å; E1364-R1366 PolarHBondContact O-N 3.36Å; E1364-T1367 PolarHBondContact O-N 3.35Å; E1364-L1368 WeakPolarHBondContact O-CB 3.28Å; E1364-L1368 VanDerWaalsContact O-CG 3.28Å; E1364-L1368 WeakPolarHBondContact O-CG 2.89Å; E1364-L1368 PolarHBondContact O-N 2.93Å |
| 1365 | L | 86.6 | Confident | 85.5 | Confident | 75 Ų | 75 | 69.1 Ų | 69.1 | 39% | 0.393 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.5 | -40 | 178.1 | -174.7 | 70.6 | 0 | 0 | 0 | 110.7 | V1271 F1361 Y1363 L1368 I1369 | V1271-L1365 HydrophobicContact CG2-CD2 4.45Å; F1361-L1365 WeakPolarHBondContact O-CA 3.5Å; F1361-L1365 WeakPolarHBondContact O-CB 3.4Å; F1361-L1365 PolarHBondContact O-N 2.72Å; Y1363-L1365 PolarHBondContact O-N 2.53Å; L1365-L1368 PolarHBondContact O-N 3.19Å; L1365-I1369 HydrophobicContact CD1-CD1 4.1Å; L1365-I1369 HydrophobicContact CD1-CG1 4.43Å; L1365-I1369 HydrophobicContact CD2-CD1 4.27Å; L1365-I1369 HydrophobicContact CG-CD1 3.7Å; L1365-I1369 HydrophobicContact CG-CG1 4.38Å; L1365-I1369 WeakPolarHBondContact O-CB 3.3Å; L1365-I1369 WeakPolarHBondContact O-CD1 3.22Å; L1365-I1369 WeakPolarHBondContact O-CG1 3Å; L1365-I1369 PolarHBondContact O-N 3.14Å |
| 1366 | R | 87.6 | Confident | 86.4 | Confident | 109 Ų | 109 | 67.5 Ų | 67.5 | 41% | 0.411 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.5 | -54.6 | 173.2 | 174.3 | -172.4 | 172.1 | 149.7 | -4 | 110.6 | Y1356 L1362 Y1363 E1364 L1368 I1369 D1370 | Y1356-R1366 WeakPolarHBondContact OH-CD 3.19Å; L1362-R1366 WeakPolarHBondContact O-CB 3.35Å; L1362-R1366 PolarHBondContact O-N 2.98Å; Y1363-R1366 WeakPolarHBondContact O-CB 3.38Å; Y1363-R1366 PolarHBondContact O-N 2.94Å; E1364-R1366 VanDerWaalsContact C-N 3.34Å; E1364-R1366 PolarHBondContact O-N 3.36Å; R1366-L1368 PolarHBondContact O-N 3.48Å; R1366-I1369 PolarHBondContact O-N 2.88Å; R1366-I1369 VanDerWaalsContact O-N 3.12Å; R1366-D1370 WeakPolarHBondContact CG-OD2 3.36Å; R1366-D1370 IonicContact CZ-OD2 3.75Å; R1366-D1370 IonicContact NE-OD2 3.06Å; R1366-D1370 PolarHBondContact NE-OD2 3.41Å; R1366-D1370 VanDerWaalsContact NE-OD2 3.1Å; R1366-D1370 IonicContact NH2-OD2 3.56Å; R1366-D1370 WeakPolarHBondContact O-CB 3.28Å; R1366-D1370 VanDerWaalsContact O-CG 3.31Å; R1366-D1370 PolarHBondContact O-N 3.47Å |
| 1367 | T | 88.8 | Confident | 86.9 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.018 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.9 | -39.5 | -177.4 | -60 | 0 | 0 | 0 | 0 | 111.4 | Y1363 E1364 W1371 Y1383 I1384 E1387 | Y1363-T1367 PolarHBondContact O-N 2.9Å; Y1363-T1367 PolarHBondContact O-OG1 3Å; E1364-T1367 PolarHBondContact O-N 3.35Å; T1367-W1371 WeakPolarHBondContact O-CB 3.21Å; T1367-W1371 PolarHBondContact O-N 2.96Å; T1367-Y1383 HydrophobicContact CG2-CD1 3.9Å; T1367-Y1383 HydrophobicContact CG2-CE1 3.96Å; T1367-I1384 HydrophobicContact CG2-CG1 3.83Å; T1367-E1387 HydrophobicContact CG2-CB 4.17Å; T1367-E1387 HydrophobicContact CG2-CG 4.06Å |
| 1368 | L | 91.2 | Very high | 87.3 | Confident | 67 Ų | 67 | 62.5 Ų | 62.5 | 35% | 0.351 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.7 | -46.3 | 174.5 | -73.5 | 167.7 | 0 | 0 | 0 | 112.6 | E1364 L1365 R1366 W1371 I1372 L1380 | E1364-L1368 WeakPolarHBondContact O-CB 3.28Å; E1364-L1368 VanDerWaalsContact O-CG 3.28Å; E1364-L1368 WeakPolarHBondContact O-CG 2.89Å; E1364-L1368 PolarHBondContact O-N 2.93Å; L1365-L1368 PolarHBondContact O-N 3.19Å; R1366-L1368 PolarHBondContact O-N 3.48Å; L1368-W1371 PolarHBondContact O-N 3.1Å; L1368-I1372 WeakPolarHBondContact O-CD1 3.45Å; L1368-I1372 WeakPolarHBondContact O-CG1 3.37Å; L1368-I1372 PolarHBondContact O-N 3.23Å; L1368-L1380 HydrophobicContact CD2-CD1 3.75Å; L1368-L1380 HydrophobicContact CD2-CD2 4.09Å |
| 1369 | I | 89.8 | Confident | 87.9 | Confident | 14 Ų | 14 | 61.8 Ų | 61.8 | 7% | 0.072 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 179.3 | -67.8 | 168 | 0 | 0 | 0 | 110.8 | V1271 R1274 L1278 L1365 R1366 I1372 W1373 | V1271-I1369 HydrophobicContact CB-CD1 4.43Å; V1271-I1369 HydrophobicContact CG1-CD1 4.02Å; V1271-I1369 HydrophobicContact CG1-CG1 4.48Å; V1271-I1369 HydrophobicContact CG2-CD1 4.1Å; R1274-I1369 HydrophobicContact CB-CG2 4.09Å; R1274-I1369 HydrophobicContact CG-CB 4.44Å; R1274-I1369 HydrophobicContact CG-CG2 3.48Å; R1274-I1369 VanDerWaalsContact CG-CG2 3.48Å; L1278-I1369 HydrophobicContact CD1-CG2 3.98Å; L1365-I1369 HydrophobicContact CD1-CD1 4.1Å; L1365-I1369 HydrophobicContact CD1-CG1 4.43Å; L1365-I1369 HydrophobicContact CD2-CD1 4.27Å; L1365-I1369 HydrophobicContact CG-CD1 3.7Å; L1365-I1369 HydrophobicContact CG-CG1 4.38Å; L1365-I1369 WeakPolarHBondContact O-CB 3.3Å; L1365-I1369 WeakPolarHBondContact O-CD1 3.22Å; L1365-I1369 WeakPolarHBondContact O-CG1 3Å; L1365-I1369 PolarHBondContact O-N 3.14Å; R1366-I1369 PolarHBondContact O-N 2.88Å; R1366-I1369 VanDerWaalsContact O-N 3.12Å; I1369-I1372 PolarHBondContact O-N 3.06Å; I1369-W1373 PolarHBondContact O-N 3.38Å |
| 1370 | D | 88.7 | Confident | 88.4 | Confident | 8 Ų | 8 | 61.3 Ų | 61.3 | 4% | 0.043 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63 | -43.5 | 178.1 | -68.7 | -6.3 | 0 | 0 | 0 | 110.1 | R1274 L1278 R1366 I1372 W1373 V1374 Y1383 | R1274-D1370 IonicContact CZ-OD1 2.59Å; R1274-D1370 VanDerWaalsContact CZ-OD1 3.29Å; R1274-D1370 IonicContact NE-OD1 3.51Å; R1274-D1370 PolarHBondContact NE-OD1 3.03Å; R1274-D1370 VanDerWaalsContact NH2-CG 3.31Å; R1274-D1370 IonicContact NH2-OD1 3.62Å; R1274-D1370 PolarHBondContact NH2-OD1 3.49Å; R1274-D1370 IonicContact NH2-OD2 3.04Å; R1274-D1370 PolarHBondContact NH2-OD2 3.46Å; L1278-D1370 WeakPolarHBondContact CD1-OD1 3.38Å; R1366-D1370 WeakPolarHBondContact CG-OD2 3.36Å; R1366-D1370 IonicContact CZ-OD2 3.75Å; R1366-D1370 IonicContact NE-OD2 3.06Å; R1366-D1370 PolarHBondContact NE-OD2 3.41Å; R1366-D1370 VanDerWaalsContact NE-OD2 3.1Å; R1366-D1370 IonicContact NH2-OD2 3.56Å; R1366-D1370 WeakPolarHBondContact O-CB 3.28Å; R1366-D1370 VanDerWaalsContact O-CG 3.31Å; R1366-D1370 PolarHBondContact O-N 3.47Å; D1370-I1372 PolarHBondContact O-N 2.8Å; D1370-W1373 PolarHBondContact O-N 3.02Å; D1370-V1374 WeakPolarHBondContact O-CB 3.27Å; D1370-V1374 WeakPolarHBondContact O-CG2 3.12Å; D1370-V1374 PolarHBondContact O-N 3.49Å; D1370-Y1383 WeakPolarHBondContact CB-OH 3.25Å |
| 1371 | W | 92.5 | Very high | 88.8 | Confident | 85 Ų | 85 | 64 Ų | 64 | 32% | 0.322 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.4 | -37.1 | 174.2 | 178.4 | 74.7 | 0 | 0 | 0 | 113.9 | T1367 L1368 M1378 L1380 Y1383 | T1367-W1371 WeakPolarHBondContact O-CB 3.21Å; T1367-W1371 PolarHBondContact O-N 2.96Å; L1368-W1371 PolarHBondContact O-N 3.1Å; W1371-M1378 PolarHBondContact NE1-O 3.1Å; W1371-L1380 HydrophobicContact CB-CD1 4.14Å; W1371-L1380 HydrophobicContact CD2-CB 3.92Å; W1371-L1380 HydrophobicContact CD2-CD1 3.56Å; W1371-L1380 HydrophobicContact CD2-CG 4.29Å; W1371-L1380 HydrophobicContact CE3-CB 4.2Å; W1371-L1380 HydrophobicContact CE3-CD1 3.63Å; W1371-L1380 HydrophobicContact CE3-CG 4.31Å; W1371-L1380 HydrophobicContact CG-CD1 3.77Å; W1371-L1380 HydrophobicContact CH2-CB 4Å; W1371-L1380 HydrophobicContact CZ2-CB 3.7Å; W1371-L1380 HydrophobicContact CZ3-CB 4.24Å; W1371-L1380 HydrophobicContact CZ3-CD1 4.29Å; W1371-L1380 HydrophobicContact CZ3-CD2 4.39Å; W1371-Y1383 HydrophobicContact CB-CD1 3.83Å; W1371-Y1383 HydrophobicContact CB-CD2 4.49Å; W1371-Y1383 HydrophobicContact CB-CE1 3.97Å; W1371-Y1383 HydrophobicContact CB-CG 4.11Å; W1371-Y1383 AromaticContact CD1-CD2 3.88Å; W1371-Y1383 AromaticContact CD1-CG 3.7Å; W1371-Y1383 HydrophobicContact CG-CD1 4.4Å; W1371-Y1383 HydrophobicContact CG-CG 4.24Å |
| 1372 | I | 91.7 | Very high | 89.2 | Confident | 97 Ų | 97 | 56.4 Ų | 56.4 | 50% | 0.497 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.9 | -35.9 | -178.9 | -70.5 | 163.8 | 0 | 0 | 0 | 112 | L1368 I1369 D1370 | L1368-I1372 WeakPolarHBondContact O-CD1 3.45Å; L1368-I1372 WeakPolarHBondContact O-CG1 3.37Å; L1368-I1372 PolarHBondContact O-N 3.23Å; I1369-I1372 PolarHBondContact O-N 3.06Å; D1370-I1372 PolarHBondContact O-N 2.8Å |
| 1373 | W | 89.1 | Confident | 89.6 | Confident | 89 Ų | 89 | 55.1 Ų | 55.1 | 34% | 0.337 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -110.5 | -18.3 | -170.6 | -57 | 113.2 | 0 | 0 | 0 | 115.2 | A1275 L1278 R1279 I1369 D1370 | A1275-W1373 HydrophobicContact CB-CD2 4.07Å; A1275-W1373 HydrophobicContact CB-CG 4.25Å; A1275-W1373 HydrophobicContact CB-CZ2 3.73Å; L1278-W1373 HydrophobicContact CB-CB 3.92Å; L1278-W1373 HydrophobicContact CD1-CB 3.9Å; L1278-W1373 HydrophobicContact CD1-CG 4.42Å; R1279-W1373 VanDerWaalsContact NE-CE3 3.26Å; I1369-W1373 PolarHBondContact O-N 3.38Å; D1370-W1373 PolarHBondContact O-N 3.02Å |
| 1374 | V | 87.2 | Confident | 89.9 | Confident | 45 Ų | 45 | 55.5 Ų | 55.5 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -84.6 | 132 | 173.2 | 178.2 | 0 | 0 | 0 | 0 | 109.3 | L1278 D1370 T1376 R1767 | L1278-V1374 HydrophobicContact CD2-CG2 4Å; D1370-V1374 WeakPolarHBondContact O-CB 3.27Å; D1370-V1374 WeakPolarHBondContact O-CG2 3.12Å; D1370-V1374 PolarHBondContact O-N 3.49Å; V1374-T1376 PolarHBondContact O-N 2.91Å; V1374-R1767 HydrophobicContact CG1-CG 4.25Å |
| 1375 | E | 89.6 | Confident | 90.1 | Very high | 113 Ų | 113 | 55 Ų | 55 | 53% | 0.528 | 27% | 0.268 | S | S | . | . | trans | -69.3 | 117.3 | 173.1 | -63.8 | 172.6 | -162.5 | 0 | 0 | 109.3 | K1770 F1772 | E1375-K1770 VanDerWaalsContact CD-NZ 3.33Å; E1375-K1770 IonicContact OE1-NZ 3.24Å; E1375-K1770 PolarHBondContact OE1-NZ 3.14Å; E1375-K1770 VanDerWaalsContact OE2-CE 3.26Å; E1375-K1770 WeakPolarHBondContact OE2-CE 3.19Å; E1375-K1770 IonicContact OE2-NZ 2.82Å; E1375-K1770 PolarHBondContact OE2-NZ 3.44Å; E1375-F1772 HydrophobicContact CB-CE1 4.45Å; E1375-F1772 HydrophobicContact CB-CZ 4.01Å; E1375-F1772 WeakPolarHBondContact O-CE1 3.49Å | ||
| 1376 | T | 90 | Very high | 90.2 | Very high | 32 Ų | 32 | 51.4 Ų | 51.4 | 20% | 0.196 | 25% | 0.249 | C | C | . | . | trans | -146.6 | 152.8 | 177.8 | 177 | 0 | 0 | 0 | 0 | 109.7 | V1374 M1378 Y1383 E1775 | V1374-T1376 PolarHBondContact O-N 2.91Å; T1376-M1378 PolarHBondContact OG1-N 3.33Å; T1376-M1378 VanDerWaalsContact OG1-N 3.17Å; T1376-Y1383 HydrophobicContact CG2-CD2 4.08Å; T1376-Y1383 HydrophobicContact CG2-CE2 4.33Å; T1376-E1775 PolarHBondContact OG1-OE1 3.3Å; T1376-E1775 PolarHBondContact OG1-OE2 3.29Å | ||
| 1377 | S | 88.5 | Confident | 90.4 | Very high | 38 Ų | 38 | 47.1 Ų | 47.1 | 27% | 0.266 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -85.4 | -12.1 | 172.8 | 59.7 | 0 | 0 | 0 | 0 | 113.9 | E1775 I1776 | S1377-E1775 PolarHBondContact N-OE2 3.04Å; S1377-E1775 PolarHBondContact OG-OE2 3.42Å; S1377-I1776 VanDerWaalsContact OG-CG1 3.24Å; S1377-I1776 WeakPolarHBondContact OG-CG1 3.33Å |
| 1378 | M | 88.9 | Confident | 90.4 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.02 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -78.7 | 135.9 | -176.5 | -59.7 | -167.8 | -166.5 | 0 | 0 | 112.1 | W1371 T1376 D1382 I1763 E1775 Y1779 | W1371-M1378 PolarHBondContact NE1-O 3.1Å; T1376-M1378 PolarHBondContact OG1-N 3.33Å; T1376-M1378 VanDerWaalsContact OG1-N 3.17Å; M1378-D1382 HydrophobicContact CB-CB 4.43Å; M1378-I1763 HydrophobicContact CE-CG2 3.64Å; M1378-E1775 HydrophobicContact CE-CG 3.52Å; M1378-Y1779 VanDerWaalsContact CE-CB 3.48Å; M1378-Y1779 HydrophobicContact CE-CD1 4.34Å; M1378-Y1779 HydrophobicContact CE-CD2 3.92Å; M1378-Y1779 HydrophobicContact CE-CG 3.66Å; M1378-Y1779 HydrophobicContact SD-CD1 4.29Å; M1378-Y1779 HydrophobicContact SD-CD2 4.08Å; M1378-Y1779 HydrophobicContact SD-CE2 4.41Å; M1378-Y1779 HydrophobicContact SD-CG 4.02Å |
| 1379 | P | 91.6 | Very high | 90.3 | Very high | 54 Ų | 54 | 47.8 Ų | 47.8 | 35% | 0.351 | 24% | 0.238 | S | C | . | . | trans | -66.8 | 156.8 | 168.3 | 30.4 | -32.9 | 0 | 0 | 0 | 110.6 | Y792 F1381 D1382 Y1383 | Y792-P1379 VanDerWaalsContact CE1-CD 3.47Å; Y792-P1379 HydrophobicContact CE1-CG 3.74Å; Y792-P1379 VanDerWaalsContact OH-CD 3.23Å; Y792-P1379 WeakPolarHBondContact OH-CD 3.46Å; P1379-F1381 VanDerWaalsContact C-N 3.31Å; P1379-F1381 PolarHBondContact O-N 3.27Å; P1379-F1381 VanDerWaalsContact O-N 3.13Å; P1379-D1382 HydrophobicContact CG-CB 3.97Å; P1379-D1382 WeakPolarHBondContact CG-OD2 3.24Å; P1379-D1382 PolarHBondContact O-N 3.13Å; P1379-Y1383 PolarHBondContact O-N 3.42Å | ||
| 1380 | L | 90.7 | Very high | 90.2 | Very high | 39 Ų | 39 | 49.3 Ų | 49.3 | 20% | 0.204 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -47.3 | -47.7 | -174.2 | 175.1 | 61.4 | 0 | 0 | 0 | 114 | L1368 W1371 D1382 Y1383 I1384 | L1368-L1380 HydrophobicContact CD2-CD1 3.75Å; L1368-L1380 HydrophobicContact CD2-CD2 4.09Å; W1371-L1380 HydrophobicContact CB-CD1 4.14Å; W1371-L1380 HydrophobicContact CD2-CB 3.92Å; W1371-L1380 HydrophobicContact CD2-CD1 3.56Å; W1371-L1380 HydrophobicContact CD2-CG 4.29Å; W1371-L1380 HydrophobicContact CE3-CB 4.2Å; W1371-L1380 HydrophobicContact CE3-CD1 3.63Å; W1371-L1380 HydrophobicContact CE3-CG 4.31Å; W1371-L1380 HydrophobicContact CG-CD1 3.77Å; W1371-L1380 HydrophobicContact CH2-CB 4Å; W1371-L1380 HydrophobicContact CZ2-CB 3.7Å; W1371-L1380 HydrophobicContact CZ3-CB 4.24Å; W1371-L1380 HydrophobicContact CZ3-CD1 4.29Å; W1371-L1380 HydrophobicContact CZ3-CD2 4.39Å; L1380-D1382 VanDerWaalsContact C-N 3.33Å; L1380-D1382 PolarHBondContact O-N 3.19Å; L1380-Y1383 WeakPolarHBondContact O-CB 3.27Å; L1380-Y1383 PolarHBondContact O-N 3.49Å; L1380-I1384 HydrophobicContact CD1-CD1 3.78Å; L1380-I1384 HydrophobicContact CD1-CG1 4.06Å; L1380-I1384 HydrophobicContact CG-CD1 3.85Å; L1380-I1384 HydrophobicContact CG-CG1 4.48Å; L1380-I1384 WeakPolarHBondContact O-CG1 3.4Å; L1380-I1384 PolarHBondContact O-N 3.39Å |
| 1381 | F | 91.6 | Very high | 90.1 | Very high | 156 Ų | 156 | 49.3 Ų | 49.3 | 68% | 0.684 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -68.3 | -32.5 | -176.8 | -67.3 | -67.1 | 0 | 0 | 0 | 113 | P1379 N1385 | P1379-F1381 VanDerWaalsContact C-N 3.31Å; P1379-F1381 PolarHBondContact O-N 3.27Å; P1379-F1381 VanDerWaalsContact O-N 3.13Å; F1381-N1385 WeakPolarHBondContact O-CB 3.35Å; F1381-N1385 PolarHBondContact O-N 3.11Å; F1381-N1385 PolarHBondContact O-ND2 3.41Å; F1381-N1385 VanDerWaalsContact O-ND2 3.12Å |
| 1382 | D | 92.2 | Very high | 89.7 | Confident | 11 Ų | 11 | 48.7 Ų | 48.7 | 6% | 0.059 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -74.7 | -35.1 | 175.2 | -77.7 | -36.5 | 0 | 0 | 0 | 111.7 | Y792 K796 M1378 P1379 L1380 N1385 M1386 Y1779 | Y792-D1382 PolarHBondContact OH-OD2 3.15Å; K796-D1382 WeakPolarHBondContact CE-OD1 3.38Å; K796-D1382 WeakPolarHBondContact CE-OD2 3.36Å; K796-D1382 IonicContact NZ-OD1 3.43Å; K796-D1382 PolarHBondContact NZ-OD1 3.3Å; K796-D1382 IonicContact NZ-OD2 3.05Å; K796-D1382 PolarHBondContact NZ-OD2 2.98Å; M1378-D1382 HydrophobicContact CB-CB 4.43Å; P1379-D1382 HydrophobicContact CG-CB 3.97Å; P1379-D1382 WeakPolarHBondContact CG-OD2 3.24Å; P1379-D1382 PolarHBondContact O-N 3.13Å; L1380-D1382 VanDerWaalsContact C-N 3.33Å; L1380-D1382 PolarHBondContact O-N 3.19Å; D1382-N1385 PolarHBondContact O-N 3.04Å; D1382-M1386 WeakPolarHBondContact O-CB 3.44Å; D1382-M1386 PolarHBondContact O-N 3.28Å; D1382-Y1779 WeakPolarHBondContact CA-OH 3.31Å; D1382-Y1779 HydrophobicContact CB-CE1 3.75Å; D1382-Y1779 WeakPolarHBondContact CB-OH 3.19Å; D1382-Y1779 PolarHBondContact O-OH 2.83Å; D1382-Y1779 PolarHBondContact OD1-OH 3.39Å |
| 1383 | Y | 92.3 | Very high | 89.5 | Confident | 5 Ų | 5 | 44.1 Ų | 44.1 | 2% | 0.02 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.2 | -49.2 | 170 | -169.7 | -83.3 | 0 | 0 | 0 | 111.9 | T1367 D1370 W1371 T1376 P1379 L1380 N1385 M1386 E1387 R1767 | T1367-Y1383 HydrophobicContact CG2-CD1 3.9Å; T1367-Y1383 HydrophobicContact CG2-CE1 3.96Å; D1370-Y1383 WeakPolarHBondContact CB-OH 3.25Å; W1371-Y1383 HydrophobicContact CB-CD1 3.83Å; W1371-Y1383 HydrophobicContact CB-CD2 4.49Å; W1371-Y1383 HydrophobicContact CB-CE1 3.97Å; W1371-Y1383 HydrophobicContact CB-CG 4.11Å; W1371-Y1383 AromaticContact CD1-CD2 3.88Å; W1371-Y1383 AromaticContact CD1-CG 3.7Å; W1371-Y1383 HydrophobicContact CG-CD1 4.4Å; W1371-Y1383 HydrophobicContact CG-CG 4.24Å; T1376-Y1383 HydrophobicContact CG2-CD2 4.08Å; T1376-Y1383 HydrophobicContact CG2-CE2 4.33Å; P1379-Y1383 PolarHBondContact O-N 3.42Å; L1380-Y1383 WeakPolarHBondContact O-CB 3.27Å; L1380-Y1383 PolarHBondContact O-N 3.49Å; Y1383-N1385 VanDerWaalsContact C-N 3.29Å; Y1383-N1385 PolarHBondContact O-N 3.24Å; Y1383-M1386 PolarHBondContact O-N 2.99Å; Y1383-E1387 HydrophobicContact CD1-CG 4.06Å; Y1383-E1387 HydrophobicContact CE1-CG 3.76Å; Y1383-E1387 WeakPolarHBondContact O-CG 3.4Å; Y1383-E1387 PolarHBondContact O-N 3.03Å; Y1383-R1767 VanDerWaalsContact CE2-CZ 3.45Å |
| 1384 | I | 92.8 | Very high | 89.2 | Confident | 34 Ų | 34 | 43.5 Ų | 43.5 | 17% | 0.174 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.2 | -41.2 | 175.5 | -70.4 | 168.6 | 0 | 0 | 0 | 110.8 | T1367 L1380 N1388 | T1367-I1384 HydrophobicContact CG2-CG1 3.83Å; L1380-I1384 HydrophobicContact CD1-CD1 3.78Å; L1380-I1384 HydrophobicContact CD1-CG1 4.06Å; L1380-I1384 HydrophobicContact CG-CD1 3.85Å; L1380-I1384 HydrophobicContact CG-CG1 4.48Å; L1380-I1384 WeakPolarHBondContact O-CG1 3.4Å; L1380-I1384 PolarHBondContact O-N 3.39Å; I1384-N1388 WeakPolarHBondContact CG2-ND2 3.38Å; I1384-N1388 VanDerWaalsContact O-CB 3.29Å; I1384-N1388 WeakPolarHBondContact O-CB 3.46Å; I1384-N1388 PolarHBondContact O-N 3.01Å; I1384-N1388 PolarHBondContact O-ND2 3.48Å |
| 1385 | N | 90.8 | Very high | 89 | Confident | 77 Ų | 77 | 42.9 Ų | 42.9 | 41% | 0.412 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.1 | -45.9 | 177.4 | -73.8 | -24.7 | 0 | 0 | 0 | 111.7 | F1381 D1382 Y1383 N1388 I1389 | F1381-N1385 WeakPolarHBondContact O-CB 3.35Å; F1381-N1385 PolarHBondContact O-N 3.11Å; F1381-N1385 PolarHBondContact O-ND2 3.41Å; F1381-N1385 VanDerWaalsContact O-ND2 3.12Å; D1382-N1385 PolarHBondContact O-N 3.04Å; Y1383-N1385 VanDerWaalsContact C-N 3.29Å; Y1383-N1385 PolarHBondContact O-N 3.24Å; N1385-N1388 PolarHBondContact O-N 3.04Å; N1385-I1389 WeakPolarHBondContact O-CB 3.19Å; N1385-I1389 WeakPolarHBondContact O-CD1 3.35Å; N1385-I1389 WeakPolarHBondContact O-CG1 3.34Å; N1385-I1389 PolarHBondContact O-N 3.45Å |
| 1386 | M | 89.7 | Confident | 88.7 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.5 | -47.8 | 177.5 | -174.2 | -79.4 | -169.3 | 0 | 0 | 111.4 | D1382 Y1383 N1388 I1389 F1390 I1763 F1764 Y1779 | D1382-M1386 WeakPolarHBondContact O-CB 3.44Å; D1382-M1386 PolarHBondContact O-N 3.28Å; Y1383-M1386 PolarHBondContact O-N 2.99Å; M1386-N1388 PolarHBondContact O-N 3.3Å; M1386-I1389 PolarHBondContact O-N 3.27Å; M1386-F1390 WeakPolarHBondContact O-CB 3.36Å; M1386-F1390 PolarHBondContact O-N 3.24Å; M1386-I1763 HydrophobicContact CE-CB 3.67Å; M1386-I1763 HydrophobicContact CE-CD1 4.45Å; M1386-I1763 HydrophobicContact CE-CG2 3.44Å; M1386-I1763 VanDerWaalsContact CE-CG2 3.44Å; M1386-F1764 HydrophobicContact CE-CD1 3.6Å; M1386-F1764 HydrophobicContact CE-CD2 4.09Å; M1386-F1764 HydrophobicContact CE-CE1 3.36Å; M1386-F1764 HydrophobicContact CE-CE2 3.89Å; M1386-F1764 HydrophobicContact CE-CG 3.95Å; M1386-F1764 HydrophobicContact CE-CZ 3.53Å; M1386-F1764 HydrophobicContact SD-CD1 4.43Å; M1386-F1764 HydrophobicContact SD-CE1 3.62Å; M1386-F1764 HydrophobicContact SD-CE2 4.43Å; M1386-F1764 HydrophobicContact SD-CZ 3.63Å; M1386-Y1779 HydrophobicContact CB-CD2 4.29Å; M1386-Y1779 HydrophobicContact CB-CE2 3.93Å; M1386-Y1779 HydrophobicContact CG-CD2 4.32Å; M1386-Y1779 HydrophobicContact CG-CE2 4.44Å |
| 1387 | E | 89.9 | Confident | 88.4 | Confident | 19 Ų | 19 | 37.6 Ų | 37.6 | 9% | 0.089 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63 | -41.5 | 176.9 | -74.8 | -68.5 | 162.5 | 0 | 0 | 112.6 | Y1363 T1367 Y1383 F1390 A1391 F1764 | Y1363-E1387 VanDerWaalsContact OH-C 3.31Å; Y1363-E1387 PolarHBondContact OH-O 3.41Å; Y1363-E1387 VanDerWaalsContact OH-O 3.11Å; T1367-E1387 HydrophobicContact CG2-CB 4.17Å; T1367-E1387 HydrophobicContact CG2-CG 4.06Å; Y1383-E1387 HydrophobicContact CD1-CG 4.06Å; Y1383-E1387 HydrophobicContact CE1-CG 3.76Å; Y1383-E1387 WeakPolarHBondContact O-CG 3.4Å; Y1383-E1387 PolarHBondContact O-N 3.03Å; E1387-F1390 PolarHBondContact O-N 3.01Å; E1387-A1391 WeakPolarHBondContact O-CB 3.45Å; E1387-A1391 PolarHBondContact O-N 3.29Å; E1387-F1764 VanDerWaalsContact OE1-CE1 3.22Å; E1387-F1764 WeakPolarHBondContact OE1-CE1 3.23Å; E1387-F1764 WeakPolarHBondContact OE1-CZ 3.24Å |
| 1388 | N | 89.4 | Confident | 87.9 | Confident | 58 Ų | 58 | 36.1 Ų | 36.1 | 31% | 0.31 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -65.3 | -41.6 | 176.6 | -84.6 | -37.9 | 0 | 0 | 0 | 112.2 | Y1363 I1384 N1385 M1386 R1392 | Y1363-N1388 WeakPolarHBondContact CE1-OD1 3.34Å; Y1363-N1388 PolarHBondContact OH-OD1 2.9Å; I1384-N1388 WeakPolarHBondContact CG2-ND2 3.38Å; I1384-N1388 VanDerWaalsContact O-CB 3.29Å; I1384-N1388 WeakPolarHBondContact O-CB 3.46Å; I1384-N1388 PolarHBondContact O-N 3.01Å; I1384-N1388 PolarHBondContact O-ND2 3.48Å; N1385-N1388 PolarHBondContact O-N 3.04Å; M1386-N1388 PolarHBondContact O-N 3.3Å; N1388-R1392 WeakPolarHBondContact O-CB 3.21Å; N1388-R1392 PolarHBondContact O-N 2.92Å |
| 1389 | I | 89.1 | Confident | 87.3 | Confident | 26 Ų | 26 | 38 Ų | 38 | 13% | 0.133 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.5 | -51.5 | 174.8 | -70 | 159 | 0 | 0 | 0 | 109.1 | N1385 M1386 A1391 R1392 V1393 L1782 I1783 L1786 | N1385-I1389 WeakPolarHBondContact O-CB 3.19Å; N1385-I1389 WeakPolarHBondContact O-CD1 3.35Å; N1385-I1389 WeakPolarHBondContact O-CG1 3.34Å; N1385-I1389 PolarHBondContact O-N 3.45Å; M1386-I1389 PolarHBondContact O-N 3.27Å; I1389-A1391 PolarHBondContact O-N 3.39Å; I1389-R1392 PolarHBondContact O-N 2.88Å; I1389-R1392 VanDerWaalsContact O-N 3.17Å; I1389-V1393 HydrophobicContact CG2-CG2 4.02Å; I1389-V1393 VanDerWaalsContact O-CB 3.31Å; I1389-V1393 WeakPolarHBondContact O-CB 3.46Å; I1389-V1393 WeakPolarHBondContact O-CG2 3.45Å; I1389-V1393 PolarHBondContact O-N 3.46Å; I1389-L1782 HydrophobicContact CD1-CD2 4.37Å; I1389-L1782 HydrophobicContact CG2-CD1 4.28Å; I1389-L1782 HydrophobicContact CG2-CD2 4.2Å; I1389-I1783 HydrophobicContact CD1-CD1 4.32Å; I1389-L1786 HydrophobicContact CB-CD1 4.44Å; I1389-L1786 HydrophobicContact CD1-CD1 3.37Å; I1389-L1786 HydrophobicContact CG1-CD1 3.68Å; I1389-L1786 HydrophobicContact CG2-CD1 3.86Å |
| 1390 | F | 89 | Confident | 86.7 | Confident | 45 Ų | 45 | 37.4 Ų | 37.4 | 20% | 0.197 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.8 | -49.5 | 178.5 | 174.3 | -103 | 0 | 0 | 0 | 111.9 | M1386 E1387 R1392 V1393 Y1394 L1757 C1760 L1761 F1764 | M1386-F1390 WeakPolarHBondContact O-CB 3.36Å; M1386-F1390 PolarHBondContact O-N 3.24Å; E1387-F1390 PolarHBondContact O-N 3.01Å; F1390-R1392 PolarHBondContact O-N 3.4Å; F1390-V1393 PolarHBondContact O-N 3.33Å; F1390-Y1394 VanDerWaalsContact O-CB 3.23Å; F1390-Y1394 WeakPolarHBondContact O-CB 3.42Å; F1390-Y1394 PolarHBondContact O-N 3.48Å; F1390-L1757 HydrophobicContact CD2-CD1 3.86Å; F1390-L1757 HydrophobicContact CE2-CD1 3.5Å; F1390-L1757 VanDerWaalsContact CE2-CD1 3.5Å; F1390-L1757 HydrophobicContact CZ-CD1 4.47Å; F1390-C1760 HydrophobicContact CB-CB 4.42Å; F1390-C1760 HydrophobicContact CD2-CB 3.73Å; F1390-L1761 HydrophobicContact CE2-CD2 4.12Å; F1390-F1764 HydrophobicContact CB-CE2 4.41Å; F1390-F1764 HydrophobicContact CB-CZ 4.49Å; F1390-F1764 HydrophobicContact CD1-CE2 4.03Å; F1390-F1764 HydrophobicContact CD1-CZ 4.27Å; F1390-F1764 AromaticContact CD2-CE2 3.77Å; F1390-F1764 HydrophobicContact CD2-CE2 3.77Å; F1390-F1764 HydrophobicContact CE1-CE2 4.22Å; F1390-F1764 AromaticContact CE2-CE2 3.95Å; F1390-F1764 HydrophobicContact CE2-CE2 3.95Å; F1390-F1764 AromaticContact CG-CE2 3.8Å; F1390-F1764 HydrophobicContact CG-CE2 3.8Å; F1390-F1764 HydrophobicContact CG-CZ 4.2Å; F1390-F1764 HydrophobicContact CZ-CE2 4.18Å |
| 1391 | A | 84.9 | Confident | 85.8 | Confident | 8 Ų | 8 | 38.4 Ų | 38.4 | 7% | 0.066 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.6 | -33.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y1363 E1387 I1389 S1395 | Y1363-A1391 HydrophobicContact CE2-CB 4.35Å; E1387-A1391 WeakPolarHBondContact O-CB 3.45Å; E1387-A1391 PolarHBondContact O-N 3.29Å; I1389-A1391 PolarHBondContact O-N 3.39Å; A1391-S1395 WeakPolarHBondContact O-CB 3.26Å; A1391-S1395 PolarHBondContact O-N 3.46Å |
| 1392 | R | 85.7 | Confident | 84.6 | Confident | 73 Ų | 73 | 34 Ų | 34 | 28% | 0.275 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -75.6 | -49.6 | 177.1 | -167.1 | 60 | 171.9 | -137.1 | 7.1 | 112.1 | N1388 I1389 F1390 Y1394 S1395 T1396 E1744 I1747 N1748 | N1388-R1392 WeakPolarHBondContact O-CB 3.21Å; N1388-R1392 PolarHBondContact O-N 2.92Å; I1389-R1392 PolarHBondContact O-N 2.88Å; I1389-R1392 VanDerWaalsContact O-N 3.17Å; F1390-R1392 PolarHBondContact O-N 3.4Å; R1392-Y1394 VanDerWaalsContact C-N 3.31Å; R1392-Y1394 PolarHBondContact O-N 3.16Å; R1392-S1395 WeakPolarHBondContact O-CB 3.25Å; R1392-S1395 PolarHBondContact O-N 3.04Å; R1392-S1395 VanDerWaalsContact O-N 3.16Å; R1392-T1396 PolarHBondContact O-N 3.13Å; R1392-T1396 PolarHBondContact O-OG1 3.15Å; R1392-E1744 IonicContact CZ-OE2 2.79Å; R1392-E1744 VanDerWaalsContact CZ-OE2 3.24Å; R1392-E1744 IonicContact NH1-OE2 3.09Å; R1392-E1744 PolarHBondContact NH1-OE2 3.28Å; R1392-E1744 IonicContact NH2-OE2 2.95Å; R1392-E1744 PolarHBondContact NH2-OE2 3.27Å; R1392-I1747 HydrophobicContact CB-CG2 4.44Å; R1392-I1747 HydrophobicContact CG-CG2 3.71Å; R1392-N1748 PolarHBondContact NE-OD1 3.44Å; R1392-N1748 PolarHBondContact NH2-ND2 2.76Å; R1392-N1748 PolarHBondContact NH2-OD1 2.82Å |
| 1393 | V | 85.9 | Confident | 83.5 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.3 | -47.1 | 176.4 | 165.5 | 0 | 0 | 0 | 0 | 110.1 | I1389 F1390 S1395 T1396 K1397 V1753 V1756 L1757 | I1389-V1393 HydrophobicContact CG2-CG2 4.02Å; I1389-V1393 VanDerWaalsContact O-CB 3.31Å; I1389-V1393 WeakPolarHBondContact O-CB 3.46Å; I1389-V1393 WeakPolarHBondContact O-CG2 3.45Å; I1389-V1393 PolarHBondContact O-N 3.46Å; F1390-V1393 PolarHBondContact O-N 3.33Å; V1393-S1395 PolarHBondContact O-N 3.28Å; V1393-T1396 PolarHBondContact O-N 2.98Å; V1393-K1397 PolarHBondContact O-N 3.49Å; V1393-V1753 HydrophobicContact CB-CG1 4.09Å; V1393-V1753 HydrophobicContact CG1-CG1 3.23Å; V1393-V1753 WeakPolarHBondContact O-CG1 3.48Å; V1393-V1756 HydrophobicContact CG1-CB 4.26Å; V1393-V1756 HydrophobicContact CG1-CG1 4.09Å; V1393-V1756 HydrophobicContact CG2-CG1 3.83Å; V1393-L1757 HydrophobicContact CG1-CB 3.91Å; V1393-L1757 HydrophobicContact CG1-CD1 4.15Å |
| 1394 | Y | 83.9 | Confident | 82 | Confident | 76 Ų | 76 | 43 Ų | 43 | 30% | 0.298 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.9 | -44.5 | 176.4 | -175 | -96.8 | 0 | 0 | 0 | 112.5 | F1390 R1392 T1396 K1397 C1398 L1757 | F1390-Y1394 VanDerWaalsContact O-CB 3.23Å; F1390-Y1394 WeakPolarHBondContact O-CB 3.42Å; F1390-Y1394 PolarHBondContact O-N 3.48Å; R1392-Y1394 VanDerWaalsContact C-N 3.31Å; R1392-Y1394 PolarHBondContact O-N 3.16Å; Y1394-T1396 VanDerWaalsContact C-N 3.28Å; Y1394-T1396 PolarHBondContact O-N 3.36Å; Y1394-K1397 WeakPolarHBondContact O-CB 3.36Å; Y1394-K1397 PolarHBondContact O-N 3.47Å; Y1394-K1397 VanDerWaalsContact O-N 3.17Å; Y1394-C1398 PolarHBondContact O-N 3.46Å; Y1394-C1398 PolarHBondContact O-SG 2.92Å; Y1394-C1398 VanDerWaalsContact O-SG 3.42Å; Y1394-L1757 HydrophobicContact CD2-CD1 4.39Å |
| 1395 | S | 83 | Confident | 80 | Confident | 32 Ų | 32 | 45.4 Ų | 45.4 | 22% | 0.224 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.8 | -37.8 | 174.8 | -175.1 | 0 | 0 | 0 | 0 | 112.3 | A1391 R1392 V1393 N1399 | A1391-S1395 WeakPolarHBondContact O-CB 3.26Å; A1391-S1395 PolarHBondContact O-N 3.46Å; R1392-S1395 WeakPolarHBondContact O-CB 3.25Å; R1392-S1395 PolarHBondContact O-N 3.04Å; R1392-S1395 VanDerWaalsContact O-N 3.16Å; V1393-S1395 PolarHBondContact O-N 3.28Å; S1395-N1399 PolarHBondContact O-N 3.34Å; S1395-N1399 VanDerWaalsContact O-N 3.15Å; S1395-N1399 PolarHBondContact O-ND2 3.17Å |
| 1396 | T | 83.6 | Confident | 77.9 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 3% | 0.025 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.4 | -42.5 | 175.1 | -54.1 | 0 | 0 | 0 | 0 | 110.6 | R1392 V1393 Y1394 C1398 N1399 R1400 N1748 V1753 | R1392-T1396 PolarHBondContact O-N 3.13Å; R1392-T1396 PolarHBondContact O-OG1 3.15Å; V1393-T1396 PolarHBondContact O-N 2.98Å; Y1394-T1396 VanDerWaalsContact C-N 3.28Å; Y1394-T1396 PolarHBondContact O-N 3.36Å; T1396-C1398 PolarHBondContact O-N 2.74Å; T1396-N1399 WeakPolarHBondContact O-CB 3.39Å; T1396-N1399 PolarHBondContact O-N 3.28Å; T1396-N1399 VanDerWaalsContact O-N 3.11Å; T1396-R1400 HydrophobicContact CG2-CG 4.32Å; T1396-R1400 WeakPolarHBondContact O-CG 3.33Å; T1396-R1400 PolarHBondContact O-N 2.98Å; T1396-N1748 WeakPolarHBondContact CG2-O 3.36Å; T1396-V1753 HydrophobicContact CG2-CG2 3.67Å |
| 1397 | K | 82.8 | Confident | 75.4 | Confident | 30 Ų | 30 | 48.4 Ų | 48.4 | 13% | 0.13 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.1 | -46.7 | 174.1 | 174.4 | 58.7 | 167.3 | 179.2 | 0 | 111.9 | V1393 Y1394 N1399 R1400 Q1401 V1753 D1754 L1757 | V1393-K1397 PolarHBondContact O-N 3.49Å; Y1394-K1397 WeakPolarHBondContact O-CB 3.36Å; Y1394-K1397 PolarHBondContact O-N 3.47Å; Y1394-K1397 VanDerWaalsContact O-N 3.17Å; K1397-N1399 VanDerWaalsContact C-N 3.32Å; K1397-N1399 PolarHBondContact O-N 3.02Å; K1397-R1400 PolarHBondContact O-N 3.32Å; K1397-Q1401 HydrophobicContact CD-CG 4.07Å; K1397-Q1401 VanDerWaalsContact CE-CD 3.5Å; K1397-Q1401 PolarHBondContact O-N 2.94Å; K1397-V1753 HydrophobicContact CB-CB 4.48Å; K1397-D1754 WeakPolarHBondContact CD-OD1 3.34Å; K1397-D1754 WeakPolarHBondContact CE-OD1 3.26Å; K1397-D1754 IonicContact NZ-OD1 2.75Å; K1397-D1754 PolarHBondContact NZ-OD1 2.92Å; K1397-D1754 IonicContact NZ-OD2 3.1Å; K1397-D1754 PolarHBondContact NZ-OD2 3.17Å; K1397-L1757 HydrophobicContact CB-CD2 4.46Å; K1397-L1757 HydrophobicContact CG-CD2 4.14Å |
| 1398 | C | 77.1 | Confident | 73.1 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.9 | -41.6 | 175.5 | -64.1 | 0 | 0 | 0 | 0 | 112.2 | R1350 Y1394 T1396 Y1402 | R1350-C1398 HydrophobicContact CB-CB 4.37Å; Y1394-C1398 PolarHBondContact O-N 3.46Å; Y1394-C1398 PolarHBondContact O-SG 2.92Å; Y1394-C1398 VanDerWaalsContact O-SG 3.42Å; T1396-C1398 PolarHBondContact O-N 2.74Å; C1398-Y1402 WeakPolarHBondContact O-CB 3.38Å; C1398-Y1402 PolarHBondContact O-N 2.91Å |
| 1399 | N | 78 | Confident | 70.7 | Confident | 45 Ų | 45 | 56.3 Ų | 56.3 | 24% | 0.241 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.9 | -41 | 175.9 | -68.6 | -24 | 0 | 0 | 0 | 111.7 | R1350 S1395 T1396 K1397 Y1402 E1403 | R1350-N1399 PolarHBondContact NE-OD1 3.44Å; R1350-N1399 PolarHBondContact NH2-OD1 3.48Å; S1395-N1399 PolarHBondContact O-N 3.34Å; S1395-N1399 VanDerWaalsContact O-N 3.15Å; S1395-N1399 PolarHBondContact O-ND2 3.17Å; T1396-N1399 WeakPolarHBondContact O-CB 3.39Å; T1396-N1399 PolarHBondContact O-N 3.28Å; T1396-N1399 VanDerWaalsContact O-N 3.11Å; K1397-N1399 VanDerWaalsContact C-N 3.32Å; K1397-N1399 PolarHBondContact O-N 3.02Å; N1399-Y1402 WeakPolarHBondContact O-CB 3.38Å; N1399-Y1402 PolarHBondContact O-N 2.84Å; N1399-E1403 WeakPolarHBondContact O-CG 3.38Å; N1399-E1403 PolarHBondContact O-N 3.48Å; N1399-E1403 VanDerWaalsContact O-N 3.15Å |
| 1400 | R | 79.3 | Confident | 68.5 | Low | 41 Ų | 41 | 58.1 Ų | 58.1 | 16% | 0.155 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -72.8 | -37 | 178.8 | -60.3 | -59.1 | 151.9 | -164.7 | 0.6 | 113.1 | T1396 K1397 Y1402 E1403 K1404 N1748 E1749 | T1396-R1400 HydrophobicContact CG2-CG 4.32Å; T1396-R1400 WeakPolarHBondContact O-CG 3.33Å; T1396-R1400 PolarHBondContact O-N 2.98Å; K1397-R1400 PolarHBondContact O-N 3.32Å; R1400-Y1402 VanDerWaalsContact C-N 3.32Å; R1400-E1403 WeakPolarHBondContact CD-OE2 3.34Å; R1400-E1403 IonicContact CZ-OE2 2.94Å; R1400-E1403 IonicContact NE-OE2 3.93Å; R1400-E1403 VanDerWaalsContact NH1-CD 3.34Å; R1400-E1403 IonicContact NH1-OE1 3.47Å; R1400-E1403 PolarHBondContact NH1-OE1 2.83Å; R1400-E1403 IonicContact NH1-OE2 3.92Å; R1400-E1403 PolarHBondContact NH1-OE2 3.17Å; R1400-E1403 PolarHBondContact O-N 3.45Å; R1400-K1404 WeakPolarHBondContact O-CB 3.43Å; R1400-K1404 WeakPolarHBondContact O-CG 3.39Å; R1400-K1404 PolarHBondContact O-N 3.48Å; R1400-N1748 PolarHBondContact NH2-O 3.24Å; R1400-E1749 IonicContact CZ-OE2 2.63Å; R1400-E1749 IonicContact NH1-OE2 2.62Å; R1400-E1749 IonicContact NH2-OE2 3.14Å; R1400-E1749 PolarHBondContact NH2-OE2 3.36Å |
| 1401 | Q | 70.4 | Confident | 66.2 | Low | 59 Ų | 59 | 64 Ų | 64 | 28% | 0.276 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 171.9 | -83.5 | 177.3 | -41.3 | 0 | 0 | 111.5 | L1346 K1397 E1403 K1404 V1405 | L1346-Q1401 HydrophobicContact CD2-CB 3.6Å; L1346-Q1401 HydrophobicContact CD2-CG 4.3Å; L1346-Q1401 VanDerWaalsContact CD2-OE1 3.25Å; K1397-Q1401 HydrophobicContact CD-CG 4.07Å; K1397-Q1401 VanDerWaalsContact CE-CD 3.5Å; K1397-Q1401 PolarHBondContact O-N 2.94Å; Q1401-E1403 PolarHBondContact O-N 3.05Å; Q1401-K1404 PolarHBondContact O-N 3.04Å; Q1401-K1404 VanDerWaalsContact O-N 3.17Å; Q1401-V1405 WeakPolarHBondContact O-CG2 3.42Å; Q1401-V1405 PolarHBondContact O-N 3.48Å |
| 1402 | Y | 67 | Low | 64.3 | Low | 65 Ų | 65 | 69.6 Ų | 69.6 | 26% | 0.255 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.1 | -32.2 | 173.2 | 174.5 | -112.8 | 0 | 0 | 0 | 112.8 | H1347 C1398 N1399 R1400 Y1423 | H1347-Y1402 AromaticContact CE1-CD2 3.78Å; H1347-Y1402 AromaticContact CE1-CE2 3.28Å; H1347-Y1402 WeakPolarHBondContact CE1-CE2 3.34Å; C1398-Y1402 WeakPolarHBondContact O-CB 3.38Å; C1398-Y1402 PolarHBondContact O-N 2.91Å; N1399-Y1402 WeakPolarHBondContact O-CB 3.38Å; N1399-Y1402 PolarHBondContact O-N 2.84Å; R1400-Y1402 VanDerWaalsContact C-N 3.32Å; Y1402-Y1423 HydrophobicContact CE1-CD1 4.41Å; Y1402-Y1423 HydrophobicContact CE1-CE1 4.26Å; Y1402-Y1423 HydrophobicContact CE2-CD1 4.26Å; Y1402-Y1423 HydrophobicContact CE2-CD2 4.27Å; Y1402-Y1423 HydrophobicContact CE2-CE1 4.2Å; Y1402-Y1423 HydrophobicContact CE2-CE2 4.15Å; Y1402-Y1423 HydrophobicContact CE2-CG 4.34Å; Y1402-Y1423 AromaticContact CZ-CD1 3.88Å; Y1402-Y1423 AromaticContact CZ-CE1 3.56Å; Y1402-Y1423 AromaticContact CZ-CZ 3.79Å; Y1402-Y1423 WeakPolarHBondContact OH-CE1 3.34Å; Y1402-Y1423 PolarHBondContact OH-OH 3.5Å |
| 1403 | E | 68.3 | Low | 62 | Low | 96 Ų | 96 | 73.8 Ų | 73.8 | 45% | 0.449 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -78 | -36.1 | 172.1 | -68.7 | 170.9 | 177.5 | 0 | 0 | 113.1 | N1399 R1400 Q1401 | N1399-E1403 WeakPolarHBondContact O-CG 3.38Å; N1399-E1403 PolarHBondContact O-N 3.48Å; N1399-E1403 VanDerWaalsContact O-N 3.15Å; R1400-E1403 WeakPolarHBondContact CD-OE2 3.34Å; R1400-E1403 IonicContact CZ-OE2 2.94Å; R1400-E1403 IonicContact NE-OE2 3.93Å; R1400-E1403 VanDerWaalsContact NH1-CD 3.34Å; R1400-E1403 IonicContact NH1-OE1 3.47Å; R1400-E1403 PolarHBondContact NH1-OE1 2.83Å; R1400-E1403 IonicContact NH1-OE2 3.92Å; R1400-E1403 PolarHBondContact NH1-OE2 3.17Å; R1400-E1403 PolarHBondContact O-N 3.45Å; Q1401-E1403 PolarHBondContact O-N 3.05Å |
| 1404 | K | 62 | Low | 59.9 | Low | 108 Ų | 108 | 78.7 Ų | 78.7 | 47% | 0.47 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -78.4 | -41.7 | -175.7 | -82.7 | -171.3 | 178.2 | -172 | 0 | 115.1 | R1400 Q1401 G1406 L1407 | R1400-K1404 WeakPolarHBondContact O-CB 3.43Å; R1400-K1404 WeakPolarHBondContact O-CG 3.39Å; R1400-K1404 PolarHBondContact O-N 3.48Å; Q1401-K1404 PolarHBondContact O-N 3.04Å; Q1401-K1404 VanDerWaalsContact O-N 3.17Å; K1404-G1406 PolarHBondContact O-N 3.42Å; K1404-L1407 WeakPolarHBondContact O-CB 3.46Å; K1404-L1407 PolarHBondContact O-N 3.23Å |
| 1405 | V | 50.9 | Low | 57.6 | Low | 85 Ų | 85 | 81.5 Ų | 81.5 | 52% | 0.515 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -24.2 | -175.4 | 165.8 | 0 | 0 | 0 | 0 | 111.7 | L1346 Q1401 L1407 | L1346-V1405 HydrophobicContact CD1-CG2 4.06Å; Q1401-V1405 WeakPolarHBondContact O-CG2 3.42Å; Q1401-V1405 PolarHBondContact O-N 3.48Å; V1405-L1407 VanDerWaalsContact C-N 3.28Å; V1405-L1407 PolarHBondContact O-N 3.35Å |
| 1406 | G | 46.1 | Very low | 55.1 | Low | 18 Ų | 18 | 86.6 Ų | 86.6 | 19% | 0.186 | 48% | 0.484 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -25.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 117 | K1404 Y1423 P1424 | K1404-G1406 PolarHBondContact O-N 3.42Å; G1406-Y1423 CarbonylContact C-O 3.5Å; G1406-Y1423 VanDerWaalsContact CA-C 3.41Å; G1406-Y1423 WeakPolarHBondContact CA-O 3.15Å; G1406-P1424 WeakPolarHBondContact O-CD 3.29Å |
| 1407 | L | 37.2 | Very low | 52.8 | Low | 122 Ų | 122 | 92.9 Ų | 92.9 | 64% | 0.639 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -21.3 | -167.5 | -145.4 | 140 | 0 | 0 | 0 | 112.4 | K1404 V1405 P1424 | K1404-L1407 WeakPolarHBondContact O-CB 3.46Å; K1404-L1407 PolarHBondContact O-N 3.23Å; V1405-L1407 VanDerWaalsContact C-N 3.28Å; V1405-L1407 PolarHBondContact O-N 3.35Å; L1407-P1424 HydrophobicContact CD1-CG 4.37Å; L1407-P1424 HydrophobicContact CG-CG 4.47Å |
| 1408 | A | 40.9 | Very low | 50.3 | Low | 90 Ų | 90 | 97.6 Ų | 97.6 | 74% | 0.744 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -10.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1409 | L | 40.4 | Very low | 48.1 | Very low | 152 Ų | 152 | 100.1 Ų | 100.1 | 80% | 0.796 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | 7.5 | 177.4 | -80.8 | 158.6 | 0 | 0 | 0 | 113.4 | ||
| 1410 | A | 41.2 | Very low | 46.1 | Very low | 65 Ų | 65 | 104.4 Ų | 104.4 | 54% | 0.537 | 59% | 0.59 | S | S | . | * | trans | -93 | -5.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | V1412 | A1410-V1412 PolarHBondContact O-N 3.16Å; A1410-V1412 VanDerWaalsContact O-N 3.14Å | ||
| 1411 | D | 41.8 | Very low | 44.3 | Very low | 169 Ų | 169 | 109.1 Ų | 109.1 | 90% | 0.904 | 61% | 0.614 | S | S | * | * | trans | -82.5 | 21.3 | -175.2 | -101.3 | -5.6 | 0 | 0 | 0 | 114.9 | ||||
| 1412 | V | 45.2 | Very low | 42.9 | Very low | 125 Ų | 125 | 112.2 Ų | 112.2 | 76% | 0.758 | 63% | 0.628 | S | S | * | * | trans | -124.6 | 86.7 | 175.9 | -170.5 | 0 | 0 | 0 | 0 | 110.2 | A1410 S1414 | A1410-V1412 PolarHBondContact O-N 3.16Å; A1410-V1412 VanDerWaalsContact O-N 3.14Å; V1412-S1414 PolarHBondContact O-N 3.48Å | ||
| 1413 | D | 36.8 | Very low | 42.1 | Very low | 161 Ų | 161 | 113.2 Ų | 113.2 | 86% | 0.861 | 63% | 0.632 | S | S | * | * | trans | -70 | 99.2 | 172.8 | -80.9 | -33.6 | 0 | 0 | 0 | 111.1 | ||||
| 1414 | S | 41.5 | Very low | 41.4 | Very low | 104 Ų | 104 | 111 Ų | 111 | 73% | 0.727 | 63% | 0.626 | S | S | * | * | trans | -176.3 | 111.3 | 147.7 | 33.2 | 0 | 0 | 0 | 0 | 115.9 | V1412 | V1412-S1414 PolarHBondContact O-N 3.48Š| ||
| 1415 | L | 35.3 | Very low | 41 | Very low | 134 Ų | 134 | 110.3 Ų | 110.3 | 70% | 0.702 | 63% | 0.631 | S | S | * | * | trans | 66.3 | 96.2 | 142.6 | -115.1 | 84.4 | 0 | 0 | 0 | 121.3 | ||||
| 1416 | D | 31.1 | Very low | 41.4 | Very low | 140 Ų | 140 | 108.7 Ų | 108.7 | 75% | 0.749 | 62% | 0.622 | S | S | * | * | trans | 45.1 | 102.5 | 137.3 | -61.2 | -27.1 | 0 | 0 | 0 | 119.5 | ||||
| 1417 | I | 34.6 | Very low | 42.2 | Very low | 136 Ų | 136 | 120.1 Ų | 120.1 | 70% | 0.697 | 66% | 0.659 | S | S | * | * | trans | -173.1 | 107.3 | 136.8 | -84.9 | 141 | 0 | 0 | 0 | 110.6 | ||||
| 1418 | V | 32.2 | Very low | 44 | Very low | 128 Ų | 128 | 118.4 Ų | 118.4 | 78% | 0.776 | 67% | 0.671 | S | S | * | * | trans | 34.5 | 80 | 152.9 | -163.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1419 | A | 30.8 | Very low | 45.4 | Very low | 60 Ų | 60 | 120.4 Ų | 120.4 | 50% | 0.496 | 66% | 0.663 | S | S | . | * | trans | -85 | 120.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E1422 | A1419-E1422 HydrophobicContact CB-CG 3.8Å; A1419-E1422 VanDerWaalsContact CB-OE1 3.23Å; A1419-E1422 WeakPolarHBondContact CB-OE1 3.38Å | ||
| 1420 | L | 35.2 | Very low | 47 | Very low | 135 Ų | 135 | 118.5 Ų | 118.5 | 71% | 0.707 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -99.7 | 123.1 | 154.6 | -96.2 | 163 | 0 | 0 | 0 | 107.2 | ||
| 1421 | Q | 41.2 | Very low | 48.4 | Very low | 140 Ų | 140 | 122.3 Ų | 122.3 | 65% | 0.654 | 66% | 0.664 | S | S | * | * | trans | 95.3 | 33.8 | 173.1 | -140.2 | 156.3 | -30.8 | 0 | 0 | 117.4 | Y1423 | Q1421-Y1423 VanDerWaalsContact C-N 3.3Å; Q1421-Y1423 HydrophobicContact CG-CD2 3.74Å; Q1421-Y1423 HydrophobicContact CG-CE2 3.29Å; Q1421-Y1423 PolarHBondContact O-N 2.98Å | ||
| 1422 | E | 40.4 | Very low | 49.9 | Very low | 123 Ų | 123 | 118.1 Ų | 118.1 | 58% | 0.575 | 65% | 0.645 | S | S | * | * | trans | -64.6 | 85.9 | 153.8 | -70.2 | 169.9 | -172.8 | 0 | 0 | 110 | A1419 | A1419-E1422 HydrophobicContact CB-CG 3.8Å; A1419-E1422 VanDerWaalsContact CB-OE1 3.23Å; A1419-E1422 WeakPolarHBondContact CB-OE1 3.38Å | ||
| 1423 | Y | 51.4 | Low | 51.5 | Low | 87 Ų | 87 | 119.6 Ų | 119.6 | 34% | 0.341 | 64% | 0.642 | S | S | . | * | P | Polyproline II helix | trans | -80.1 | 136.6 | 145.9 | -61.4 | -77.3 | 0 | 0 | 0 | 104.6 | Y1402 G1406 Q1421 | Y1402-Y1423 HydrophobicContact CE1-CD1 4.41Å; Y1402-Y1423 HydrophobicContact CE1-CE1 4.26Å; Y1402-Y1423 HydrophobicContact CE2-CD1 4.26Å; Y1402-Y1423 HydrophobicContact CE2-CD2 4.27Å; Y1402-Y1423 HydrophobicContact CE2-CE1 4.2Å; Y1402-Y1423 HydrophobicContact CE2-CE2 4.15Å; Y1402-Y1423 HydrophobicContact CE2-CG 4.34Å; Y1402-Y1423 AromaticContact CZ-CD1 3.88Å; Y1402-Y1423 AromaticContact CZ-CE1 3.56Å; Y1402-Y1423 AromaticContact CZ-CZ 3.79Å; Y1402-Y1423 WeakPolarHBondContact OH-CE1 3.34Å; Y1402-Y1423 PolarHBondContact OH-OH 3.5Å; G1406-Y1423 CarbonylContact C-O 3.5Å; G1406-Y1423 VanDerWaalsContact CA-C 3.41Å; G1406-Y1423 WeakPolarHBondContact CA-O 3.15Å; Q1421-Y1423 VanDerWaalsContact C-N 3.3Å; Q1421-Y1423 HydrophobicContact CG-CD2 3.74Å; Q1421-Y1423 HydrophobicContact CG-CE2 3.29Å; Q1421-Y1423 PolarHBondContact O-N 2.98Å |
| 1424 | P | 54.1 | Low | 53.2 | Low | 50 Ų | 50 | 114.8 Ų | 114.8 | 33% | 0.325 | 62% | 0.624 | S | S | . | * | S | Bend | cis | -73.7 | 151.8 | 2.9 | 34.6 | -40.3 | 0 | 0 | 0 | 112.4 | G1406 L1407 P1426 | G1406-P1424 WeakPolarHBondContact O-CD 3.29Å; L1407-P1424 HydrophobicContact CD1-CG 4.37Å; L1407-P1424 HydrophobicContact CG-CG 4.47Å; P1424-P1426 VanDerWaalsContact O-CD 3.24Å; P1424-P1426 WeakPolarHBondContact O-CD 3.09Å |
| 1425 | V | 53.3 | Low | 54.6 | Low | 92 Ų | 92 | 112.7 Ų | 112.7 | 56% | 0.558 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 117.9 | 172.4 | -172.5 | 0 | 0 | 0 | 0 | 108.1 | R1427 | V1425-R1427 PolarHBondContact O-N 3.19Š|
| 1426 | P | 59.2 | Low | 56.8 | Low | 51 Ų | 51 | 112.4 Ų | 112.4 | 33% | 0.331 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -59.4 | 141.4 | 176.1 | 24.1 | -34 | 0 | 0 | 0 | 109.7 | P1424 G1428 K1429 | P1424-P1426 VanDerWaalsContact O-CD 3.24Å; P1424-P1426 WeakPolarHBondContact O-CD 3.09Å; P1426-G1428 PolarHBondContact O-N 2.77Å; P1426-K1429 HydrophobicContact CG-CB 4.23Å; P1426-K1429 HydrophobicContact CG-CD 3.58Å; P1426-K1429 HydrophobicContact CG-CG 3.85Å; P1426-K1429 PolarHBondContact O-N 3.32Å |
| 1427 | R | 63.6 | Low | 59.4 | Low | 258 Ų | 258 | 112.6 Ų | 112.6 | 97% | 0.974 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | 128.6 | -178.5 | -69.7 | -177.3 | 173.8 | -176 | -0.3 | 109.9 | V1425 | V1425-R1427 PolarHBondContact O-N 3.19Š|
| 1428 | G | 74.9 | Confident | 61.3 | Low | 86 Ų | 86 | 108.5 Ų | 108.5 | 89% | 0.887 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89.5 | -5.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 117 | P1426 | P1426-G1428 PolarHBondContact O-N 2.77Š|
| 1429 | K | 68.9 | Low | 63.6 | Low | 133 Ų | 133 | 108.7 Ų | 108.7 | 58% | 0.578 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 136.1 | 174.6 | -71.7 | -162.2 | -171.1 | 169.9 | 0 | 112.1 | P1426 | P1426-K1429 HydrophobicContact CG-CB 4.23Å; P1426-K1429 HydrophobicContact CG-CD 3.58Å; P1426-K1429 HydrophobicContact CG-CG 3.85Å; P1426-K1429 PolarHBondContact O-N 3.32Å |
| 1430 | P | 74.5 | Confident | 66.2 | Low | 111 Ų | 111 | 107.6 Ų | 107.6 | 72% | 0.721 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 144.5 | 176 | 29 | -34.2 | 0 | 0 | 0 | 111.4 | ||
| 1431 | K | 70.6 | Confident | 68.8 | Low | 146 Ų | 146 | 105.1 Ų | 105.1 | 64% | 0.635 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 138.7 | 171.3 | -68.7 | -171.1 | 175.7 | -175.3 | 0 | 110.9 | ||
| 1432 | T | 72.4 | Confident | 70.8 | Confident | 81 Ų | 81 | 101.9 Ų | 101.9 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 151.6 | 178.8 | 62.8 | 0 | 0 | 0 | 0 | 111.7 | A1434 V1435 K1436 | T1432-A1434 PolarHBondContact O-N 2.71Å; T1432-V1435 PolarHBondContact O-N 2.83Å; T1432-V1435 WeakPolarHBondContact OG1-CG2 3.36Å; T1432-K1436 PolarHBondContact O-N 3.19Å |
| 1433 | F | 79.4 | Confident | 72.8 | Confident | 156 Ų | 156 | 101.6 Ų | 101.6 | 68% | 0.684 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -59.3 | -34.7 | 177.6 | 72.5 | -88.9 | 0 | 0 | 0 | 111.7 | V1435 K1436 Y1437 | F1433-V1435 PolarHBondContact O-N 2.89Å; F1433-K1436 PolarHBondContact O-N 3.34Å; F1433-Y1437 HydrophobicContact CB-CD2 4.07Å; F1433-Y1437 HydrophobicContact CB-CE2 4Å; F1433-Y1437 HydrophobicContact CD2-CD2 4.02Å; F1433-Y1437 HydrophobicContact CD2-CE2 4.32Å; F1433-Y1437 WeakPolarHBondContact O-CD2 3.42Å; F1433-Y1437 PolarHBondContact O-N 3.26Å |
| 1434 | A | 72.3 | Confident | 74.6 | Confident | 60 Ų | 60 | 102.4 Ų | 102.4 | 50% | 0.496 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.6 | -44.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T1432 G1438 | T1432-A1434 PolarHBondContact O-N 2.71Å; A1434-G1438 WeakPolarHBondContact O-CA 3.48Å; A1434-G1438 PolarHBondContact O-N 2.91Å |
| 1435 | V | 72.2 | Confident | 76.2 | Confident | 60 Ų | 60 | 104.9 Ų | 104.9 | 36% | 0.364 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.1 | -40.4 | 177.7 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | T1432 F1433 M1439 | T1432-V1435 PolarHBondContact O-N 2.83Å; T1432-V1435 WeakPolarHBondContact OG1-CG2 3.36Å; F1433-V1435 PolarHBondContact O-N 2.89Å; V1435-M1439 HydrophobicContact CG1-SD 4.21Å; V1435-M1439 PolarHBondContact O-N 3.22Å; V1435-M1439 VanDerWaalsContact O-N 3.11Å |
| 1436 | K | 81.4 | Confident | 77.6 | Confident | 128 Ų | 128 | 106.3 Ų | 106.3 | 56% | 0.557 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.1 | -50.9 | 179.2 | -68.4 | -177.9 | 179.1 | -179 | 0 | 112 | T1432 F1433 G1440 | T1432-K1436 PolarHBondContact O-N 3.19Å; F1433-K1436 PolarHBondContact O-N 3.34Å; K1436-G1440 PolarHBondContact O-N 3.42Å |
| 1437 | Y | 84.7 | Confident | 78.8 | Confident | 143 Ų | 143 | 107.6 Ų | 107.6 | 56% | 0.561 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -71.9 | -37.9 | -179.9 | -69.4 | -58.5 | 0 | 0 | 0 | 112.2 | F1433 M1439 I1441 | F1433-Y1437 HydrophobicContact CB-CD2 4.07Å; F1433-Y1437 HydrophobicContact CB-CE2 4Å; F1433-Y1437 HydrophobicContact CD2-CD2 4.02Å; F1433-Y1437 HydrophobicContact CD2-CE2 4.32Å; F1433-Y1437 WeakPolarHBondContact O-CD2 3.42Å; F1433-Y1437 PolarHBondContact O-N 3.26Å; Y1437-M1439 PolarHBondContact O-N 2.56Å; Y1437-I1441 HydrophobicContact CD1-CD1 3.62Å; Y1437-I1441 HydrophobicContact CD1-CG1 4.03Å; Y1437-I1441 HydrophobicContact CG-CD1 4.12Å; Y1437-I1441 WeakPolarHBondContact O-CB 3.47Å; Y1437-I1441 PolarHBondContact O-N 3.11Å; Y1437-I1441 VanDerWaalsContact O-N 3.1Å |
| 1438 | G | 75.1 | Confident | 79.9 | Confident | 51 Ų | 51 | 98.9 Ų | 98.9 | 53% | 0.526 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.7 | -35.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A1434 P1442 | A1434-G1438 WeakPolarHBondContact O-CA 3.48Å; A1434-G1438 PolarHBondContact O-N 2.91Å; G1438-P1442 WeakPolarHBondContact O-CD 3.44Å; G1438-P1442 VanDerWaalsContact O-CG 3.29Å; G1438-P1442 WeakPolarHBondContact O-CG 3.46Å |
| 1439 | M | 80.1 | Confident | 80.3 | Confident | 132 Ų | 132 | 98.6 Ų | 98.6 | 65% | 0.65 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -90.2 | -37.8 | 175 | -64.5 | -176.5 | 75.3 | 0 | 0 | 113 | V1435 Y1437 I1443 | V1435-M1439 HydrophobicContact CG1-SD 4.21Å; V1435-M1439 PolarHBondContact O-N 3.22Å; V1435-M1439 VanDerWaalsContact O-N 3.11Å; Y1437-M1439 PolarHBondContact O-N 2.56Å; M1439-I1443 WeakPolarHBondContact O-CD1 3.15Å; M1439-I1443 WeakPolarHBondContact O-CG1 2.98Å |
| 1440 | G | 85.6 | Confident | 80.8 | Confident | 37 Ų | 37 | 95.7 Ų | 95.7 | 38% | 0.381 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -80.5 | -44.4 | -171 | 0 | 0 | 0 | 0 | 0 | 115.4 | K1436 I1443 L1444 | K1436-G1440 PolarHBondContact O-N 3.42Å; G1440-I1443 PolarHBondContact O-N 3.14Å; G1440-L1444 PolarHBondContact O-N 3.19Å |
| 1441 | I | 88.4 | Confident | 81.2 | Confident | 82 Ų | 82 | 93.4 Ų | 93.4 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -44.7 | -177 | -66.2 | 177.5 | 0 | 0 | 0 | 111.9 | Y1437 I1443 L1444 L1445 | Y1437-I1441 HydrophobicContact CD1-CD1 3.62Å; Y1437-I1441 HydrophobicContact CD1-CG1 4.03Å; Y1437-I1441 HydrophobicContact CG-CD1 4.12Å; Y1437-I1441 WeakPolarHBondContact O-CB 3.47Å; Y1437-I1441 PolarHBondContact O-N 3.11Å; Y1437-I1441 VanDerWaalsContact O-N 3.1Å; I1441-I1443 VanDerWaalsContact C-N 3.32Å; I1441-I1443 PolarHBondContact O-N 3.41Å; I1441-L1444 PolarHBondContact O-N 2.93Å; I1441-L1445 HydrophobicContact CG2-CD1 3.81Å; I1441-L1445 HydrophobicContact CG2-CG 4.19Å; I1441-L1445 WeakPolarHBondContact O-CG 3.31Å; I1441-L1445 PolarHBondContact O-N 3.36Å |
| 1442 | P | 83.9 | Confident | 81.9 | Confident | 72 Ų | 72 | 95.2 Ų | 95.2 | 47% | 0.468 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.5 | -39.6 | 179.6 | -26.2 | 36.7 | 0 | 0 | 0 | 113.2 | G1438 L1445 L1446 | G1438-P1442 WeakPolarHBondContact O-CD 3.44Å; G1438-P1442 VanDerWaalsContact O-CG 3.29Å; G1438-P1442 WeakPolarHBondContact O-CG 3.46Å; P1442-L1445 PolarHBondContact O-N 3.41Å; P1442-L1446 WeakPolarHBondContact O-CB 3.48Å; P1442-L1446 PolarHBondContact O-N 3.17Å |
| 1443 | I | 83.6 | Confident | 82.2 | Confident | 118 Ų | 118 | 96 Ų | 96 | 61% | 0.605 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.4 | -41.5 | 178.4 | -63.4 | 173.5 | 0 | 0 | 0 | 110.7 | M1439 G1440 I1441 L1446 L1447 | M1439-I1443 WeakPolarHBondContact O-CD1 3.15Å; M1439-I1443 WeakPolarHBondContact O-CG1 2.98Å; G1440-I1443 PolarHBondContact O-N 3.14Å; I1441-I1443 VanDerWaalsContact C-N 3.32Å; I1441-I1443 PolarHBondContact O-N 3.41Å; I1443-L1446 PolarHBondContact O-N 2.87Å; I1443-L1447 PolarHBondContact O-N 3.11Å |
| 1444 | L | 87.6 | Confident | 81.8 | Confident | 104 Ų | 104 | 90.6 Ų | 90.6 | 55% | 0.545 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 177.4 | -177.8 | 66.3 | 0 | 0 | 0 | 112 | G1440 I1441 L1446 L1447 I1448 | G1440-L1444 PolarHBondContact O-N 3.19Å; I1441-L1444 PolarHBondContact O-N 2.93Å; L1444-L1446 VanDerWaalsContact C-N 3.34Å; L1444-L1446 PolarHBondContact O-N 2.91Å; L1444-L1447 PolarHBondContact O-N 3.22Å; L1444-I1448 HydrophobicContact CD1-CD1 4.45Å; L1444-I1448 HydrophobicContact CG-CD1 4.17Å; L1444-I1448 WeakPolarHBondContact O-CG1 3.46Å; L1444-I1448 PolarHBondContact O-N 3.25Å; L1444-I1448 VanDerWaalsContact O-N 3.11Å |
| 1445 | L | 88.1 | Confident | 81.9 | Confident | 101 Ų | 101 | 92.2 Ų | 92.2 | 53% | 0.529 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 178 | -72.2 | 174.8 | 0 | 0 | 0 | 112 | I1441 P1442 L1447 I1448 T1449 | I1441-L1445 HydrophobicContact CG2-CD1 3.81Å; I1441-L1445 HydrophobicContact CG2-CG 4.19Å; I1441-L1445 WeakPolarHBondContact O-CG 3.31Å; I1441-L1445 PolarHBondContact O-N 3.36Å; P1442-L1445 PolarHBondContact O-N 3.41Å; L1445-L1447 VanDerWaalsContact C-N 3.33Å; L1445-L1447 PolarHBondContact O-N 3.15Å; L1445-I1448 PolarHBondContact O-N 3.48Å; L1445-T1449 WeakPolarHBondContact O-CB 3.29Å; L1445-T1449 PolarHBondContact O-N 3.42Å; L1445-T1449 PolarHBondContact O-OG1 2.98Å |
| 1446 | L | 82.6 | Confident | 82 | Confident | 123 Ų | 123 | 94.6 Ų | 94.6 | 64% | 0.644 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.1 | -44.7 | 175.5 | -175.4 | 74.3 | 0 | 0 | 0 | 111.3 | P1442 I1443 L1444 T1449 L1450 | P1442-L1446 WeakPolarHBondContact O-CB 3.48Å; P1442-L1446 PolarHBondContact O-N 3.17Å; I1443-L1446 PolarHBondContact O-N 2.87Å; L1444-L1446 VanDerWaalsContact C-N 3.34Å; L1444-L1446 PolarHBondContact O-N 2.91Å; L1446-T1449 PolarHBondContact O-N 3.35Å; L1446-L1450 PolarHBondContact O-N 3.07Å |
| 1447 | L | 84.3 | Confident | 81.4 | Confident | 77 Ų | 77 | 93.4 Ų | 93.4 | 40% | 0.403 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.8 | -41.9 | -179 | -171.6 | 138.9 | 0 | 0 | 0 | 112.5 | I1443 L1444 L1445 L1450 L1451 I1734 | I1443-L1447 PolarHBondContact O-N 3.11Å; L1444-L1447 PolarHBondContact O-N 3.22Å; L1445-L1447 VanDerWaalsContact C-N 3.33Å; L1445-L1447 PolarHBondContact O-N 3.15Å; L1447-L1450 PolarHBondContact O-N 3.22Å; L1447-L1451 HydrophobicContact CD2-CD1 3.9Å; L1447-L1451 PolarHBondContact O-N 3.04Å; L1447-I1734 HydrophobicContact CD1-CD1 4.11Å |
| 1448 | I | 87.3 | Confident | 80.5 | Confident | 76 Ų | 76 | 90.7 Ų | 90.7 | 39% | 0.39 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 175.6 | -66.7 | 169.1 | 0 | 0 | 0 | 110.5 | L1444 L1445 L1450 L1451 W1452 | L1444-I1448 HydrophobicContact CD1-CD1 4.45Å; L1444-I1448 HydrophobicContact CG-CD1 4.17Å; L1444-I1448 WeakPolarHBondContact O-CG1 3.46Å; L1444-I1448 PolarHBondContact O-N 3.25Å; L1444-I1448 VanDerWaalsContact O-N 3.11Å; L1445-I1448 PolarHBondContact O-N 3.48Å; I1448-L1450 VanDerWaalsContact C-N 3.34Å; I1448-L1450 PolarHBondContact O-N 2.88Å; I1448-L1451 PolarHBondContact O-N 3.16Å; I1448-W1452 PolarHBondContact O-N 3.14Å |
| 1449 | T | 82.9 | Confident | 80.3 | Confident | 79 Ų | 79 | 92.1 Ų | 92.1 | 49% | 0.485 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.6 | -42.8 | -179.6 | -53.7 | 0 | 0 | 0 | 0 | 111.3 | L1445 L1446 L1451 W1452 L1453 | L1445-T1449 WeakPolarHBondContact O-CB 3.29Å; L1445-T1449 PolarHBondContact O-N 3.42Å; L1445-T1449 PolarHBondContact O-OG1 2.98Å; L1446-T1449 PolarHBondContact O-N 3.35Å; T1449-L1451 VanDerWaalsContact C-N 3.3Å; T1449-L1451 PolarHBondContact O-N 3.45Å; T1449-W1452 PolarHBondContact O-N 3.03Å; T1449-L1453 WeakPolarHBondContact O-CB 3.45Å; T1449-L1453 PolarHBondContact O-N 3.37Å |
| 1450 | L | 80.5 | Confident | 79.7 | Confident | 72 Ų | 72 | 89.5 Ų | 89.5 | 38% | 0.377 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.8 | -33.2 | -179.8 | -151.8 | 155.7 | 0 | 0 | 0 | 112.3 | L1446 L1447 I1448 P1454 A1730 | L1446-L1450 PolarHBondContact O-N 3.07Å; L1447-L1450 PolarHBondContact O-N 3.22Å; I1448-L1450 VanDerWaalsContact C-N 3.34Å; I1448-L1450 PolarHBondContact O-N 2.88Å; L1450-P1454 WeakPolarHBondContact O-CD 3.43Å; L1450-A1730 HydrophobicContact CD1-CB 4.3Å; L1450-A1730 HydrophobicContact CD2-CB 3.5Å; L1450-A1730 VanDerWaalsContact CD2-CB 3.5Å |
| 1451 | L | 82.3 | Confident | 78.5 | Confident | 64 Ų | 64 | 90.9 Ų | 90.9 | 34% | 0.335 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -77.2 | -38.9 | 177.7 | -76.5 | 166.3 | 0 | 0 | 0 | 113.7 | L1447 I1448 T1449 Y1723 V1727 | L1447-L1451 HydrophobicContact CD2-CD1 3.9Å; L1447-L1451 PolarHBondContact O-N 3.04Å; I1448-L1451 PolarHBondContact O-N 3.16Å; T1449-L1451 VanDerWaalsContact C-N 3.3Å; T1449-L1451 PolarHBondContact O-N 3.45Å; L1451-Y1723 PolarHBondContact O-OH 3.44Å; L1451-V1727 HydrophobicContact CD2-CG1 3.82Å; L1451-V1727 HydrophobicContact CD2-CG2 4.28Å |
| 1452 | W | 84.4 | Confident | 77.1 | Confident | 183 Ų | 183 | 90.4 Ų | 90.4 | 69% | 0.693 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -92.9 | -32.1 | -172.2 | -84.7 | 33.7 | 0 | 0 | 0 | 114.6 | I1448 T1449 P1454 L1455 L1456 | I1448-W1452 PolarHBondContact O-N 3.14Å; T1449-W1452 PolarHBondContact O-N 3.03Å; W1452-P1454 VanDerWaalsContact C-CD 3.46Å; W1452-L1455 WeakPolarHBondContact O-CB 3.35Å; W1452-L1455 PolarHBondContact O-N 3.49Å; W1452-L1455 VanDerWaalsContact O-N 3.15Å; W1452-L1456 PolarHBondContact O-N 3.43Å; W1452-L1456 VanDerWaalsContact O-N 3.12Å |
| 1453 | L | 78.6 | Confident | 76.1 | Confident | 99 Ų | 99 | 91.7 Ų | 91.7 | 52% | 0.518 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -54.5 | -42.6 | -176.4 | -175.4 | 77.7 | 0 | 0 | 0 | 113.5 | T1449 L1455 L1456 L1457 | T1449-L1453 WeakPolarHBondContact O-CB 3.45Å; T1449-L1453 PolarHBondContact O-N 3.37Å; L1453-L1455 PolarHBondContact O-N 3.09Å; L1453-L1456 PolarHBondContact O-N 2.69Å; L1453-L1457 HydrophobicContact CG-CD1 4.21Å; L1453-L1457 PolarHBondContact O-N 3.12Å; L1453-L1457 VanDerWaalsContact O-N 3.08Å |
| 1454 | P | 71.3 | Confident | 75.1 | Confident | 41 Ų | 41 | 90.6 Ų | 90.6 | 27% | 0.266 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.6 | -34.3 | 179.6 | -20.6 | 34.1 | 0 | 0 | 0 | 113.8 | L1450 W1452 F1458 Y1723 | L1450-P1454 WeakPolarHBondContact O-CD 3.43Å; W1452-P1454 VanDerWaalsContact C-CD 3.46Å; P1454-F1458 PolarHBondContact O-N 2.71Å; P1454-F1458 VanDerWaalsContact O-N 3.11Å; P1454-Y1723 HydrophobicContact CB-CD2 3.79Å; P1454-Y1723 HydrophobicContact CB-CE2 4.09Å; P1454-Y1723 HydrophobicContact CG-CD2 4.28Å; P1454-Y1723 HydrophobicContact CG-CE2 4.28Å |
| 1455 | L | 74.6 | Confident | 74.1 | Confident | 95 Ų | 95 | 87.4 Ų | 87.4 | 50% | 0.497 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.5 | -40.2 | 176 | -90.1 | 145.4 | 0 | 0 | 0 | 111.2 | W1452 L1453 F1458 S1459 Y1723 | W1452-L1455 WeakPolarHBondContact O-CB 3.35Å; W1452-L1455 PolarHBondContact O-N 3.49Å; W1452-L1455 VanDerWaalsContact O-N 3.15Å; L1453-L1455 PolarHBondContact O-N 3.09Å; L1455-F1458 PolarHBondContact O-N 2.9Å; L1455-S1459 PolarHBondContact O-N 2.71Å; L1455-Y1723 HydrophobicContact CD1-CE2 4.22Å; L1455-Y1723 HydrophobicContact CG-CE2 4.45Å |
| 1456 | L | 74.9 | Confident | 73.3 | Confident | 110 Ų | 110 | 85.4 Ų | 85.4 | 58% | 0.576 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -65.9 | -45.7 | 179.2 | -133.8 | 160.6 | 0 | 0 | 0 | 110.9 | W1452 L1453 F1458 S1459 | W1452-L1456 PolarHBondContact O-N 3.43Å; W1452-L1456 VanDerWaalsContact O-N 3.12Å; L1453-L1456 PolarHBondContact O-N 2.69Å; L1456-F1458 VanDerWaalsContact C-N 3.29Å; L1456-F1458 PolarHBondContact O-N 3.24Å; L1456-S1459 PolarHBondContact O-N 3.24Å; L1456-S1459 PolarHBondContact O-OG 3.2Å |
| 1457 | L | 68 | Low | 72.8 | Confident | 103 Ų | 103 | 86.6 Ų | 86.6 | 54% | 0.539 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.5 | -31.1 | 175 | -74.9 | 168.4 | 0 | 0 | 0 | 113.2 | L1453 T1460 V1461 | L1453-L1457 HydrophobicContact CG-CD1 4.21Å; L1453-L1457 PolarHBondContact O-N 3.12Å; L1453-L1457 VanDerWaalsContact O-N 3.08Å; L1457-T1460 PolarHBondContact O-OG1 2.89Å; L1457-V1461 VanDerWaalsContact O-CG2 3.26Å; L1457-V1461 WeakPolarHBondContact O-CG2 3.4Å |
| 1458 | F | 66.3 | Low | 72.6 | Confident | 86 Ų | 86 | 83.7 Ų | 83.7 | 38% | 0.377 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70.8 | -39 | 177.5 | 175.5 | -111.4 | 0 | 0 | 0 | 112.9 | P1454 L1455 L1456 T1460 V1461 N1462 I1719 | P1454-F1458 PolarHBondContact O-N 2.71Å; P1454-F1458 VanDerWaalsContact O-N 3.11Å; L1455-F1458 PolarHBondContact O-N 2.9Å; L1456-F1458 VanDerWaalsContact C-N 3.29Å; L1456-F1458 PolarHBondContact O-N 3.24Å; F1458-T1460 PolarHBondContact O-N 3.16Å; F1458-V1461 PolarHBondContact O-N 3.3Å; F1458-N1462 WeakPolarHBondContact CE2-ND2 3.15Å; F1458-N1462 WeakPolarHBondContact CZ-ND2 2.88Å; F1458-I1719 HydrophobicContact CD2-CD1 4.01Å; F1458-I1719 HydrophobicContact CD2-CG2 3.89Å; F1458-I1719 HydrophobicContact CE2-CB 4.43Å; F1458-I1719 HydrophobicContact CE2-CD1 3.5Å; F1458-I1719 HydrophobicContact CE2-CG2 4.11Å |
| 1459 | S | 70.5 | Confident | 72.4 | Confident | 80 Ų | 80 | 84.2 Ų | 84.2 | 56% | 0.559 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -61.8 | -32 | -178.4 | 74.1 | 0 | 0 | 0 | 0 | 113.3 | L1455 L1456 | L1455-S1459 PolarHBondContact O-N 2.71Å; L1456-S1459 PolarHBondContact O-N 3.24Å; L1456-S1459 PolarHBondContact O-OG 3.2Å |
| 1460 | T | 68.9 | Low | 72.6 | Confident | 77 Ų | 77 | 80.8 Ų | 80.8 | 47% | 0.472 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -78.8 | -29.2 | -176.9 | 53.9 | 0 | 0 | 0 | 0 | 112.4 | L1457 F1458 S1463 | L1457-T1460 PolarHBondContact O-OG1 2.89Å; F1458-T1460 PolarHBondContact O-N 3.16Å; T1460-S1463 PolarHBondContact O-OG 3.25Å |
| 1461 | V | 59.9 | Low | 72.8 | Confident | 67 Ų | 67 | 82.5 Ų | 82.5 | 41% | 0.406 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -81.8 | -26.3 | -170.4 | 176 | 0 | 0 | 0 | 0 | 113.6 | L1457 F1458 S1463 L1711 | L1457-V1461 VanDerWaalsContact O-CG2 3.26Å; L1457-V1461 WeakPolarHBondContact O-CG2 3.4Å; F1458-V1461 PolarHBondContact O-N 3.3Å; V1461-S1463 VanDerWaalsContact C-N 3.28Å; V1461-S1463 PolarHBondContact O-N 3.46Å; V1461-L1711 HydrophobicContact CG1-CD1 3.74Å; V1461-L1711 HydrophobicContact CG1-CD2 3.96Å; V1461-L1711 HydrophobicContact CG1-CG 3.92Å |
| 1462 | N | 58.1 | Low | 73 | Confident | 72 Ų | 72 | 81.2 Ų | 81.2 | 39% | 0.385 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | -0.8 | -176.6 | -80.2 | -15.3 | 0 | 0 | 0 | 116.2 | F1458 | F1458-N1462 WeakPolarHBondContact CE2-ND2 3.15Å; F1458-N1462 WeakPolarHBondContact CZ-ND2 2.88Å |
| 1463 | S | 63.8 | Low | 73.3 | Confident | 99 Ų | 99 | 72.5 Ų | 72.5 | 69% | 0.692 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 3.3 | -168.5 | 61 | 0 | 0 | 0 | 0 | 116.1 | T1460 V1461 | T1460-S1463 PolarHBondContact O-OG 3.25Å; V1461-S1463 VanDerWaalsContact C-N 3.28Å; V1461-S1463 PolarHBondContact O-N 3.46Å |
| 1464 | I | 63.1 | Low | 73.9 | Confident | 94 Ų | 94 | 69.4 Ų | 69.4 | 48% | 0.482 | 38% | 0.378 | S | S | . | . | trans | -118.9 | 108.2 | -162 | -51.4 | 170.8 | 0 | 0 | 0 | 111.8 | F1707 | I1464-F1707 WeakPolarHBondContact O-CD1 3.32Š| ||
| 1465 | G | 66.4 | Low | 74.8 | Confident | 37 Ų | 37 | 67.4 Ų | 67.4 | 38% | 0.381 | 37% | 0.365 | S | S | . | . | trans | -122 | 130 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1466 | I | 71 | Confident | 75.6 | Confident | 60 Ų | 60 | 66.7 Ų | 66.7 | 31% | 0.308 | 36% | 0.358 | S | S | . | . | B | Isolated β-bridge | trans | -100.4 | 143.4 | -170.3 | -52.6 | 171.4 | 0 | 0 | 0 | 110.9 | R1705 V1706 P1708 | I1466-R1705 WeakPolarHBondContact O-CA 3.23Å; I1466-V1706 PolarHBondContact N-O 2.93Å; I1466-V1706 PolarHBondContact O-N 3.39Å; I1466-P1708 HydrophobicContact CD1-CB 4.22Å; I1466-P1708 HydrophobicContact CD1-CG 4.33Å |
| 1467 | R | 72.9 | Confident | 76.4 | Confident | 147 Ų | 147 | 61.5 Ų | 61.5 | 56% | 0.555 | 33% | 0.33 | S | S | * | . | trans | -89.7 | 129 | 176.4 | -62.2 | 179.7 | -127.4 | -168.7 | 2.6 | 110.6 | S1525 R1705 | R1467-S1525 PolarHBondContact NH1-OG 2.94Å; R1467-R1705 HydrophobicContact CG-CG 4.17Å | ||
| 1468 | Q | 78.6 | Confident | 77.5 | Confident | 17 Ų | 17 | 57.8 Ų | 57.8 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | trans | -133.2 | 106.5 | 175.3 | -72 | 177.4 | -7.1 | 0 | 0 | 109.6 | ||||
| 1469 | L | 83.2 | Confident | 78.6 | Confident | 86 Ų | 86 | 53.8 Ų | 53.8 | 45% | 0.45 | 30% | 0.296 | S | S | . | . | trans | -82.4 | 148.7 | 179.5 | -66.5 | 162.2 | 0 | 0 | 0 | 110.6 | V1528 P1571 | L1469-V1528 HydrophobicContact CD2-CG2 3.41Å; L1469-V1528 VanDerWaalsContact CD2-CG2 3.41Å; L1469-P1571 WeakPolarHBondContact O-CD 3.45Å | ||
| 1470 | P | 86.7 | Confident | 79.4 | Confident | 7 Ų | 7 | 51.8 Ų | 51.8 | 5% | 0.045 | 28% | 0.284 | C | S | . | . | trans | -67.9 | 132.7 | 175.7 | 27.4 | -32.7 | 0 | 0 | 0 | 111.7 | I1495 F1568 Q1569 L1623 | P1470-I1495 HydrophobicContact CG-CG2 4.37Å; P1470-F1568 HydrophobicContact CB-CB 4.13Å; P1470-F1568 HydrophobicContact CB-CD1 3.84Å; P1470-F1568 HydrophobicContact CB-CG 4.48Å; P1470-F1568 HydrophobicContact CG-CD1 3.8Å; P1470-F1568 HydrophobicContact CG-CE1 4.42Å; P1470-Q1569 CarbonylContact C-O 3.57Å; P1470-Q1569 VanDerWaalsContact CA-O 3.25Å; P1470-Q1569 WeakPolarHBondContact CA-O 3.23Å; P1470-L1623 HydrophobicContact CB-CD2 4.13Å; P1470-L1623 HydrophobicContact CG-CD2 3.94Å | ||
| 1471 | E | 85.1 | Confident | 80.1 | Confident | 109 Ų | 109 | 52.1 Ų | 52.1 | 51% | 0.509 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -85.2 | -36.5 | -179.1 | -167 | 179.7 | 174.2 | 0 | 0 | 112.3 | Q1569 | E1471-Q1569 PolarHBondContact N-O 2.79Š|
| 1472 | H | 87.9 | Confident | 81.5 | Confident | 36 Ų | 36 | 50.2 Ų | 50.2 | 17% | 0.167 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 147 | -179.8 | -53.7 | -36.1 | 0 | 0 | 0 | 110.3 | R1491 Q1569 | H1472-R1491 WeakPolarHBondContact ND1-CD 3.39Å; H1472-R1491 WeakPolarHBondContact ND1-CG 3.44Å; H1472-Q1569 HydrophobicContact CB-CB 4.3Å; H1472-Q1569 PolarHBondContact O-N 3.17Å |
| 1473 | S | 89.8 | Confident | 83 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 125.7 | 170 | -177.8 | 0 | 0 | 0 | 0 | 111 | A1490 Y1532 D1567 | S1473-A1490 PolarHBondContact N-O 3.08Å; S1473-A1490 PolarHBondContact O-N 3.32Å; S1473-Y1532 PolarHBondContact OG-OH 3.25Å; S1473-D1567 CarbonylContact C-O 3.58Å; S1473-D1567 WeakPolarHBondContact CA-O 3.15Å; S1473-D1567 PolarHBondContact OG-O 2.67Å |
| 1474 | N | 90.3 | Very high | 84.3 | Confident | 34 Ų | 34 | 47.2 Ų | 47.2 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 146.8 | 179 | -53 | -50.2 | 0 | 0 | 0 | 110.1 | E1489 F1566 D1567 | N1474-E1489 WeakPolarHBondContact OD1-CB 3.48Å; N1474-E1489 WeakPolarHBondContact OD1-CG 3.46Å; N1474-F1566 CarbonylContact O-C 3.52Å; N1474-F1566 WeakPolarHBondContact O-CA 3.35Å; N1474-F1566 VanDerWaalsContact O-CB 3.25Å; N1474-F1566 WeakPolarHBondContact O-CB 3.46Å; N1474-D1567 WeakPolarHBondContact CB-OD1 3.39Å; N1474-D1567 PolarHBondContact N-O 2.91Å; N1474-D1567 PolarHBondContact ND2-OD2 3.22Å; N1474-D1567 PolarHBondContact O-N 3.11Å |
| 1475 | F | 91 | Very high | 85.5 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 135 | 174.4 | 178.2 | -85.4 | 0 | 0 | 0 | 110.1 | I1477 Y1486 A1487 V1488 Y1532 L1564 E1565 F1566 F1617 L1697 | F1475-I1477 HydrophobicContact CD1-CG1 4.37Å; F1475-I1477 HydrophobicContact CE1-CD1 3.7Å; F1475-I1477 HydrophobicContact CE1-CG1 3.4Å; F1475-I1477 HydrophobicContact CZ-CD1 4.02Å; F1475-I1477 HydrophobicContact CZ-CG1 3.76Å; F1475-Y1486 AromaticContact CD1-CD1 3.92Å; F1475-Y1486 HydrophobicContact CD1-CD1 3.92Å; F1475-Y1486 AromaticContact CD1-CE1 3.67Å; F1475-Y1486 HydrophobicContact CD1-CE1 3.67Å; F1475-Y1486 HydrophobicContact CE1-CD1 4.01Å; F1475-Y1486 AromaticContact CE1-CE1 3.99Å; F1475-Y1486 HydrophobicContact CE1-CE1 3.99Å; F1475-A1487 WeakPolarHBondContact O-CA 3.28Å; F1475-V1488 HydrophobicContact CB-CG1 3.89Å; F1475-V1488 HydrophobicContact CD1-CG1 4.25Å; F1475-V1488 PolarHBondContact N-O 3.49Å; F1475-V1488 PolarHBondContact O-N 3.39Å; F1475-Y1532 HydrophobicContact CB-CD1 4.02Å; F1475-Y1532 HydrophobicContact CB-CE1 3.68Å; F1475-Y1532 HydrophobicContact CB-CE2 4.24Å; F1475-Y1532 HydrophobicContact CB-CG 4.41Å; F1475-L1564 HydrophobicContact CZ-CD2 4.36Å; F1475-E1565 CarbonylContact C-O 3.5Å; F1475-E1565 WeakPolarHBondContact CA-O 3.35Å; F1475-F1566 HydrophobicContact CB-CB 4.23Å; F1475-F1566 HydrophobicContact CD2-CB 3.72Å; F1475-F1566 HydrophobicContact CD2-CD1 4.13Å; F1475-F1566 HydrophobicContact CD2-CG 4.31Å; F1475-F1566 HydrophobicContact CE2-CD1 4.28Å; F1475-F1566 HydrophobicContact CG-CB 4.41Å; F1475-F1617 AromaticContact CD2-CE2 3.87Å; F1475-F1617 HydrophobicContact CD2-CE2 3.87Å; F1475-F1617 HydrophobicContact CD2-CZ 4.38Å; F1475-F1617 AromaticContact CE2-CD2 3.75Å; F1475-F1617 HydrophobicContact CE2-CD2 3.75Å; F1475-F1617 AromaticContact CE2-CE2 3.23Å; F1475-F1617 HydrophobicContact CE2-CE2 3.23Å; F1475-F1617 HydrophobicContact CE2-CZ 4.02Å; F1475-F1617 HydrophobicContact CZ-CD2 4.15Å; F1475-F1617 AromaticContact CZ-CE2 3.94Å; F1475-F1617 HydrophobicContact CZ-CE2 3.94Å; F1475-L1697 HydrophobicContact CD1-CD1 3.62Å; F1475-L1697 HydrophobicContact CE1-CD1 3.3Å; F1475-L1697 HydrophobicContact CG-CD1 4.44Å; F1475-L1697 HydrophobicContact CZ-CD1 4.02Å |
| 1476 | K | 91.5 | Very high | 86.7 | Confident | 80 Ų | 80 | 41 Ų | 41 | 35% | 0.348 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 138.8 | -174.6 | -62.1 | 174.7 | -173.3 | 165.3 | 0 | 111.1 | Y1486 A1487 E1565 | K1476-Y1486 CarbonylContact C-O 3.47Å; K1476-Y1486 VanDerWaalsContact CA-O 3.29Å; K1476-Y1486 WeakPolarHBondContact CA-O 3.48Å; K1476-A1487 HydrophobicContact CG-CB 4.25Å; K1476-E1565 HydrophobicContact CB-CB 4.47Å; K1476-E1565 PolarHBondContact N-O 3.23Å; K1476-E1565 PolarHBondContact O-N 3.35Å |
| 1477 | I | 91.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 124.6 | 169.5 | -52.1 | -172.7 | 0 | 0 | 0 | 108 | F1475 L1485 Y1486 L1562 V1563 L1564 L1651 L1653 V1671 | F1475-I1477 HydrophobicContact CD1-CG1 4.37Å; F1475-I1477 HydrophobicContact CE1-CD1 3.7Å; F1475-I1477 HydrophobicContact CE1-CG1 3.4Å; F1475-I1477 HydrophobicContact CZ-CD1 4.02Å; F1475-I1477 HydrophobicContact CZ-CG1 3.76Å; I1477-L1485 PolarHBondContact O-N 2.97Å; I1477-Y1486 HydrophobicContact CD1-CD1 4.4Å; I1477-Y1486 HydrophobicContact CG1-CD1 4.19Å; I1477-Y1486 PolarHBondContact N-O 3.44Å; I1477-Y1486 PolarHBondContact O-N 2.88Å; I1477-Y1486 VanDerWaalsContact O-N 3.13Å; I1477-L1562 HydrophobicContact CG2-CD1 3.64Å; I1477-L1562 HydrophobicContact CG2-CD2 4.01Å; I1477-L1562 HydrophobicContact CG2-CG 3.83Å; I1477-V1563 WeakPolarHBondContact CA-O 3.4Å; I1477-L1564 HydrophobicContact CB-CD2 4.21Å; I1477-L1564 HydrophobicContact CD1-CD2 3.88Å; I1477-L1564 HydrophobicContact CG1-CD2 3.65Å; I1477-L1564 HydrophobicContact CG2-CD2 3.9Å; I1477-L1651 HydrophobicContact CD1-CD1 4.24Å; I1477-L1653 HydrophobicContact CD1-CD2 3.85Å; I1477-L1653 HydrophobicContact CG2-CD2 4.42Å; I1477-V1671 HydrophobicContact CD1-CG1 4.07Å; I1477-V1671 HydrophobicContact CD1-CG2 3.83Å |
| 1478 | S | 91 | Very high | 88.6 | Confident | 25 Ų | 25 | 32.2 Ų | 32.2 | 18% | 0.175 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 157.6 | 174.1 | 58.9 | 0 | 0 | 0 | 0 | 111 | L1562 V1563 | S1478-L1562 CarbonylContact O-C 3.47Å; S1478-L1562 WeakPolarHBondContact O-CA 3.4Å; S1478-V1563 PolarHBondContact N-O 3.36Å; S1478-V1563 PolarHBondContact O-N 3.35Å |
| 1479 | I | 89.8 | Confident | 89.1 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 133.2 | 162.9 | -63.7 | 172.4 | 0 | 0 | 0 | 106.1 | G1481 F1482 L1485 L1550 L1560 L1562 L1600 | I1479-G1481 PolarHBondContact O-N 3.38Å; I1479-F1482 HydrophobicContact CB-CB 4.46Å; I1479-F1482 HydrophobicContact CB-CD2 4.3Å; I1479-F1482 HydrophobicContact CG2-CD2 3.87Å; I1479-F1482 HydrophobicContact CG2-CE2 4.5Å; I1479-F1482 PolarHBondContact O-N 2.96Å; I1479-L1485 HydrophobicContact CD1-CD1 3.91Å; I1479-L1485 HydrophobicContact CD1-CD2 4.21Å; I1479-L1485 HydrophobicContact CD1-CG 4.48Å; I1479-L1485 HydrophobicContact CG1-CD1 3.8Å; I1479-L1485 HydrophobicContact CG1-CD2 4.37Å; I1479-L1485 HydrophobicContact CG1-CG 4.25Å; I1479-L1550 HydrophobicContact CD1-CD1 3.87Å; I1479-L1550 HydrophobicContact CD1-CD2 4.12Å; I1479-L1550 HydrophobicContact CG2-CD1 3.99Å; I1479-L1560 HydrophobicContact CD1-CD2 4.46Å; I1479-L1560 HydrophobicContact CG2-CD1 3.83Å; I1479-L1560 HydrophobicContact CG2-CD2 3.68Å; I1479-L1560 HydrophobicContact CG2-CG 3.58Å; I1479-L1562 HydrophobicContact CG1-CD1 3.96Å; I1479-L1600 HydrophobicContact CD1-CD1 4.08Å; I1479-L1600 HydrophobicContact CD1-CD2 3.76Å |
| 1480 | A | 86.4 | Confident | 89.3 | Confident | 38 Ų | 38 | 30.2 Ų | 30.2 | 31% | 0.314 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 124 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111 | S1561 V1563 | A1480-S1561 VanDerWaalsContact CB-OG 3.26Å; A1480-S1561 WeakPolarHBondContact CB-OG 3.39Å; A1480-S1561 PolarHBondContact N-O 3.01Å; A1480-V1563 HydrophobicContact CB-CG2 4.22Å |
| 1481 | G | 84.2 | Confident | 89.4 | Confident | 84 Ų | 84 | 36 Ų | 36 | 87% | 0.866 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.2 | -5.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | I1479 | I1479-G1481 PolarHBondContact O-N 3.38Š|
| 1482 | F | 89 | Confident | 89.4 | Confident | 27 Ų | 27 | 33.2 Ų | 33.2 | 12% | 0.118 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -121.7 | 159.9 | -178.3 | -63.9 | -81.8 | 0 | 0 | 0 | 112.7 | I1479 I1542 G1546 A1549 L1550 Q1553 L1560 | I1479-F1482 HydrophobicContact CB-CB 4.46Å; I1479-F1482 HydrophobicContact CB-CD2 4.3Å; I1479-F1482 HydrophobicContact CG2-CD2 3.87Å; I1479-F1482 HydrophobicContact CG2-CE2 4.5Å; I1479-F1482 PolarHBondContact O-N 2.96Å; F1482-I1542 HydrophobicContact CD1-CD1 4.23Å; F1482-G1546 WeakPolarHBondContact CE1-O 2.95Å; F1482-A1549 HydrophobicContact CE1-CB 4.15Å; F1482-L1550 HydrophobicContact CD1-CB 3.81Å; F1482-L1550 HydrophobicContact CD1-CD1 4.39Å; F1482-L1550 HydrophobicContact CD2-CB 4.46Å; F1482-L1550 HydrophobicContact CD2-CD1 3.55Å; F1482-L1550 HydrophobicContact CD2-CG 4.48Å; F1482-L1550 HydrophobicContact CE1-CB 3.51Å; F1482-L1550 HydrophobicContact CE1-CD1 4.37Å; F1482-L1550 HydrophobicContact CE1-CG 4.48Å; F1482-L1550 HydrophobicContact CE2-CB 4.18Å; F1482-L1550 HydrophobicContact CE2-CD1 3.49Å; F1482-L1550 VanDerWaalsContact CE2-CD1 3.49Å; F1482-L1550 HydrophobicContact CE2-CG 4.42Å; F1482-L1550 HydrophobicContact CG-CB 4.28Å; F1482-L1550 HydrophobicContact CG-CD1 4Å; F1482-L1550 HydrophobicContact CZ-CB 3.7Å; F1482-L1550 HydrophobicContact CZ-CD1 3.94Å; F1482-L1550 HydrophobicContact CZ-CG 4.43Å; F1482-Q1553 HydrophobicContact CZ-CG 4.49Å; F1482-Q1553 VanDerWaalsContact CZ-OE1 3.27Å; F1482-L1560 HydrophobicContact CE2-CD1 4.4Å |
| 1483 | P | 89.4 | Confident | 89.1 | Confident | 53 Ų | 53 | 34.8 Ų | 34.8 | 34% | 0.344 | 23% | 0.226 | S | C | . | . | trans | -53.9 | 146.2 | 174.5 | -26.2 | 35.7 | 0 | 0 | 0 | 112.3 | L1485 | P1483-L1485 PolarHBondContact O-N 3.39Š| ||
| 1484 | T | 90.4 | Very high | 88.7 | Confident | 56 Ų | 56 | 37.5 Ų | 37.5 | 34% | 0.344 | 24% | 0.238 | S | C | . | . | trans | -52.2 | 127.3 | 179.7 | 47.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1485 | L | 89.4 | Confident | 88.6 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -71.3 | -48.8 | 176.9 | -56.3 | -173.3 | 0 | 0 | 0 | 109.7 | I1477 I1479 P1483 W1540 L1562 L1653 W1669 | I1477-L1485 PolarHBondContact O-N 2.97Å; I1479-L1485 HydrophobicContact CD1-CD1 3.91Å; I1479-L1485 HydrophobicContact CD1-CD2 4.21Å; I1479-L1485 HydrophobicContact CD1-CG 4.48Å; I1479-L1485 HydrophobicContact CG1-CD1 3.8Å; I1479-L1485 HydrophobicContact CG1-CD2 4.37Å; I1479-L1485 HydrophobicContact CG1-CG 4.25Å; P1483-L1485 PolarHBondContact O-N 3.39Å; L1485-W1540 HydrophobicContact CD2-CZ2 4.06Å; L1485-L1562 HydrophobicContact CD1-CD1 4.15Å; L1485-L1653 HydrophobicContact CD1-CD1 4.25Å; L1485-W1669 HydrophobicContact CB-CB 4.42Å; L1485-W1669 HydrophobicContact CB-CD2 4.19Å; L1485-W1669 HydrophobicContact CB-CG 3.87Å; L1485-W1669 HydrophobicContact CD1-CD2 4.46Å; L1485-W1669 HydrophobicContact CD1-CZ2 4.45Å; L1485-W1669 HydrophobicContact CD2-CZ2 4.03Å; L1485-W1669 WeakPolarHBondContact O-CB 3.44Å |
| 1486 | Y | 91.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 130.6 | -174.8 | 175.6 | -91.6 | 0 | 0 | 0 | 109.9 | F1475 K1476 I1477 V1488 R1533 R1534 E1535 V1671 L1697 | F1475-Y1486 AromaticContact CD1-CD1 3.92Å; F1475-Y1486 HydrophobicContact CD1-CD1 3.92Å; F1475-Y1486 AromaticContact CD1-CE1 3.67Å; F1475-Y1486 HydrophobicContact CD1-CE1 3.67Å; F1475-Y1486 HydrophobicContact CE1-CD1 4.01Å; F1475-Y1486 AromaticContact CE1-CE1 3.99Å; F1475-Y1486 HydrophobicContact CE1-CE1 3.99Å; K1476-Y1486 CarbonylContact C-O 3.47Å; K1476-Y1486 VanDerWaalsContact CA-O 3.29Å; K1476-Y1486 WeakPolarHBondContact CA-O 3.48Å; I1477-Y1486 HydrophobicContact CD1-CD1 4.4Å; I1477-Y1486 HydrophobicContact CG1-CD1 4.19Å; I1477-Y1486 PolarHBondContact N-O 3.44Å; I1477-Y1486 PolarHBondContact O-N 2.88Å; I1477-Y1486 VanDerWaalsContact O-N 3.13Å; Y1486-V1488 HydrophobicContact CD1-CG1 4.38Å; Y1486-V1488 HydrophobicContact CE1-CB 3.9Å; Y1486-V1488 HydrophobicContact CE1-CG1 3.38Å; Y1486-V1488 WeakPolarHBondContact OH-CG1 3.18Å; Y1486-R1533 PolarHBondContact OH-O 3.25Å; Y1486-R1534 VanDerWaalsContact CE2-O 3.31Å; Y1486-R1534 WeakPolarHBondContact CE2-O 3.23Å; Y1486-E1535 VanDerWaalsContact CE2-C 3.45Å; Y1486-E1535 WeakPolarHBondContact CE2-O 3.34Å; Y1486-V1671 HydrophobicContact CD1-CG2 3.85Å; Y1486-V1671 HydrophobicContact CD2-CB 4.2Å; Y1486-V1671 HydrophobicContact CD2-CG2 3.38Å; Y1486-V1671 HydrophobicContact CE1-CG2 4.25Å; Y1486-V1671 HydrophobicContact CE2-CB 4.17Å; Y1486-V1671 HydrophobicContact CE2-CG2 3.86Å; Y1486-V1671 HydrophobicContact CG-CB 4.45Å; Y1486-V1671 HydrophobicContact CG-CG2 3.38Å; Y1486-L1697 HydrophobicContact CD1-CD1 4.47Å; Y1486-L1697 HydrophobicContact CE1-CD1 3.63Å |
| 1487 | A | 92.1 | Very high | 88.1 | Confident | 15 Ų | 15 | 41.1 Ų | 41.1 | 12% | 0.124 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 133.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | F1475 K1476 S1536 D1537 T1538 | F1475-A1487 WeakPolarHBondContact O-CA 3.28Å; K1476-A1487 HydrophobicContact CG-CB 4.25Å; A1487-S1536 PolarHBondContact N-OG 3.46Å; A1487-S1536 VanDerWaalsContact N-OG 3.09Å; A1487-S1536 PolarHBondContact O-OG 2.87Å; A1487-D1537 PolarHBondContact O-N 3.42Å; A1487-T1538 HydrophobicContact CB-CG2 4.41Å |
| 1488 | V | 91.2 | Very high | 87.8 | Confident | 7 Ų | 7 | 41.5 Ų | 41.5 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 145.2 | -176.3 | 66.2 | 0 | 0 | 0 | 0 | 110.9 | F1475 Y1486 Y1532 R1533 D1537 | F1475-V1488 HydrophobicContact CB-CG1 3.89Å; F1475-V1488 HydrophobicContact CD1-CG1 4.25Å; F1475-V1488 PolarHBondContact N-O 3.49Å; F1475-V1488 PolarHBondContact O-N 3.39Å; Y1486-V1488 HydrophobicContact CD1-CG1 4.38Å; Y1486-V1488 HydrophobicContact CE1-CB 3.9Å; Y1486-V1488 HydrophobicContact CE1-CG1 3.38Å; Y1486-V1488 WeakPolarHBondContact OH-CG1 3.18Å; V1488-Y1532 HydrophobicContact CG1-CD1 3.53Å; V1488-Y1532 HydrophobicContact CG1-CE1 4.41Å; V1488-Y1532 HydrophobicContact CG1-CG 3.87Å; V1488-Y1532 HydrophobicContact CG2-CD1 4.41Å; V1488-R1533 HydrophobicContact CG2-CB 4.27Å; V1488-D1537 WeakPolarHBondContact CA-OD2 3.36Å |
| 1489 | E | 90.1 | Very high | 87.5 | Confident | 59 Ų | 59 | 44.7 Ų | 44.7 | 28% | 0.276 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 126.5 | 176.7 | 178.3 | 170.6 | -158.4 | 0 | 0 | 111.8 | N1474 R1491 D1537 | N1474-E1489 WeakPolarHBondContact OD1-CB 3.48Å; N1474-E1489 WeakPolarHBondContact OD1-CG 3.46Å; E1489-R1491 HydrophobicContact CG-CG 3.95Å; E1489-R1491 IonicContact OE1-CZ 3.92Å; E1489-R1491 IonicContact OE1-NE 2.89Å; E1489-R1491 PolarHBondContact OE1-NE 2.92Å; E1489-R1491 IonicContact OE1-NH2 3.87Å; E1489-R1491 PolarHBondContact OE1-NH2 3.41Å; E1489-R1491 IonicContact OE2-CZ 3.09Å; E1489-R1491 VanDerWaalsContact OE2-CZ 3.24Å; E1489-R1491 IonicContact OE2-NE 3.57Å; E1489-R1491 PolarHBondContact OE2-NE 3.43Å; E1489-R1491 IonicContact OE2-NH2 2.72Å; E1489-R1491 PolarHBondContact OE2-NH2 2.92Å; E1489-D1537 PolarHBondContact N-OD2 3.44Å; E1489-D1537 VanDerWaalsContact N-OD2 3.14Å |
| 1490 | A | 88 | Confident | 87.4 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.008 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 125 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | S1473 F1494 I1495 Y1532 | S1473-A1490 PolarHBondContact N-O 3.08Å; S1473-A1490 PolarHBondContact O-N 3.32Å; A1490-F1494 HydrophobicContact CB-CB 3.85Å; A1490-I1495 HydrophobicContact CB-CG1 4.16Å; A1490-I1495 WeakPolarHBondContact O-CD1 3.49Å; A1490-Y1532 HydrophobicContact CB-CD1 3.87Å; A1490-Y1532 HydrophobicContact CB-CE1 3.83Å |
| 1491 | R | 87.4 | Confident | 87.3 | Confident | 128 Ų | 128 | 50.4 Ų | 50.4 | 48% | 0.483 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 154.3 | 174.5 | -58.3 | -169.1 | 173.6 | 151 | 2.5 | 111.5 | H1472 E1489 A1493 F1494 | H1472-R1491 WeakPolarHBondContact ND1-CD 3.39Å; H1472-R1491 WeakPolarHBondContact ND1-CG 3.44Å; E1489-R1491 HydrophobicContact CG-CG 3.95Å; E1489-R1491 IonicContact OE1-CZ 3.92Å; E1489-R1491 IonicContact OE1-NE 2.89Å; E1489-R1491 PolarHBondContact OE1-NE 2.92Å; E1489-R1491 IonicContact OE1-NH2 3.87Å; E1489-R1491 PolarHBondContact OE1-NH2 3.41Å; E1489-R1491 IonicContact OE2-CZ 3.09Å; E1489-R1491 VanDerWaalsContact OE2-CZ 3.24Å; E1489-R1491 IonicContact OE2-NE 3.57Å; E1489-R1491 PolarHBondContact OE2-NE 3.43Å; E1489-R1491 IonicContact OE2-NH2 2.72Å; E1489-R1491 PolarHBondContact OE2-NH2 2.92Å; R1491-A1493 PolarHBondContact O-N 3.25Å; R1491-F1494 WeakPolarHBondContact O-CD2 3.02Å; R1491-F1494 PolarHBondContact O-N 3.09Å; R1491-F1494 VanDerWaalsContact O-N 3.09Å |
| 1492 | G | 84.6 | Confident | 87.2 | Confident | 52 Ų | 52 | 48.9 Ų | 48.9 | 54% | 0.536 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | 52.4 | -110.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | F1494 I1495 | G1492-F1494 PolarHBondContact O-N 2.87Å; G1492-I1495 CarbonylContact O-C 3.56Å; G1492-I1495 PolarHBondContact O-N 3.25Å |
| 1493 | A | 81.6 | Confident | 87.1 | Confident | 68 Ų | 68 | 48.2 Ų | 48.2 | 56% | 0.562 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -62.6 | -14.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | R1491 K1496 | R1491-A1493 PolarHBondContact O-N 3.25Å; A1493-K1496 WeakPolarHBondContact O-CD 3.06Å; A1493-K1496 WeakPolarHBondContact O-CE 3.48Å; A1493-K1496 WeakPolarHBondContact O-CG 3.36Å |
| 1494 | F | 83.2 | Confident | 86.9 | Confident | 57 Ų | 57 | 51.4 Ų | 51.4 | 25% | 0.25 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -86.6 | -12.4 | 174.3 | -63 | -74.3 | 0 | 0 | 0 | 113.2 | A1490 R1491 G1492 S1530 M1531 Y1695 | A1490-F1494 HydrophobicContact CB-CB 3.85Å; R1491-F1494 WeakPolarHBondContact O-CD2 3.02Å; R1491-F1494 PolarHBondContact O-N 3.09Å; R1491-F1494 VanDerWaalsContact O-N 3.09Å; G1492-F1494 PolarHBondContact O-N 2.87Å; F1494-S1530 CarbonylContact O-C 3.55Å; F1494-S1530 WeakPolarHBondContact O-CA 3.36Å; F1494-M1531 PolarHBondContact O-N 3.5Å; F1494-Y1695 HydrophobicContact CD1-CE1 4.38Å; F1494-Y1695 HydrophobicContact CE1-CE1 4.03Å |
| 1495 | I | 86.9 | Confident | 86.5 | Confident | 21 Ų | 21 | 55.1 Ų | 55.1 | 11% | 0.108 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 97.9 | 175 | -58.5 | -178.8 | 0 | 0 | 0 | 107.6 | P1470 A1490 G1492 V1528 R1529 | P1470-I1495 HydrophobicContact CG-CG2 4.37Å; A1490-I1495 HydrophobicContact CB-CG1 4.16Å; A1490-I1495 WeakPolarHBondContact O-CD1 3.49Å; G1492-I1495 CarbonylContact O-C 3.56Å; G1492-I1495 PolarHBondContact O-N 3.25Å; I1495-V1528 HydrophobicContact CG2-CG1 3.27Å; I1495-R1529 WeakPolarHBondContact CA-O 3.47Å |
| 1496 | K | 85.6 | Confident | 85.9 | Confident | 103 Ų | 103 | 56.1 Ų | 56.1 | 45% | 0.448 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 138.2 | -175 | -75 | 175.6 | 171.8 | 163.3 | 0 | 111.1 | A1493 R1529 M1531 | A1493-K1496 WeakPolarHBondContact O-CD 3.06Å; A1493-K1496 WeakPolarHBondContact O-CE 3.48Å; A1493-K1496 WeakPolarHBondContact O-CG 3.36Å; K1496-R1529 PolarHBondContact N-O 2.99Å; K1496-R1529 PolarHBondContact O-N 3.16Å; K1496-M1531 HydrophobicContact CD-CE 4.07Å |
| 1497 | P | 87.3 | Confident | 85.5 | Confident | 67 Ų | 67 | 59.2 Ų | 59.2 | 44% | 0.435 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 148.9 | 168.1 | 28.3 | -33.5 | 0 | 0 | 0 | 110.3 | N1499 T1527 | P1497-N1499 PolarHBondContact O-N 2.93Å; P1497-T1527 CarbonylContact C-O 3.32Å; P1497-T1527 VanDerWaalsContact CA-O 3.25Å; P1497-T1527 WeakPolarHBondContact CA-O 3.45Å |
| 1498 | L | 84.9 | Confident | 85 | Confident | 8 Ų | 8 | 62.2 Ų | 62.2 | 4% | 0.042 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 135.9 | 174.3 | -94.3 | 73.4 | 0 | 0 | 0 | 109.9 | F1503 T1527 R1529 I1700 | L1498-F1503 HydrophobicContact CB-CB 4.35Å; L1498-F1503 HydrophobicContact CD2-CB 4.4Å; L1498-F1503 HydrophobicContact CD2-CD2 4.35Å; L1498-T1527 PolarHBondContact N-O 2.91Å; L1498-R1529 HydrophobicContact CD1-CB 3.88Å; L1498-I1700 HydrophobicContact CD1-CG2 4.08Å |
| 1499 | N | 85 | Confident | 84.1 | Confident | 92 Ų | 92 | 67.4 Ų | 67.4 | 49% | 0.492 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 145.4 | 170 | -75.2 | -36 | 0 | 0 | 0 | 109.4 | P1497 A1501 E1502 F1503 | P1497-N1499 PolarHBondContact O-N 2.93Å; N1499-A1501 PolarHBondContact O-N 3.16Å; N1499-A1501 VanDerWaalsContact O-N 3.16Å; N1499-E1502 HydrophobicContact CB-CB 4.19Å; N1499-E1502 HydrophobicContact CB-CG 3.94Å; N1499-E1502 PolarHBondContact ND2-OE1 3.49Å; N1499-E1502 CarbonylContact O-C 3.43Å; N1499-E1502 WeakPolarHBondContact O-CA 3.35Å; N1499-E1502 WeakPolarHBondContact O-CB 3.47Å; N1499-E1502 PolarHBondContact O-N 3.26Å; N1499-F1503 PolarHBondContact O-N 3.48Å |
| 1500 | P | 87.1 | Confident | 83.5 | Confident | 87 Ų | 87 | 66.2 Ų | 66.2 | 57% | 0.565 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -52.4 | -41.1 | 176.9 | -27 | 34 | 0 | 0 | 0 | 112.6 | E1502 F1503 E1504 | P1500-E1502 VanDerWaalsContact C-N 3.32Å; P1500-E1502 PolarHBondContact O-N 2.98Å; P1500-F1503 PolarHBondContact O-N 3.38Å; P1500-E1504 WeakPolarHBondContact O-CB 3.42Å; P1500-E1504 WeakPolarHBondContact O-CG 3.33Å; P1500-E1504 PolarHBondContact O-N 3.16Å |
| 1501 | A | 85.5 | Confident | 82.6 | Confident | 72 Ų | 72 | 71.6 Ų | 71.6 | 60% | 0.595 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -64.3 | -34.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | N1499 Q1505 | N1499-A1501 PolarHBondContact O-N 3.16Å; N1499-A1501 VanDerWaalsContact O-N 3.16Å; A1501-Q1505 WeakPolarHBondContact O-CB 3.48Å; A1501-Q1505 WeakPolarHBondContact O-CG 3.42Å; A1501-Q1505 PolarHBondContact O-N 2.94Å |
| 1502 | E | 81.8 | Confident | 82 | Confident | 52 Ų | 52 | 67.3 Ų | 67.3 | 24% | 0.243 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -75.6 | -38.7 | 176.8 | -67.3 | 170 | -157 | 0 | 0 | 111.1 | N1499 P1500 E1504 Q1505 F1506 R1529 | N1499-E1502 HydrophobicContact CB-CB 4.19Å; N1499-E1502 HydrophobicContact CB-CG 3.94Å; N1499-E1502 PolarHBondContact ND2-OE1 3.49Å; N1499-E1502 CarbonylContact O-C 3.43Å; N1499-E1502 WeakPolarHBondContact O-CA 3.35Å; N1499-E1502 WeakPolarHBondContact O-CB 3.47Å; N1499-E1502 PolarHBondContact O-N 3.26Å; P1500-E1502 VanDerWaalsContact C-N 3.32Å; P1500-E1502 PolarHBondContact O-N 2.98Å; E1502-E1504 VanDerWaalsContact C-N 3.34Å; E1502-Q1505 PolarHBondContact O-N 3.47Å; E1502-F1506 VanDerWaalsContact O-CB 3.23Å; E1502-F1506 WeakPolarHBondContact O-CB 3.31Å; E1502-F1506 PolarHBondContact O-N 3.07Å; E1502-R1529 IonicContact OE1-NH1 2.8Å; E1502-R1529 IonicContact OE2-CZ 2.74Å; E1502-R1529 IonicContact OE2-NH1 3.7Å; E1502-R1529 PolarHBondContact OE2-NH1 3.47Å; E1502-R1529 IonicContact OE2-NH2 3.37Å; E1502-R1529 PolarHBondContact OE2-NH2 2.79Å |
| 1503 | F | 86.1 | Confident | 81.8 | Confident | 13 Ų | 13 | 73.9 Ų | 73.9 | 6% | 0.057 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65.3 | -38 | 173.5 | -172.7 | -95.6 | 0 | 0 | 0 | 111.2 | L1498 N1499 P1500 F1506 Y1507 L1519 P1524 T1527 | L1498-F1503 HydrophobicContact CB-CB 4.35Å; L1498-F1503 HydrophobicContact CD2-CB 4.4Å; L1498-F1503 HydrophobicContact CD2-CD2 4.35Å; N1499-F1503 PolarHBondContact O-N 3.48Å; P1500-F1503 PolarHBondContact O-N 3.38Å; F1503-F1506 WeakPolarHBondContact O-CB 3.5Å; F1503-F1506 PolarHBondContact O-N 3.03Å; F1503-Y1507 WeakPolarHBondContact O-CB 3.44Å; F1503-Y1507 PolarHBondContact O-N 3.14Å; F1503-L1519 HydrophobicContact CE2-CD2 4.2Å; F1503-L1519 HydrophobicContact CZ-CD2 4.25Å; F1503-P1524 HydrophobicContact CB-CB 4.06Å; F1503-P1524 HydrophobicContact CB-CG 4.24Å; F1503-P1524 HydrophobicContact CD1-CB 4.44Å; F1503-P1524 HydrophobicContact CD1-CG 3.85Å; F1503-P1524 HydrophobicContact CE1-CG 4.44Å; F1503-P1524 HydrophobicContact CG-CB 4.16Å; F1503-P1524 HydrophobicContact CG-CG 4.07Å; F1503-T1527 HydrophobicContact CD2-CG2 4.02Å; F1503-T1527 HydrophobicContact CE2-CG2 3.57Å |
| 1504 | E | 85.4 | Confident | 81.7 | Confident | 121 Ų | 121 | 76.7 Ų | 76.7 | 57% | 0.565 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -67.9 | -41.6 | 173.7 | -72 | -67 | 165.7 | 0 | 0 | 112.2 | P1500 E1502 F1506 Y1507 A1508 | P1500-E1504 WeakPolarHBondContact O-CB 3.42Å; P1500-E1504 WeakPolarHBondContact O-CG 3.33Å; P1500-E1504 PolarHBondContact O-N 3.16Å; E1502-E1504 VanDerWaalsContact C-N 3.34Å; E1504-F1506 VanDerWaalsContact C-N 3.3Å; E1504-F1506 PolarHBondContact O-N 3.41Å; E1504-Y1507 PolarHBondContact O-N 2.98Å; E1504-A1508 WeakPolarHBondContact O-CB 3.34Å; E1504-A1508 PolarHBondContact O-N 2.63Å |
| 1505 | Q | 81 | Confident | 81.6 | Confident | 134 Ų | 134 | 74 Ų | 74 | 63% | 0.626 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.2 | -40 | 171.1 | -83.2 | -176.7 | -14.8 | 0 | 0 | 111.8 | A1501 E1502 A1508 N1509 | A1501-Q1505 WeakPolarHBondContact O-CB 3.48Å; A1501-Q1505 WeakPolarHBondContact O-CG 3.42Å; A1501-Q1505 PolarHBondContact O-N 2.94Å; E1502-Q1505 PolarHBondContact O-N 3.47Å; Q1505-A1508 PolarHBondContact O-N 3.01Å; Q1505-N1509 PolarHBondContact O-N 3.48Å; Q1505-N1509 VanDerWaalsContact O-N 3.09Å |
| 1506 | F | 78.1 | Confident | 81.5 | Confident | 22 Ų | 22 | 74.4 Ų | 74.4 | 10% | 0.096 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 175.8 | -168.5 | -93.3 | 0 | 0 | 0 | 111 | E1502 F1503 E1504 A1508 N1509 Y1510 L1519 W1619 L1620 I1635 I1700 F1702 | E1502-F1506 VanDerWaalsContact O-CB 3.23Å; E1502-F1506 WeakPolarHBondContact O-CB 3.31Å; E1502-F1506 PolarHBondContact O-N 3.07Å; F1503-F1506 WeakPolarHBondContact O-CB 3.5Å; F1503-F1506 PolarHBondContact O-N 3.03Å; E1504-F1506 VanDerWaalsContact C-N 3.3Å; E1504-F1506 PolarHBondContact O-N 3.41Å; F1506-A1508 VanDerWaalsContact C-N 3.34Å; F1506-A1508 PolarHBondContact O-N 3.37Å; F1506-N1509 PolarHBondContact O-N 3.4Å; F1506-Y1510 HydrophobicContact CD1-CD2 4.15Å; F1506-Y1510 HydrophobicContact CD1-CE2 4.3Å; F1506-Y1510 HydrophobicContact CD2-CE2 4.05Å; F1506-Y1510 AromaticContact CE1-CD2 3.85Å; F1506-Y1510 HydrophobicContact CE1-CD2 3.85Å; F1506-Y1510 AromaticContact CE1-CE2 3.83Å; F1506-Y1510 HydrophobicContact CE1-CE2 3.83Å; F1506-Y1510 HydrophobicContact CE2-CD2 4.36Å; F1506-Y1510 AromaticContact CE2-CE2 3.58Å; F1506-Y1510 HydrophobicContact CE2-CE2 3.58Å; F1506-Y1510 HydrophobicContact CG-CD2 4.49Å; F1506-Y1510 HydrophobicContact CG-CE2 4.38Å; F1506-Y1510 AromaticContact CZ-CD2 3.94Å; F1506-Y1510 HydrophobicContact CZ-CD2 3.94Å; F1506-Y1510 AromaticContact CZ-CE2 3.42Å; F1506-Y1510 HydrophobicContact CZ-CE2 3.42Å; F1506-Y1510 VanDerWaalsContact CZ-CE2 3.42Å; F1506-Y1510 VanDerWaalsContact O-CD2 3.24Å; F1506-Y1510 WeakPolarHBondContact O-CD2 3.47Å; F1506-L1519 HydrophobicContact CD1-CD1 4.5Å; F1506-L1519 HydrophobicContact CD1-CD2 4.18Å; F1506-L1519 HydrophobicContact CE1-CD2 4.05Å; F1506-W1619 AromaticContact CE2-CH2 3.76Å; F1506-W1619 HydrophobicContact CE2-CH2 3.76Å; F1506-W1619 AromaticContact CE2-CZ3 3.91Å; F1506-W1619 HydrophobicContact CE2-CZ3 3.91Å; F1506-W1619 HydrophobicContact CZ-CH2 4.29Å; F1506-L1620 HydrophobicContact CE1-CD2 4.4Å; F1506-L1620 HydrophobicContact CE2-CD2 4.1Å; F1506-L1620 HydrophobicContact CZ-CD1 4.22Å; F1506-L1620 HydrophobicContact CZ-CD2 3.48Å; F1506-L1620 VanDerWaalsContact CZ-CD2 3.48Å; F1506-L1620 HydrophobicContact CZ-CG 4.46Å; F1506-I1635 HydrophobicContact CE1-CD1 4.3Å; F1506-I1700 HydrophobicContact CD2-CD1 4.32Å; F1506-I1700 HydrophobicContact CE2-CD1 3.96Å; F1506-F1702 HydrophobicContact CE1-CZ 4.21Å |
| 1507 | Y | 82.3 | Confident | 81.4 | Confident | 65 Ų | 65 | 72.5 Ų | 72.5 | 26% | 0.255 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.1 | -37.9 | 175.9 | -171.4 | -88.8 | 0 | 0 | 0 | 112 | F1503 E1504 Y1510 V1516 L1519 | F1503-Y1507 WeakPolarHBondContact O-CB 3.44Å; F1503-Y1507 PolarHBondContact O-N 3.14Å; E1504-Y1507 PolarHBondContact O-N 2.98Å; Y1507-Y1510 PolarHBondContact O-N 3Å; Y1507-V1516 HydrophobicContact CE2-CG1 4.26Å; Y1507-V1516 VanDerWaalsContact OH-CG1 3.28Å; Y1507-V1516 WeakPolarHBondContact OH-CG1 3.5Å; Y1507-L1519 HydrophobicContact CD2-CB 3.86Å; Y1507-L1519 HydrophobicContact CD2-CD1 3.86Å; Y1507-L1519 HydrophobicContact CD2-CG 4.49Å; Y1507-L1519 HydrophobicContact CE2-CB 4.05Å |
| 1508 | A | 81.3 | Confident | 81.5 | Confident | 77 Ų | 77 | 70.7 Ų | 70.7 | 64% | 0.636 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -68.5 | -33.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1504 Q1505 F1506 Y1510 | E1504-A1508 WeakPolarHBondContact O-CB 3.34Å; E1504-A1508 PolarHBondContact O-N 2.63Å; Q1505-A1508 PolarHBondContact O-N 3.01Å; F1506-A1508 VanDerWaalsContact C-N 3.34Å; F1506-A1508 PolarHBondContact O-N 3.37Å; A1508-Y1510 VanDerWaalsContact C-N 3.32Å; A1508-Y1510 PolarHBondContact O-N 3.5Å |
| 1509 | N | 73.8 | Confident | 81.5 | Confident | 116 Ų | 116 | 70.3 Ų | 70.3 | 62% | 0.62 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -73 | -21 | 179.3 | -77 | -9.7 | 0 | 0 | 0 | 113.5 | Q1505 F1506 | Q1505-N1509 PolarHBondContact O-N 3.48Å; Q1505-N1509 VanDerWaalsContact O-N 3.09Å; F1506-N1509 PolarHBondContact O-N 3.4Å |
| 1510 | Y | 76.3 | Confident | 81.6 | Confident | 34 Ų | 34 | 75.2 Ų | 75.2 | 13% | 0.133 | 40% | 0.398 | C | S | . | . | trans | -116.2 | 92.3 | -178.4 | -64.1 | -68.6 | 0 | 0 | 0 | 112 | F1506 Y1507 A1508 W1619 I1635 I1639 | F1506-Y1510 HydrophobicContact CD1-CD2 4.15Å; F1506-Y1510 HydrophobicContact CD1-CE2 4.3Å; F1506-Y1510 HydrophobicContact CD2-CE2 4.05Å; F1506-Y1510 AromaticContact CE1-CD2 3.85Å; F1506-Y1510 HydrophobicContact CE1-CD2 3.85Å; F1506-Y1510 AromaticContact CE1-CE2 3.83Å; F1506-Y1510 HydrophobicContact CE1-CE2 3.83Å; F1506-Y1510 HydrophobicContact CE2-CD2 4.36Å; F1506-Y1510 AromaticContact CE2-CE2 3.58Å; F1506-Y1510 HydrophobicContact CE2-CE2 3.58Å; F1506-Y1510 HydrophobicContact CG-CD2 4.49Å; F1506-Y1510 HydrophobicContact CG-CE2 4.38Å; F1506-Y1510 AromaticContact CZ-CD2 3.94Å; F1506-Y1510 HydrophobicContact CZ-CD2 3.94Å; F1506-Y1510 AromaticContact CZ-CE2 3.42Å; F1506-Y1510 HydrophobicContact CZ-CE2 3.42Å; F1506-Y1510 VanDerWaalsContact CZ-CE2 3.42Å; F1506-Y1510 VanDerWaalsContact O-CD2 3.24Å; F1506-Y1510 WeakPolarHBondContact O-CD2 3.47Å; Y1507-Y1510 PolarHBondContact O-N 3Å; A1508-Y1510 VanDerWaalsContact C-N 3.32Å; A1508-Y1510 PolarHBondContact O-N 3.5Å; Y1510-W1619 WeakPolarHBondContact OH-CH2 3.13Å; Y1510-W1619 WeakPolarHBondContact OH-CZ2 3.23Å; Y1510-I1635 HydrophobicContact CD1-CG2 4.26Å; Y1510-I1635 HydrophobicContact CD2-CG2 4.33Å; Y1510-I1635 HydrophobicContact CE1-CG2 4.27Å; Y1510-I1635 HydrophobicContact CE2-CG2 4.36Å; Y1510-I1635 HydrophobicContact CG-CG2 4.3Å; Y1510-I1639 HydrophobicContact CD1-CG1 4.43Å; Y1510-I1639 HydrophobicContact CE1-CD1 3.76Å; Y1510-I1639 HydrophobicContact CE1-CG1 3.6Å | ||
| 1511 | S | 69.3 | Low | 81.5 | Confident | 114 Ų | 114 | 78 Ų | 78 | 80% | 0.797 | 40% | 0.404 | S | S | * | . | trans | -87.3 | -0.4 | -176.8 | 72 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1512 | S | 75.9 | Confident | 81.6 | Confident | 39 Ų | 39 | 75.8 Ų | 75.8 | 27% | 0.273 | 38% | 0.38 | S | S | . | . | trans | -70.4 | 141.8 | -176.6 | 89.5 | 0 | 0 | 0 | 0 | 111.8 | Q1514 A1515 V1516 A1638 | S1512-Q1514 VanDerWaalsContact C-N 3.27Å; S1512-Q1514 PolarHBondContact O-N 3.34Å; S1512-A1515 PolarHBondContact O-N 2.9Å; S1512-A1515 WeakPolarHBondContact OG-CB 3.12Å; S1512-A1515 PolarHBondContact OG-N 3.37Å; S1512-V1516 WeakPolarHBondContact O-CB 3.34Å; S1512-V1516 WeakPolarHBondContact O-CG2 3.35Å; S1512-V1516 PolarHBondContact O-N 2.92Å; S1512-A1638 VanDerWaalsContact OG-CB 3.26Å; S1512-A1638 WeakPolarHBondContact OG-CB 3.44Å | ||
| 1513 | K | 80.2 | Confident | 81.7 | Confident | 190 Ų | 190 | 74.8 Ų | 74.8 | 83% | 0.826 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -58.5 | -37.6 | -176 | -171.7 | 178.5 | 179.6 | -178 | 0 | 113 | S1517 | K1513-S1517 PolarHBondContact O-N 3.42Å; K1513-S1517 PolarHBondContact O-OG 3.36Å |
| 1514 | Q | 79.1 | Confident | 81.7 | Confident | 126 Ų | 126 | 76 Ų | 76 | 59% | 0.589 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -72.5 | -39.6 | 179.3 | -70.1 | 176.2 | -15.4 | 0 | 0 | 111.9 | S1512 S1517 F1518 | S1512-Q1514 VanDerWaalsContact C-N 3.27Å; S1512-Q1514 PolarHBondContact O-N 3.34Å; Q1514-S1517 PolarHBondContact O-OG 3.11Å; Q1514-F1518 WeakPolarHBondContact O-CB 3.43Å; Q1514-F1518 PolarHBondContact O-N 3.15Å; Q1514-F1518 VanDerWaalsContact O-N 3.15Å |
| 1515 | A | 80.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.7 | -43.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | S1512 S1517 F1518 L1519 I1635 A1638 | S1512-A1515 PolarHBondContact O-N 2.9Å; S1512-A1515 WeakPolarHBondContact OG-CB 3.12Å; S1512-A1515 PolarHBondContact OG-N 3.37Å; A1515-S1517 PolarHBondContact O-N 3.37Å; A1515-F1518 PolarHBondContact O-N 3.24Å; A1515-L1519 WeakPolarHBondContact O-CB 3.13Å; A1515-L1519 VanDerWaalsContact O-CG 3.24Å; A1515-L1519 WeakPolarHBondContact O-CG 3.36Å; A1515-L1519 PolarHBondContact O-N 3.05Å; A1515-I1635 HydrophobicContact CB-CG1 4.39Å; A1515-A1638 HydrophobicContact CB-CB 4.41Å |
| 1516 | V | 84.9 | Confident | 81.9 | Confident | 31 Ų | 31 | 66.7 Ų | 66.7 | 19% | 0.188 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 178.2 | 169.6 | 0 | 0 | 0 | 0 | 112.4 | Y1507 S1512 L1519 R1520 | Y1507-V1516 HydrophobicContact CE2-CG1 4.26Å; Y1507-V1516 VanDerWaalsContact OH-CG1 3.28Å; Y1507-V1516 WeakPolarHBondContact OH-CG1 3.5Å; S1512-V1516 WeakPolarHBondContact O-CB 3.34Å; S1512-V1516 WeakPolarHBondContact O-CG2 3.35Å; S1512-V1516 PolarHBondContact O-N 2.92Å; V1516-L1519 PolarHBondContact O-N 2.71Å; V1516-R1520 WeakPolarHBondContact O-CG 3.13Å; V1516-R1520 PolarHBondContact O-N 2.91Å; V1516-R1520 VanDerWaalsContact O-N 3.13Å |
| 1517 | S | 84.9 | Confident | 82.4 | Confident | 62 Ų | 62 | 65.6 Ų | 65.6 | 43% | 0.434 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 177.1 | 57.7 | 0 | 0 | 0 | 0 | 111.9 | K1513 Q1514 A1515 R1520 | K1513-S1517 PolarHBondContact O-N 3.42Å; K1513-S1517 PolarHBondContact O-OG 3.36Å; Q1514-S1517 PolarHBondContact O-OG 3.11Å; A1515-S1517 PolarHBondContact O-N 3.37Å; S1517-R1520 PolarHBondContact O-N 2.95Å |
| 1518 | F | 87.7 | Confident | 82.8 | Confident | 29 Ų | 29 | 62.6 Ų | 62.6 | 13% | 0.127 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.1 | -44.8 | 176.9 | 177.5 | -96 | 0 | 0 | 0 | 111.8 | Q1514 A1515 R1520 E1521 Y1522 V1622 A1632 S1634 I1635 F1702 | Q1514-F1518 WeakPolarHBondContact O-CB 3.43Å; Q1514-F1518 PolarHBondContact O-N 3.15Å; Q1514-F1518 VanDerWaalsContact O-N 3.15Å; A1515-F1518 PolarHBondContact O-N 3.24Å; F1518-R1520 PolarHBondContact O-N 3.22Å; F1518-E1521 PolarHBondContact O-N 3.2Å; F1518-E1521 VanDerWaalsContact O-N 3.13Å; F1518-Y1522 HydrophobicContact CD2-CE2 4.38Å; F1518-Y1522 HydrophobicContact CE1-CD2 4.38Å; F1518-Y1522 HydrophobicContact CE1-CE2 4.17Å; F1518-Y1522 AromaticContact CE2-CE2 3.76Å; F1518-Y1522 HydrophobicContact CE2-CE2 3.76Å; F1518-Y1522 HydrophobicContact CZ-CD2 4.27Å; F1518-Y1522 AromaticContact CZ-CE2 3.62Å; F1518-Y1522 HydrophobicContact CZ-CE2 3.62Å; F1518-V1622 HydrophobicContact CE2-CG2 4.16Å; F1518-V1622 HydrophobicContact CZ-CG2 3.58Å; F1518-A1632 HydrophobicContact CE1-CB 4.12Å; F1518-A1632 HydrophobicContact CZ-CB 4.22Å; F1518-S1634 VanDerWaalsContact CB-OG 3.3Å; F1518-S1634 WeakPolarHBondContact CB-OG 3.09Å; F1518-S1634 WeakPolarHBondContact CD1-OG 3.21Å; F1518-S1634 VanDerWaalsContact CD2-OG 3.28Å; F1518-S1634 WeakPolarHBondContact CD2-OG 3.12Å; F1518-S1634 WeakPolarHBondContact CG-OG 2.94Å; F1518-I1635 HydrophobicContact CD1-CD1 3.68Å; F1518-I1635 HydrophobicContact CD1-CG1 3.83Å; F1518-I1635 HydrophobicContact CE1-CD1 3.75Å; F1518-I1635 HydrophobicContact CE1-CG1 4.25Å; F1518-F1702 HydrophobicContact CE1-CD1 4.11Å; F1518-F1702 AromaticContact CE1-CD2 3.86Å; F1518-F1702 HydrophobicContact CE1-CD2 3.86Å; F1518-F1702 HydrophobicContact CE1-CE1 4.28Å; F1518-F1702 HydrophobicContact CE1-CE2 4.05Å; F1518-F1702 AromaticContact CE1-CG 3.93Å; F1518-F1702 HydrophobicContact CE1-CG 3.93Å; F1518-F1702 HydrophobicContact CE1-CZ 4.27Å; F1518-F1702 HydrophobicContact CZ-CB 4.36Å; F1518-F1702 HydrophobicContact CZ-CD2 4.2Å; F1518-F1702 HydrophobicContact CZ-CG 4.17Å |
| 1519 | L | 86.2 | Confident | 83.1 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.5 | -25.3 | 178.1 | -72.2 | 171.5 | 0 | 0 | 0 | 113.2 | F1503 F1506 Y1507 A1515 V1516 E1521 Y1522 I1635 F1702 | F1503-L1519 HydrophobicContact CE2-CD2 4.2Å; F1503-L1519 HydrophobicContact CZ-CD2 4.25Å; F1506-L1519 HydrophobicContact CD1-CD1 4.5Å; F1506-L1519 HydrophobicContact CD1-CD2 4.18Å; F1506-L1519 HydrophobicContact CE1-CD2 4.05Å; Y1507-L1519 HydrophobicContact CD2-CB 3.86Å; Y1507-L1519 HydrophobicContact CD2-CD1 3.86Å; Y1507-L1519 HydrophobicContact CD2-CG 4.49Å; Y1507-L1519 HydrophobicContact CE2-CB 4.05Å; A1515-L1519 WeakPolarHBondContact O-CB 3.13Å; A1515-L1519 VanDerWaalsContact O-CG 3.24Å; A1515-L1519 WeakPolarHBondContact O-CG 3.36Å; A1515-L1519 PolarHBondContact O-N 3.05Å; V1516-L1519 PolarHBondContact O-N 2.71Å; L1519-E1521 VanDerWaalsContact C-N 3.31Å; L1519-E1521 PolarHBondContact O-N 2.81Å; L1519-Y1522 VanDerWaalsContact O-O 3.13Å; L1519-I1635 HydrophobicContact CD2-CD1 3.94Å; L1519-I1635 HydrophobicContact CG-CD1 4.34Å; L1519-F1702 HydrophobicContact CD2-CE1 3.62Å; L1519-F1702 HydrophobicContact CD2-CZ 3.88Å |
| 1520 | R | 87.1 | Confident | 83.9 | Confident | 195 Ų | 195 | 55.8 Ų | 55.8 | 74% | 0.736 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -21.2 | 175.8 | -83.4 | -177.8 | 178.1 | -171.4 | -1.5 | 114.3 | V1516 S1517 F1518 Y1522 | V1516-R1520 WeakPolarHBondContact O-CG 3.13Å; V1516-R1520 PolarHBondContact O-N 2.91Å; V1516-R1520 VanDerWaalsContact O-N 3.13Å; S1517-R1520 PolarHBondContact O-N 2.95Å; F1518-R1520 PolarHBondContact O-N 3.22Å; R1520-Y1522 VanDerWaalsContact C-N 3.26Å |
| 1521 | E | 84.7 | Confident | 84.5 | Confident | 144 Ų | 144 | 55.2 Ų | 55.2 | 67% | 0.673 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -19.9 | 179.9 | -66.9 | 175.5 | -178.3 | 0 | 0 | 112 | F1518 L1519 | F1518-E1521 PolarHBondContact O-N 3.2Å; F1518-E1521 VanDerWaalsContact O-N 3.13Å; L1519-E1521 VanDerWaalsContact C-N 3.31Å; L1519-E1521 PolarHBondContact O-N 2.81Å |
| 1522 | Y | 86.7 | Confident | 85.5 | Confident | 26 Ų | 26 | 49.9 Ų | 49.9 | 10% | 0.102 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -113.3 | 139.8 | -176.7 | -63 | -83.5 | 0 | 0 | 0 | 111.9 | F1518 L1519 R1520 D1526 F1702 D1704 | F1518-Y1522 HydrophobicContact CD2-CE2 4.38Å; F1518-Y1522 HydrophobicContact CE1-CD2 4.38Å; F1518-Y1522 HydrophobicContact CE1-CE2 4.17Å; F1518-Y1522 AromaticContact CE2-CE2 3.76Å; F1518-Y1522 HydrophobicContact CE2-CE2 3.76Å; F1518-Y1522 HydrophobicContact CZ-CD2 4.27Å; F1518-Y1522 AromaticContact CZ-CE2 3.62Å; F1518-Y1522 HydrophobicContact CZ-CE2 3.62Å; L1519-Y1522 VanDerWaalsContact O-O 3.13Å; R1520-Y1522 VanDerWaalsContact C-N 3.26Å; Y1522-D1526 HydrophobicContact CD1-CB 4.17Å; Y1522-F1702 HydrophobicContact CD1-CB 4.06Å; Y1522-F1702 HydrophobicContact CD2-CB 4.19Å; Y1522-F1702 HydrophobicContact CD2-CD1 4.03Å; Y1522-F1702 HydrophobicContact CD2-CG 4.43Å; Y1522-F1702 HydrophobicContact CE1-CB 3.96Å; Y1522-F1702 HydrophobicContact CE2-CB 4.09Å; Y1522-F1702 HydrophobicContact CG-CB 4.18Å; Y1522-F1702 HydrophobicContact CG-CD1 4.05Å; Y1522-D1704 VanDerWaalsContact CE1-OD1 3.25Å; Y1522-D1704 WeakPolarHBondContact CE1-OD1 3.26Å; Y1522-D1704 PolarHBondContact OH-OD1 3.36Å |
| 1523 | S | 84.7 | Confident | 86 | Confident | 31 Ų | 31 | 53.8 Ų | 53.8 | 22% | 0.217 | 25% | 0.253 | C | S | . | . | trans | -85 | 160.9 | 169.3 | 70.6 | 0 | 0 | 0 | 0 | 111.2 | S1525 D1526 T1527 | S1523-S1525 PolarHBondContact O-N 3.45Å; S1523-S1525 PolarHBondContact OG-OG 3.25Å; S1523-D1526 WeakPolarHBondContact CB-OD2 3.47Å; S1523-D1526 PolarHBondContact N-OD2 2.67Å; S1523-D1526 WeakPolarHBondContact O-CA 3.44Å; S1523-D1526 PolarHBondContact O-N 2.8Å; S1523-D1526 PolarHBondContact OG-N 3.19Å; S1523-D1526 PolarHBondContact OG-OD2 2.62Å; S1523-T1527 PolarHBondContact O-N 3.4Å | ||
| 1524 | P | 84.9 | Confident | 86.3 | Confident | 40 Ų | 40 | 49.2 Ų | 49.2 | 26% | 0.26 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -53 | -32.1 | 173.3 | -25.4 | 32.6 | 0 | 0 | 0 | 112.6 | F1503 T1527 | F1503-P1524 HydrophobicContact CB-CB 4.06Å; F1503-P1524 HydrophobicContact CB-CG 4.24Å; F1503-P1524 HydrophobicContact CD1-CB 4.44Å; F1503-P1524 HydrophobicContact CD1-CG 3.85Å; F1503-P1524 HydrophobicContact CE1-CG 4.44Å; F1503-P1524 HydrophobicContact CG-CB 4.16Å; F1503-P1524 HydrophobicContact CG-CG 4.07Å; P1524-T1527 PolarHBondContact O-N 3.21Å; P1524-T1527 PolarHBondContact O-OG1 3.27Å |
| 1525 | S | 84.6 | Confident | 86.7 | Confident | 47 Ų | 47 | 48.7 Ų | 48.7 | 33% | 0.329 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -75.6 | -21.4 | 175.9 | 59.3 | 0 | 0 | 0 | 0 | 115 | R1467 S1523 T1527 | R1467-S1525 PolarHBondContact NH1-OG 2.94Å; S1523-S1525 PolarHBondContact O-N 3.45Å; S1523-S1525 PolarHBondContact OG-OG 3.25Å; S1525-T1527 VanDerWaalsContact C-N 3.27Å |
| 1526 | D | 86.8 | Confident | 87.1 | Confident | 11 Ų | 11 | 49.3 Ų | 49.3 | 6% | 0.059 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -87 | -2.2 | 175 | -57 | -40.9 | 0 | 0 | 0 | 111 | Y1522 S1523 V1703 R1705 | Y1522-D1526 HydrophobicContact CD1-CB 4.17Å; S1523-D1526 WeakPolarHBondContact CB-OD2 3.47Å; S1523-D1526 PolarHBondContact N-OD2 2.67Å; S1523-D1526 WeakPolarHBondContact O-CA 3.44Å; S1523-D1526 PolarHBondContact O-N 2.8Å; S1523-D1526 PolarHBondContact OG-N 3.19Å; S1523-D1526 PolarHBondContact OG-OD2 2.62Å; D1526-V1703 WeakPolarHBondContact O-CB 3.44Å; D1526-V1703 PolarHBondContact O-N 3.04Å; D1526-R1705 IonicContact OD1-NE 2.81Å; D1526-R1705 IonicContact OD2-NE 3.75Å; D1526-R1705 IonicContact OD2-NH2 3.9Å; D1526-R1705 PolarHBondContact OD2-NH2 2.95Å |
| 1527 | T | 89.7 | Confident | 87.2 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 122.8 | 177.5 | 61.2 | 0 | 0 | 0 | 0 | 112.1 | P1497 L1498 F1503 S1523 P1524 S1525 F1702 | P1497-T1527 CarbonylContact C-O 3.32Å; P1497-T1527 VanDerWaalsContact CA-O 3.25Å; P1497-T1527 WeakPolarHBondContact CA-O 3.45Å; L1498-T1527 PolarHBondContact N-O 2.91Å; F1503-T1527 HydrophobicContact CD2-CG2 4.02Å; F1503-T1527 HydrophobicContact CE2-CG2 3.57Å; S1523-T1527 PolarHBondContact O-N 3.4Å; P1524-T1527 PolarHBondContact O-N 3.21Å; P1524-T1527 PolarHBondContact O-OG1 3.27Å; S1525-T1527 VanDerWaalsContact C-N 3.27Å; T1527-F1702 HydrophobicContact CG2-CD1 3.38Å; T1527-F1702 HydrophobicContact CG2-CE1 3.6Å; T1527-F1702 HydrophobicContact CG2-CG 4.4Å |
| 1528 | V | 89 | Confident | 87.2 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 129.9 | -170.9 | -179.4 | 0 | 0 | 0 | 0 | 110.5 | L1469 I1495 I1700 A1701 V1703 | L1469-V1528 HydrophobicContact CD2-CG2 3.41Å; L1469-V1528 VanDerWaalsContact CD2-CG2 3.41Å; I1495-V1528 HydrophobicContact CG2-CG1 3.27Å; V1528-I1700 CarbonylContact O-C 3.52Å; V1528-I1700 WeakPolarHBondContact O-CA 3.34Å; V1528-A1701 PolarHBondContact N-O 2.95Å; V1528-A1701 PolarHBondContact O-N 3.42Å; V1528-V1703 HydrophobicContact CB-CG2 4.38Å; V1528-V1703 HydrophobicContact CG2-CG2 3.77Å |
| 1529 | R | 89.3 | Confident | 87.2 | Confident | 49 Ų | 49 | 54.4 Ų | 54.4 | 19% | 0.185 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 118.8 | 169.8 | -179.9 | -169.7 | -74.4 | 135.5 | 10.9 | 109.7 | I1495 K1496 L1498 E1502 M1531 E1698 I1699 | I1495-R1529 WeakPolarHBondContact CA-O 3.47Å; K1496-R1529 PolarHBondContact N-O 2.99Å; K1496-R1529 PolarHBondContact O-N 3.16Å; L1498-R1529 HydrophobicContact CD1-CB 3.88Å; E1502-R1529 IonicContact OE1-NH1 2.8Å; E1502-R1529 IonicContact OE2-CZ 2.74Å; E1502-R1529 IonicContact OE2-NH1 3.7Å; E1502-R1529 PolarHBondContact OE2-NH1 3.47Å; E1502-R1529 IonicContact OE2-NH2 3.37Å; E1502-R1529 PolarHBondContact OE2-NH2 2.79Å; R1529-M1531 HydrophobicContact CG-CE 4.34Å; R1529-M1531 HydrophobicContact CG-CG 4.03Å; R1529-E1698 VanDerWaalsContact CD-OE1 3.25Å; R1529-E1698 WeakPolarHBondContact CD-OE1 3.5Å; R1529-E1698 HydrophobicContact CG-CG 3.96Å; R1529-E1698 WeakPolarHBondContact CG-OE1 3.31Å; R1529-E1698 IonicContact CZ-OE1 2.7Å; R1529-E1698 IonicContact NE-OE1 3.21Å; R1529-E1698 PolarHBondContact NE-OE1 3.32Å; R1529-I1699 CarbonylContact C-O 3.24Å; R1529-I1699 WeakPolarHBondContact CA-O 3.49Å |
| 1530 | S | 89.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 123.8 | 169.7 | -66.6 | 0 | 0 | 0 | 0 | 110.4 | F1494 F1568 E1698 I1699 | F1494-S1530 CarbonylContact O-C 3.55Å; F1494-S1530 WeakPolarHBondContact O-CA 3.36Å; S1530-F1568 WeakPolarHBondContact OG-CE1 3.31Å; S1530-E1698 WeakPolarHBondContact O-CA 3.19Å; S1530-I1699 PolarHBondContact N-O 3.45Å; S1530-I1699 PolarHBondContact O-N 3.44Å |
| 1531 | M | 89 | Confident | 87.2 | Confident | 23 Ų | 23 | 49.8 Ų | 49.8 | 11% | 0.113 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 127.6 | -178.6 | -66.2 | 175.8 | -98.2 | 0 | 0 | 110.4 | F1494 K1496 R1529 Y1695 | F1494-M1531 PolarHBondContact O-N 3.5Å; K1496-M1531 HydrophobicContact CD-CE 4.07Å; R1529-M1531 HydrophobicContact CG-CE 4.34Å; R1529-M1531 HydrophobicContact CG-CG 4.03Å; M1531-Y1695 HydrophobicContact CB-CD1 4.46Å; M1531-Y1695 HydrophobicContact CB-CG 4.48Å; M1531-Y1695 HydrophobicContact SD-CD2 4.23Å; M1531-Y1695 HydrophobicContact SD-CE2 4.07Å |
| 1532 | Y | 89.3 | Confident | 87.3 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 151.8 | 177 | -47.2 | -88.5 | 0 | 0 | 0 | 112.2 | S1473 F1475 V1488 A1490 G1696 L1697 I1699 | S1473-Y1532 PolarHBondContact OG-OH 3.25Å; F1475-Y1532 HydrophobicContact CB-CD1 4.02Å; F1475-Y1532 HydrophobicContact CB-CE1 3.68Å; F1475-Y1532 HydrophobicContact CB-CE2 4.24Å; F1475-Y1532 HydrophobicContact CB-CG 4.41Å; V1488-Y1532 HydrophobicContact CG1-CD1 3.53Å; V1488-Y1532 HydrophobicContact CG1-CE1 4.41Å; V1488-Y1532 HydrophobicContact CG1-CG 3.87Å; V1488-Y1532 HydrophobicContact CG2-CD1 4.41Å; A1490-Y1532 HydrophobicContact CB-CD1 3.87Å; A1490-Y1532 HydrophobicContact CB-CE1 3.83Å; Y1532-G1696 PolarHBondContact O-N 2.95Å; Y1532-L1697 HydrophobicContact CD2-CB 3.9Å; Y1532-L1697 HydrophobicContact CG-CB 4.47Å; Y1532-L1697 PolarHBondContact N-O 2.98Å; Y1532-L1697 PolarHBondContact O-N 3.42Å; Y1532-I1699 HydrophobicContact CE2-CB 4.45Å; Y1532-I1699 HydrophobicContact CE2-CD1 3.7Å; Y1532-I1699 HydrophobicContact CE2-CG1 3.9Å |
| 1533 | R | 87 | Confident | 87.3 | Confident | 121 Ų | 121 | 46.1 Ų | 46.1 | 46% | 0.457 | 25% | 0.254 | S | S | . | . | trans | -67.9 | 164.6 | -178.5 | -63.9 | 179.1 | -167.9 | 159.1 | -0.4 | 111.8 | Y1486 V1488 D1537 | Y1486-R1533 PolarHBondContact OH-O 3.25Å; V1488-R1533 HydrophobicContact CG2-CB 4.27Å; R1533-D1537 IonicContact CZ-OD1 2.78Å; R1533-D1537 IonicContact NH1-OD1 3.11Å; R1533-D1537 PolarHBondContact NH1-OD1 3.17Å | ||
| 1534 | R | 86.5 | Confident | 87.3 | Confident | 94 Ų | 94 | 48.1 Ų | 48.1 | 36% | 0.355 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -76.9 | -42.7 | 175.5 | -83.7 | -175.6 | -175.8 | -171.2 | -1.2 | 113.1 | Y1486 E1670 V1671 S1694 Y1695 | Y1486-R1534 VanDerWaalsContact CE2-O 3.31Å; Y1486-R1534 WeakPolarHBondContact CE2-O 3.23Å; R1534-E1670 HydrophobicContact CB-CG 4.14Å; R1534-E1670 CarbonylContact O-C 3.59Å; R1534-E1670 WeakPolarHBondContact O-CA 3.3Å; R1534-V1671 PolarHBondContact O-N 3.26Å; R1534-S1694 WeakPolarHBondContact CD-O 3.2Å; R1534-S1694 WeakPolarHBondContact CG-O 3.24Å; R1534-S1694 PolarHBondContact NE-O 3.1Å; R1534-S1694 PolarHBondContact NE-OG 3.06Å; R1534-S1694 PolarHBondContact NH1-OG 3.08Å; R1534-S1694 VanDerWaalsContact NH1-OG 3.15Å; R1534-S1694 PolarHBondContact NH2-OG 3.5Å; R1534-Y1695 PolarHBondContact NE-O 3.49Å |
| 1535 | E | 87.6 | Confident | 87.4 | Confident | 114 Ų | 114 | 50.5 Ų | 50.5 | 53% | 0.533 | 29% | 0.288 | S | S | . | . | B | Isolated β-bridge | trans | -84.1 | 146.4 | 178.6 | -62.9 | 171 | 173.6 | 0 | 0 | 110.2 | Y1486 | Y1486-E1535 VanDerWaalsContact CE2-C 3.45Å; Y1486-E1535 WeakPolarHBondContact CE2-O 3.34Å |
| 1536 | S | 89.1 | Confident | 87.5 | Confident | 14 Ų | 14 | 49 Ų | 49 | 10% | 0.098 | 28% | 0.28 | C | S | . | . | trans | -65 | 138 | 172.1 | -179.4 | 0 | 0 | 0 | 0 | 110.5 | A1487 T1538 W1669 | A1487-S1536 PolarHBondContact N-OG 3.46Å; A1487-S1536 VanDerWaalsContact N-OG 3.09Å; A1487-S1536 PolarHBondContact O-OG 2.87Å; S1536-T1538 WeakPolarHBondContact CB-O 3.5Å; S1536-T1538 PolarHBondContact O-N 2.83Å; S1536-T1538 PolarHBondContact OG-N 3.25Å; S1536-T1538 PolarHBondContact OG-O 3.34Å; S1536-T1538 PolarHBondContact OG-OG1 2.92Å; S1536-W1669 PolarHBondContact N-O 3.34Å | ||
| 1537 | D | 87.3 | Confident | 87.5 | Confident | 74 Ų | 74 | 50.7 Ų | 50.7 | 40% | 0.396 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -68.4 | -17.2 | 172.4 | -71.9 | -32.5 | 0 | 0 | 0 | 111.5 | A1487 V1488 E1489 R1533 | A1487-D1537 PolarHBondContact O-N 3.42Å; V1488-D1537 WeakPolarHBondContact CA-OD2 3.36Å; E1489-D1537 PolarHBondContact N-OD2 3.44Å; E1489-D1537 VanDerWaalsContact N-OD2 3.14Å; R1533-D1537 IonicContact CZ-OD1 2.78Å; R1533-D1537 IonicContact NH1-OD1 3.11Å; R1533-D1537 PolarHBondContact NH1-OD1 3.17Å |
| 1538 | T | 85.7 | Confident | 87.4 | Confident | 63 Ų | 63 | 56.8 Ų | 56.8 | 39% | 0.387 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -116.1 | 137.8 | 177.6 | 63.4 | 0 | 0 | 0 | 0 | 112.2 | A1487 S1536 | A1487-T1538 HydrophobicContact CB-CG2 4.41Å; S1536-T1538 WeakPolarHBondContact CB-O 3.5Å; S1536-T1538 PolarHBondContact O-N 2.83Å; S1536-T1538 PolarHBondContact OG-N 3.25Å; S1536-T1538 PolarHBondContact OG-O 3.34Å; S1536-T1538 PolarHBondContact OG-OG1 2.92Å |
| 1539 | V | 86.9 | Confident | 87.5 | Confident | 92 Ų | 92 | 58.6 Ų | 58.6 | 56% | 0.558 | 33% | 0.33 | S | S | * | . | trans | -66.6 | 147.8 | 170.7 | -174.1 | 0 | 0 | 0 | 0 | 110.1 | A1541 Q1667 | V1539-A1541 PolarHBondContact O-N 3.31Å; V1539-Q1667 WeakPolarHBondContact CG1-O 3.32Å | ||
| 1540 | W | 89.3 | Confident | 87.5 | Confident | 10 Ų | 10 | 56.2 Ų | 56.2 | 4% | 0.038 | 32% | 0.321 | C | S | . | . | trans | -74.6 | 93.3 | -178.8 | -172 | 43.4 | 0 | 0 | 0 | 111.3 | L1485 I1542 K1547 L1550 L1604 L1655 Q1667 W1669 | L1485-W1540 HydrophobicContact CD2-CZ2 4.06Å; W1540-I1542 HydrophobicContact CD2-CB 4Å; W1540-I1542 HydrophobicContact CD2-CG2 3.52Å; W1540-I1542 HydrophobicContact CE3-CB 4.48Å; W1540-I1542 HydrophobicContact CE3-CG2 3.52Å; W1540-I1542 HydrophobicContact CG-CB 4.49Å; W1540-I1542 HydrophobicContact CG-CG2 4.3Å; W1540-I1542 HydrophobicContact CH2-CB 4.39Å; W1540-I1542 HydrophobicContact CH2-CD1 3.84Å; W1540-I1542 HydrophobicContact CH2-CG2 3.68Å; W1540-I1542 HydrophobicContact CZ2-CB 3.91Å; W1540-I1542 HydrophobicContact CZ2-CD1 3.3Å; W1540-I1542 HydrophobicContact CZ2-CG1 4.2Å; W1540-I1542 HydrophobicContact CZ2-CG2 3.68Å; W1540-I1542 HydrophobicContact CZ3-CG2 3.6Å; W1540-I1542 PolarHBondContact O-N 3.44Å; W1540-K1547 HydrophobicContact CH2-CG 4.32Å; W1540-K1547 HydrophobicContact CZ3-CD 4.29Å; W1540-L1550 HydrophobicContact CH2-CD2 4.1Å; W1540-L1550 HydrophobicContact CZ2-CD2 3.77Å; W1540-L1604 HydrophobicContact CH2-CD2 3.64Å; W1540-L1604 HydrophobicContact CZ3-CD2 4.29Å; W1540-L1655 HydrophobicContact CE3-CD1 3.99Å; W1540-L1655 HydrophobicContact CZ3-CD1 4.21Å; W1540-L1655 HydrophobicContact CZ3-CD2 4.49Å; W1540-Q1667 WeakPolarHBondContact CB-O 3.45Å; W1540-Q1667 HydrophobicContact CE3-CB 4.2Å; W1540-Q1667 PolarHBondContact N-O 3.44Å; W1540-W1669 AromaticContact CD1-CD1 3.97Å; W1540-W1669 AromaticContact CD1-NE1 3.7Å; W1540-W1669 AromaticContact CD2-CD1 4Å; W1540-W1669 AromaticContact CD2-NE1 3.21Å; W1540-W1669 AromaticContact CE2-NE1 3.46Å; W1540-W1669 AromaticContact CE3-NE1 3.6Å; W1540-W1669 AromaticContact CG-CD1 3.68Å; W1540-W1669 AromaticContact CG-NE1 3.39Å; W1540-W1669 HydrophobicContact CH2-CZ2 4.15Å; W1540-W1669 HydrophobicContact CZ2-CZ2 4.25Å; W1540-W1669 HydrophobicContact CZ3-CZ2 4.31Å; W1540-W1669 AromaticContact NE1-NE1 3.76Å | ||
| 1541 | A | 84.4 | Confident | 87.5 | Confident | 88 Ų | 88 | 60.1 Ų | 60.1 | 73% | 0.727 | 34% | 0.336 | S | S | * | . | trans | -77.1 | 40.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | V1539 | V1539-A1541 PolarHBondContact O-N 3.31Š| ||
| 1542 | I | 87.2 | Confident | 87.4 | Confident | 25 Ų | 25 | 63.7 Ų | 63.7 | 13% | 0.128 | 36% | 0.356 | C | S | . | . | trans | -77.1 | 132.2 | 175.4 | -162.1 | 164 | 0 | 0 | 0 | 110.3 | F1482 W1540 K1547 L1550 | F1482-I1542 HydrophobicContact CD1-CD1 4.23Å; W1540-I1542 HydrophobicContact CD2-CB 4Å; W1540-I1542 HydrophobicContact CD2-CG2 3.52Å; W1540-I1542 HydrophobicContact CE3-CB 4.48Å; W1540-I1542 HydrophobicContact CE3-CG2 3.52Å; W1540-I1542 HydrophobicContact CG-CB 4.49Å; W1540-I1542 HydrophobicContact CG-CG2 4.3Å; W1540-I1542 HydrophobicContact CH2-CB 4.39Å; W1540-I1542 HydrophobicContact CH2-CD1 3.84Å; W1540-I1542 HydrophobicContact CH2-CG2 3.68Å; W1540-I1542 HydrophobicContact CZ2-CB 3.91Å; W1540-I1542 HydrophobicContact CZ2-CD1 3.3Å; W1540-I1542 HydrophobicContact CZ2-CG1 4.2Å; W1540-I1542 HydrophobicContact CZ2-CG2 3.68Å; W1540-I1542 HydrophobicContact CZ3-CG2 3.6Å; W1540-I1542 PolarHBondContact O-N 3.44Å; I1542-K1547 HydrophobicContact CD1-CB 4.13Å; I1542-K1547 HydrophobicContact CG1-CB 4.24Å; I1542-K1547 HydrophobicContact CG2-CB 4.11Å; I1542-L1550 HydrophobicContact CD1-CB 4.29Å; I1542-L1550 HydrophobicContact CD1-CD2 4.08Å | ||
| 1543 | S | 85.7 | Confident | 87.3 | Confident | 69 Ų | 69 | 67.3 Ų | 67.3 | 48% | 0.483 | 37% | 0.373 | S | S | . | . | trans | -70.6 | 151.3 | 172.4 | 62.4 | 0 | 0 | 0 | 0 | 110 | P1545 G1546 K1547 | S1543-P1545 VanDerWaalsContact C-N 3.35Å; S1543-G1546 CarbonylContact O-C 3.49Å; S1543-G1546 WeakPolarHBondContact O-CA 3.37Å; S1543-G1546 PolarHBondContact O-N 2.83Å; S1543-G1546 PolarHBondContact OG-N 3.35Å; S1543-K1547 PolarHBondContact O-N 3.05Å | ||
| 1544 | A | 83.9 | Confident | 87.2 | Confident | 73 Ų | 73 | 61.6 Ų | 61.6 | 60% | 0.603 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -49.3 | -48.2 | 173 | 0 | 0 | 0 | 0 | 0 | 113.3 | G1546 K1547 E1548 | A1544-G1546 VanDerWaalsContact C-N 3.31Å; A1544-G1546 PolarHBondContact O-N 2.81Å; A1544-K1547 PolarHBondContact O-N 2.88Å; A1544-E1548 PolarHBondContact O-N 3.41Å |
| 1545 | P | 87.5 | Confident | 87.1 | Confident | 89 Ų | 89 | 61.6 Ų | 61.6 | 58% | 0.578 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -66 | -30.7 | 173.7 | 24.1 | -34.1 | 0 | 0 | 0 | 113.1 | S1543 A1549 | S1543-P1545 VanDerWaalsContact C-N 3.35Å; P1545-A1549 VanDerWaalsContact O-CB 3.26Å; P1545-A1549 WeakPolarHBondContact O-CB 3.34Å; P1545-A1549 PolarHBondContact O-N 3.39Å |
| 1546 | G | 87.7 | Confident | 86.9 | Confident | 15 Ų | 15 | 57.9 Ų | 57.9 | 16% | 0.155 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.3 | -38.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1482 S1543 A1544 A1549 L1550 | F1482-G1546 WeakPolarHBondContact CE1-O 2.95Å; S1543-G1546 CarbonylContact O-C 3.49Å; S1543-G1546 WeakPolarHBondContact O-CA 3.37Å; S1543-G1546 PolarHBondContact O-N 2.83Å; S1543-G1546 PolarHBondContact OG-N 3.35Å; A1544-G1546 VanDerWaalsContact C-N 3.31Å; A1544-G1546 PolarHBondContact O-N 2.81Å; G1546-A1549 PolarHBondContact O-N 3.3Å; G1546-L1550 WeakPolarHBondContact O-CB 3.34Å; G1546-L1550 PolarHBondContact O-N 2.86Å |
| 1547 | K | 86.9 | Confident | 86.5 | Confident | 48 Ų | 48 | 62.4 Ų | 62.4 | 21% | 0.209 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.3 | -41.4 | 176.5 | -173.4 | 174.7 | 179.5 | 172.3 | 0 | 110.8 | W1540 I1542 S1543 A1544 L1550 Y1551 | W1540-K1547 HydrophobicContact CH2-CG 4.32Å; W1540-K1547 HydrophobicContact CZ3-CD 4.29Å; I1542-K1547 HydrophobicContact CD1-CB 4.13Å; I1542-K1547 HydrophobicContact CG1-CB 4.24Å; I1542-K1547 HydrophobicContact CG2-CB 4.11Å; S1543-K1547 PolarHBondContact O-N 3.05Å; A1544-K1547 PolarHBondContact O-N 2.88Å; K1547-L1550 PolarHBondContact O-N 2.92Å; K1547-Y1551 WeakPolarHBondContact O-CB 3.35Å; K1547-Y1551 PolarHBondContact O-N 2.94Å |
| 1548 | E | 87.8 | Confident | 86.2 | Confident | 128 Ų | 128 | 62.7 Ų | 62.7 | 60% | 0.598 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64 | -41.1 | 171.4 | -74 | 179.6 | -176.8 | 0 | 0 | 111.6 | A1544 L1550 Y1551 N1552 | A1544-E1548 PolarHBondContact O-N 3.41Å; E1548-L1550 PolarHBondContact O-N 3.4Å; E1548-Y1551 PolarHBondContact O-N 3.1Å; E1548-N1552 VanDerWaalsContact O-CB 3.26Å; E1548-N1552 WeakPolarHBondContact O-CB 3.25Å; E1548-N1552 PolarHBondContact O-N 2.61Å; E1548-N1552 PolarHBondContact O-ND2 3.11Å; E1548-N1552 VanDerWaalsContact O-ND2 3.16Å |
| 1549 | A | 89.3 | Confident | 85.9 | Confident | 39 Ų | 39 | 66.2 Ų | 66.2 | 32% | 0.322 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | F1482 P1545 G1546 N1552 Q1553 | F1482-A1549 HydrophobicContact CE1-CB 4.15Å; P1545-A1549 VanDerWaalsContact O-CB 3.26Å; P1545-A1549 WeakPolarHBondContact O-CB 3.34Å; P1545-A1549 PolarHBondContact O-N 3.39Å; G1546-A1549 PolarHBondContact O-N 3.3Å; A1549-N1552 PolarHBondContact O-N 2.91Å; A1549-Q1553 VanDerWaalsContact O-CB 3.3Å; A1549-Q1553 WeakPolarHBondContact O-CB 3.25Å; A1549-Q1553 VanDerWaalsContact O-CG 3.31Å; A1549-Q1553 WeakPolarHBondContact O-CG 3.4Å; A1549-Q1553 PolarHBondContact O-N 3.5Å |
| 1550 | L | 89.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 174.7 | 177.5 | 60.9 | 0 | 0 | 0 | 111.3 | I1479 F1482 W1540 I1542 G1546 K1547 E1548 Q1553 A1554 L1560 L1604 | I1479-L1550 HydrophobicContact CD1-CD1 3.87Å; I1479-L1550 HydrophobicContact CD1-CD2 4.12Å; I1479-L1550 HydrophobicContact CG2-CD1 3.99Å; F1482-L1550 HydrophobicContact CD1-CB 3.81Å; F1482-L1550 HydrophobicContact CD1-CD1 4.39Å; F1482-L1550 HydrophobicContact CD2-CB 4.46Å; F1482-L1550 HydrophobicContact CD2-CD1 3.55Å; F1482-L1550 HydrophobicContact CD2-CG 4.48Å; F1482-L1550 HydrophobicContact CE1-CB 3.51Å; F1482-L1550 HydrophobicContact CE1-CD1 4.37Å; F1482-L1550 HydrophobicContact CE1-CG 4.48Å; F1482-L1550 HydrophobicContact CE2-CB 4.18Å; F1482-L1550 HydrophobicContact CE2-CD1 3.49Å; F1482-L1550 VanDerWaalsContact CE2-CD1 3.49Å; F1482-L1550 HydrophobicContact CE2-CG 4.42Å; F1482-L1550 HydrophobicContact CG-CB 4.28Å; F1482-L1550 HydrophobicContact CG-CD1 4Å; F1482-L1550 HydrophobicContact CZ-CB 3.7Å; F1482-L1550 HydrophobicContact CZ-CD1 3.94Å; F1482-L1550 HydrophobicContact CZ-CG 4.43Å; W1540-L1550 HydrophobicContact CH2-CD2 4.1Å; W1540-L1550 HydrophobicContact CZ2-CD2 3.77Å; I1542-L1550 HydrophobicContact CD1-CB 4.29Å; I1542-L1550 HydrophobicContact CD1-CD2 4.08Å; G1546-L1550 WeakPolarHBondContact O-CB 3.34Å; G1546-L1550 PolarHBondContact O-N 2.86Å; K1547-L1550 PolarHBondContact O-N 2.92Å; E1548-L1550 PolarHBondContact O-N 3.4Å; L1550-Q1553 PolarHBondContact O-N 3.18Å; L1550-A1554 WeakPolarHBondContact O-CB 3.29Å; L1550-A1554 PolarHBondContact O-N 3.49Å; L1550-L1560 HydrophobicContact CD1-CD1 4.41Å; L1550-L1560 HydrophobicContact CD1-CD2 4.34Å; L1550-L1604 HydrophobicContact CD2-CD1 4.03Å; L1550-L1604 HydrophobicContact CD2-CD2 4.08Å; L1550-L1604 HydrophobicContact CG-CD1 3.88Å |
| 1551 | Y | 89.7 | Confident | 85.8 | Confident | 82 Ų | 82 | 62.9 Ų | 62.9 | 32% | 0.322 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 176.9 | -176.8 | -102.4 | 0 | 0 | 0 | 111.5 | K1547 E1548 A1554 I1555 I1601 L1604 | K1547-Y1551 WeakPolarHBondContact O-CB 3.35Å; K1547-Y1551 PolarHBondContact O-N 2.94Å; E1548-Y1551 PolarHBondContact O-N 3.1Å; Y1551-A1554 PolarHBondContact O-N 3.29Å; Y1551-I1555 HydrophobicContact CD1-CD1 3.72Å; Y1551-I1555 HydrophobicContact CE1-CD1 3.24Å; Y1551-I1555 HydrophobicContact CE1-CG1 4.49Å; Y1551-I1555 HydrophobicContact CE2-CD1 4.13Å; Y1551-I1555 HydrophobicContact CG-CD1 4.35Å; Y1551-I1555 VanDerWaalsContact CZ-CD1 3.47Å; Y1551-I1555 WeakPolarHBondContact O-CG1 3.22Å; Y1551-I1555 PolarHBondContact O-N 3.03Å; Y1551-I1601 HydrophobicContact CE2-CG2 4.02Å; Y1551-L1604 HydrophobicContact CD2-CB 3.92Å |
| 1552 | N | 88 | Confident | 86.1 | Confident | 98 Ų | 98 | 58.8 Ų | 58.8 | 52% | 0.524 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.1 | -40.4 | 177.3 | -70.4 | -25.3 | 0 | 0 | 0 | 111.7 | E1548 A1549 I1555 S1556 | E1548-N1552 VanDerWaalsContact O-CB 3.26Å; E1548-N1552 WeakPolarHBondContact O-CB 3.25Å; E1548-N1552 PolarHBondContact O-N 2.61Å; E1548-N1552 PolarHBondContact O-ND2 3.11Å; E1548-N1552 VanDerWaalsContact O-ND2 3.16Å; A1549-N1552 PolarHBondContact O-N 2.91Å; N1552-I1555 PolarHBondContact O-N 3.35Å; N1552-S1556 VanDerWaalsContact O-CB 3.3Å; N1552-S1556 WeakPolarHBondContact O-CB 3.38Å; N1552-S1556 PolarHBondContact O-N 2.79Å |
| 1553 | Q | 87.1 | Confident | 86.3 | Confident | 77 Ų | 77 | 57.9 Ų | 57.9 | 36% | 0.36 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.5 | -39.6 | 174.1 | -78 | -173.4 | 7.5 | 0 | 0 | 111.9 | F1482 A1549 L1550 I1555 S1556 L1560 R1597 | F1482-Q1553 HydrophobicContact CZ-CG 4.49Å; F1482-Q1553 VanDerWaalsContact CZ-OE1 3.27Å; A1549-Q1553 VanDerWaalsContact O-CB 3.3Å; A1549-Q1553 WeakPolarHBondContact O-CB 3.25Å; A1549-Q1553 VanDerWaalsContact O-CG 3.31Å; A1549-Q1553 WeakPolarHBondContact O-CG 3.4Å; A1549-Q1553 PolarHBondContact O-N 3.5Å; L1550-Q1553 PolarHBondContact O-N 3.18Å; Q1553-I1555 VanDerWaalsContact C-N 3.31Å; Q1553-I1555 PolarHBondContact O-N 3.02Å; Q1553-S1556 WeakPolarHBondContact CA-OG 3.43Å; Q1553-S1556 PolarHBondContact O-N 2.95Å; Q1553-S1556 PolarHBondContact O-OG 2.95Å; Q1553-L1560 HydrophobicContact CB-CD1 4.31Å; Q1553-R1597 PolarHBondContact O-NH2 3.35Å |
| 1554 | A | 83.1 | Confident | 86.6 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.008 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.7 | -37.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1550 Y1551 R1597 I1601 | L1550-A1554 WeakPolarHBondContact O-CB 3.29Å; L1550-A1554 PolarHBondContact O-N 3.49Å; Y1551-A1554 PolarHBondContact O-N 3.29Å; A1554-R1597 PolarHBondContact O-NE 3.45Å; A1554-R1597 PolarHBondContact O-NH2 3.23Å; A1554-I1601 HydrophobicContact CB-CD1 4.49Å; A1554-I1601 HydrophobicContact CB-CG1 3.75Å |
| 1555 | I | 85.8 | Confident | 86.9 | Confident | 94 Ų | 94 | 54.3 Ų | 54.3 | 48% | 0.482 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -74.2 | -35.7 | 174 | -68.1 | 170.3 | 0 | 0 | 0 | 112.1 | Y1551 N1552 Q1553 I1601 | Y1551-I1555 HydrophobicContact CD1-CD1 3.72Å; Y1551-I1555 HydrophobicContact CE1-CD1 3.24Å; Y1551-I1555 HydrophobicContact CE1-CG1 4.49Å; Y1551-I1555 HydrophobicContact CE2-CD1 4.13Å; Y1551-I1555 HydrophobicContact CG-CD1 4.35Å; Y1551-I1555 VanDerWaalsContact CZ-CD1 3.47Å; Y1551-I1555 WeakPolarHBondContact O-CG1 3.22Å; Y1551-I1555 PolarHBondContact O-N 3.03Å; N1552-I1555 PolarHBondContact O-N 3.35Å; Q1553-I1555 VanDerWaalsContact C-N 3.31Å; Q1553-I1555 PolarHBondContact O-N 3.02Å; I1555-I1601 HydrophobicContact CG1-CD1 4.32Å; I1555-I1601 HydrophobicContact CG1-CG1 4.43Å; I1555-I1601 HydrophobicContact CG1-CG2 4.31Å |
| 1556 | S | 83.2 | Confident | 87 | Confident | 37 Ų | 37 | 50.1 Ų | 50.1 | 26% | 0.259 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -61.2 | 164.4 | 179.2 | 81.1 | 0 | 0 | 0 | 0 | 112 | N1552 Q1553 V1558 R1597 | N1552-S1556 VanDerWaalsContact O-CB 3.3Å; N1552-S1556 WeakPolarHBondContact O-CB 3.38Å; N1552-S1556 PolarHBondContact O-N 2.79Å; Q1553-S1556 WeakPolarHBondContact CA-OG 3.43Å; Q1553-S1556 PolarHBondContact O-N 2.95Å; Q1553-S1556 PolarHBondContact O-OG 2.95Å; S1556-V1558 PolarHBondContact O-N 2.8Å; S1556-V1558 WeakPolarHBondContact OG-CB 3.28Å; S1556-V1558 VanDerWaalsContact OG-CG2 3.32Å; S1556-V1558 WeakPolarHBondContact OG-CG2 3.42Å; S1556-V1558 PolarHBondContact OG-N 3.12Å; S1556-R1597 PolarHBondContact O-NH2 3.47Å |
| 1557 | S | 81.2 | Confident | 87.1 | Confident | 108 Ų | 108 | 50.1 Ų | 50.1 | 76% | 0.755 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -77.4 | 7.2 | 172.4 | 60.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1558 | V | 80.4 | Confident | 87.3 | Confident | 81 Ų | 81 | 47.9 Ų | 47.9 | 49% | 0.491 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -72.2 | 136.3 | -177.9 | 179.4 | 0 | 0 | 0 | 0 | 110.1 | S1556 L1560 R1597 | S1556-V1558 PolarHBondContact O-N 2.8Å; S1556-V1558 WeakPolarHBondContact OG-CB 3.28Å; S1556-V1558 VanDerWaalsContact OG-CG2 3.32Å; S1556-V1558 WeakPolarHBondContact OG-CG2 3.42Å; S1556-V1558 PolarHBondContact OG-N 3.12Å; V1558-L1560 PolarHBondContact O-N 3.02Å; V1558-R1597 PolarHBondContact O-NH1 3.31Å; V1558-R1597 PolarHBondContact O-NH2 2.91Å |
| 1559 | D | 79.2 | Confident | 87.3 | Confident | 137 Ų | 137 | 45.8 Ų | 45.8 | 73% | 0.733 | 25% | 0.253 | S | S | * | . | trans | -65 | 122 | 176.6 | -71.1 | -30.3 | 0 | 0 | 0 | 110.6 | ||||
| 1560 | L | 85.1 | Confident | 86.9 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 137.1 | 175.9 | -155.2 | 83.2 | 0 | 0 | 0 | 107.1 | I1479 F1482 L1550 Q1553 V1558 L1590 L1600 | I1479-L1560 HydrophobicContact CD1-CD2 4.46Å; I1479-L1560 HydrophobicContact CG2-CD1 3.83Å; I1479-L1560 HydrophobicContact CG2-CD2 3.68Å; I1479-L1560 HydrophobicContact CG2-CG 3.58Å; F1482-L1560 HydrophobicContact CE2-CD1 4.4Å; L1550-L1560 HydrophobicContact CD1-CD1 4.41Å; L1550-L1560 HydrophobicContact CD1-CD2 4.34Å; Q1553-L1560 HydrophobicContact CB-CD1 4.31Å; V1558-L1560 PolarHBondContact O-N 3.02Å; L1560-L1590 HydrophobicContact CB-CB 4.33Å; L1560-L1590 HydrophobicContact CD2-CD1 4.07Å; L1560-L1590 WeakPolarHBondContact O-CA 3.16Å; L1560-L1590 WeakPolarHBondContact O-CB 3.13Å; L1560-L1590 PolarHBondContact O-N 3.5Å; L1560-L1600 HydrophobicContact CD2-CD2 3.59Å |
| 1561 | S | 89 | Confident | 86.3 | Confident | 26 Ų | 26 | 46.9 Ų | 46.9 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 138.4 | 176.6 | 58.8 | 0 | 0 | 0 | 0 | 111.2 | A1480 V1588 | A1480-S1561 VanDerWaalsContact CB-OG 3.26Å; A1480-S1561 WeakPolarHBondContact CB-OG 3.39Å; A1480-S1561 PolarHBondContact N-O 3.01Å; S1561-V1588 WeakPolarHBondContact CA-O 3.34Å |
| 1562 | L | 90.4 | Very high | 85 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 119.6 | 172.2 | -168.5 | 81.8 | 0 | 0 | 0 | 108.5 | I1477 S1478 I1479 L1485 L1564 E1587 V1588 L1590 V1613 L1653 | I1477-L1562 HydrophobicContact CG2-CD1 3.64Å; I1477-L1562 HydrophobicContact CG2-CD2 4.01Å; I1477-L1562 HydrophobicContact CG2-CG 3.83Å; S1478-L1562 CarbonylContact O-C 3.47Å; S1478-L1562 WeakPolarHBondContact O-CA 3.4Å; I1479-L1562 HydrophobicContact CG1-CD1 3.96Å; L1485-L1562 HydrophobicContact CD1-CD1 4.15Å; L1562-L1564 HydrophobicContact CD2-CD2 4.09Å; L1562-E1587 CarbonylContact O-C 3.57Å; L1562-E1587 WeakPolarHBondContact O-CA 3.15Å; L1562-V1588 HydrophobicContact CB-CB 4.33Å; L1562-V1588 PolarHBondContact N-O 3.48Å; L1562-V1588 PolarHBondContact O-N 3.26Å; L1562-L1590 HydrophobicContact CB-CD1 4.23Å; L1562-L1590 HydrophobicContact CB-CG 4.47Å; L1562-V1613 HydrophobicContact CD2-CB 4.4Å; L1562-V1613 HydrophobicContact CD2-CG1 3.95Å; L1562-V1613 HydrophobicContact CD2-CG2 4.03Å; L1562-L1653 HydrophobicContact CD1-CD1 4.14Å; L1562-L1653 HydrophobicContact CD2-CD1 4.37Å |
| 1563 | V | 92.5 | Very high | 83.5 | Confident | 6 Ų | 6 | 46.3 Ų | 46.3 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 119.5 | 179.3 | -173.4 | 0 | 0 | 0 | 0 | 108.8 | I1477 S1478 A1480 R1585 E1587 | I1477-V1563 WeakPolarHBondContact CA-O 3.4Å; S1478-V1563 PolarHBondContact N-O 3.36Å; S1478-V1563 PolarHBondContact O-N 3.35Å; A1480-V1563 HydrophobicContact CB-CG2 4.22Å; V1563-R1585 HydrophobicContact CG1-CG 3.97Å; V1563-E1587 HydrophobicContact CG2-CG 4.22Å |
| 1564 | L | 90.6 | Very high | 82 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 124.3 | 172.2 | -55.1 | 174.2 | 0 | 0 | 0 | 108.3 | F1475 I1477 L1562 R1585 R1586 V1588 A1616 L1651 | F1475-L1564 HydrophobicContact CZ-CD2 4.36Å; I1477-L1564 HydrophobicContact CB-CD2 4.21Å; I1477-L1564 HydrophobicContact CD1-CD2 3.88Å; I1477-L1564 HydrophobicContact CG1-CD2 3.65Å; I1477-L1564 HydrophobicContact CG2-CD2 3.9Å; L1562-L1564 HydrophobicContact CD2-CD2 4.09Å; L1564-R1585 CarbonylContact O-C 3.59Å; L1564-R1585 WeakPolarHBondContact O-CA 3.43Å; L1564-R1586 PolarHBondContact N-O 3.48Å; L1564-R1586 PolarHBondContact O-N 3.47Å; L1564-V1588 HydrophobicContact CD1-CG2 4.09Å; L1564-A1616 HydrophobicContact CD1-CB 3.98Å; L1564-A1616 WeakPolarHBondContact CD1-O 3.47Å; L1564-L1651 HydrophobicContact CD1-CD1 3.97Å; L1564-L1651 HydrophobicContact CD2-CD1 3.76Å |
| 1565 | E | 90.8 | Very high | 80.5 | Confident | 66 Ų | 66 | 52.4 Ų | 52.4 | 31% | 0.308 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 133.3 | -179.9 | -174.3 | 176.4 | -163.7 | 0 | 0 | 110.1 | F1475 K1476 F1584 | F1475-E1565 CarbonylContact C-O 3.5Å; F1475-E1565 WeakPolarHBondContact CA-O 3.35Å; K1476-E1565 HydrophobicContact CB-CB 4.47Å; K1476-E1565 PolarHBondContact N-O 3.23Å; K1476-E1565 PolarHBondContact O-N 3.35Å; E1565-F1584 WeakPolarHBondContact CA-O 3.25Å |
| 1566 | F | 90.2 | Very high | 78.9 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 0% | 0.004 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 148.3 | 169.2 | 62.8 | -95.5 | 0 | 0 | 0 | 112.5 | N1474 F1475 F1568 S1583 F1584 F1617 P1618 V1621 V1629 I1699 | N1474-F1566 CarbonylContact O-C 3.52Å; N1474-F1566 WeakPolarHBondContact O-CA 3.35Å; N1474-F1566 VanDerWaalsContact O-CB 3.25Å; N1474-F1566 WeakPolarHBondContact O-CB 3.46Å; F1475-F1566 HydrophobicContact CB-CB 4.23Å; F1475-F1566 HydrophobicContact CD2-CB 3.72Å; F1475-F1566 HydrophobicContact CD2-CD1 4.13Å; F1475-F1566 HydrophobicContact CD2-CG 4.31Å; F1475-F1566 HydrophobicContact CE2-CD1 4.28Å; F1475-F1566 HydrophobicContact CG-CB 4.41Å; F1566-F1568 HydrophobicContact CD2-CD2 4.24Å; F1566-F1568 AromaticContact CD2-CE2 3.81Å; F1566-F1568 HydrophobicContact CD2-CE2 3.81Å; F1566-F1568 AromaticContact CE2-CE2 3.95Å; F1566-F1568 HydrophobicContact CE2-CE2 3.95Å; F1566-S1583 CarbonylContact O-C 3.58Å; F1566-S1583 WeakPolarHBondContact O-CA 3.39Å; F1566-F1584 HydrophobicContact CD1-CB 4.44Å; F1566-F1584 AromaticContact CD1-CD1 3.89Å; F1566-F1584 HydrophobicContact CD1-CD1 3.89Å; F1566-F1584 HydrophobicContact CD2-CB 4.2Å; F1566-F1584 HydrophobicContact CE1-CB 3.99Å; F1566-F1584 AromaticContact CE1-CD1 3.1Å; F1566-F1584 HydrophobicContact CE1-CD1 3.1Å; F1566-F1584 AromaticContact CE1-CE1 3.76Å; F1566-F1584 HydrophobicContact CE1-CE1 3.76Å; F1566-F1584 AromaticContact CE1-CG 3.83Å; F1566-F1584 HydrophobicContact CE1-CG 3.83Å; F1566-F1584 HydrophobicContact CE2-CB 3.68Å; F1566-F1584 HydrophobicContact CE2-CD1 4.31Å; F1566-F1584 HydrophobicContact CE2-CG 4.23Å; F1566-F1584 HydrophobicContact CZ-CB 3.54Å; F1566-F1584 AromaticContact CZ-CD1 3.33Å; F1566-F1584 HydrophobicContact CZ-CD1 3.33Å; F1566-F1584 HydrophobicContact CZ-CE1 4.1Å; F1566-F1584 AromaticContact CZ-CG 3.56Å; F1566-F1584 HydrophobicContact CZ-CG 3.56Å; F1566-F1584 PolarHBondContact N-O 3.44Å; F1566-F1584 PolarHBondContact O-N 3.28Å; F1566-F1617 HydrophobicContact CD1-CE2 4.4Å; F1566-F1617 HydrophobicContact CE1-CE2 4.46Å; F1566-P1618 HydrophobicContact CE1-CG 4.43Å; F1566-V1621 HydrophobicContact CE2-CG1 4.16Å; F1566-V1621 HydrophobicContact CZ-CG1 3.75Å; F1566-V1629 HydrophobicContact CE2-CB 4.31Å; F1566-V1629 HydrophobicContact CE2-CG1 3.74Å; F1566-V1629 HydrophobicContact CZ-CG1 4.4Å; F1566-I1699 HydrophobicContact CD1-CD1 4.24Å; F1566-I1699 HydrophobicContact CD2-CD1 4.1Å; F1566-I1699 HydrophobicContact CE1-CD1 4.47Å; F1566-I1699 HydrophobicContact CE2-CD1 4.37Å; F1566-I1699 HydrophobicContact CG-CD1 4.06Å |
| 1567 | D | 90 | Very high | 77.5 | Confident | 15 Ų | 15 | 55.2 Ų | 55.2 | 8% | 0.08 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 148.6 | -176.3 | 49.5 | -68.7 | 0 | 0 | 0 | 111.3 | S1473 N1474 L1581 H1582 | S1473-D1567 CarbonylContact C-O 3.58Å; S1473-D1567 WeakPolarHBondContact CA-O 3.15Å; S1473-D1567 PolarHBondContact OG-O 2.67Å; N1474-D1567 WeakPolarHBondContact CB-OD1 3.39Å; N1474-D1567 PolarHBondContact N-O 2.91Å; N1474-D1567 PolarHBondContact ND2-OD2 3.22Å; N1474-D1567 PolarHBondContact O-N 3.11Å; D1567-L1581 HydrophobicContact CB-CD1 3.83Å; D1567-L1581 HydrophobicContact CB-CG 4.38Å; D1567-L1581 WeakPolarHBondContact OD2-CD1 3.35Å; D1567-H1582 CarbonylContact C-O 3.49Å; D1567-H1582 VanDerWaalsContact CA-O 3.27Å; D1567-H1582 WeakPolarHBondContact CA-O 3.46Å |
| 1568 | F | 89.9 | Confident | 76.1 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 130.4 | 175.2 | -73.7 | -91.3 | 0 | 0 | 0 | 108.8 | P1470 S1530 F1566 L1581 H1582 V1621 L1623 V1629 I1699 A1701 | P1470-F1568 HydrophobicContact CB-CB 4.13Å; P1470-F1568 HydrophobicContact CB-CD1 3.84Å; P1470-F1568 HydrophobicContact CB-CG 4.48Å; P1470-F1568 HydrophobicContact CG-CD1 3.8Å; P1470-F1568 HydrophobicContact CG-CE1 4.42Å; S1530-F1568 WeakPolarHBondContact OG-CE1 3.31Å; F1566-F1568 HydrophobicContact CD2-CD2 4.24Å; F1566-F1568 AromaticContact CD2-CE2 3.81Å; F1566-F1568 HydrophobicContact CD2-CE2 3.81Å; F1566-F1568 AromaticContact CE2-CE2 3.95Å; F1566-F1568 HydrophobicContact CE2-CE2 3.95Å; F1568-L1581 WeakPolarHBondContact O-CA 3.47Å; F1568-H1582 PolarHBondContact N-O 2.99Å; F1568-H1582 PolarHBondContact O-N 3.46Å; F1568-V1621 HydrophobicContact CE2-CG2 4.2Å; F1568-V1621 HydrophobicContact CZ-CG2 4.42Å; F1568-L1623 HydrophobicContact CB-CD1 3.77Å; F1568-L1623 HydrophobicContact CB-CD2 4.11Å; F1568-L1623 HydrophobicContact CD2-CD1 4.49Å; F1568-L1623 HydrophobicContact CG-CD1 4.28Å; F1568-L1623 HydrophobicContact CG-CD2 4.41Å; F1568-V1629 HydrophobicContact CD2-CG2 3.96Å; F1568-V1629 HydrophobicContact CE2-CG1 4.44Å; F1568-I1699 HydrophobicContact CZ-CG2 4Å; F1568-A1701 HydrophobicContact CE1-CB 4.01Å; F1568-A1701 HydrophobicContact CE2-CB 4.49Å; F1568-A1701 HydrophobicContact CZ-CB 3.8Å |
| 1569 | Q | 87.3 | Confident | 74.9 | Confident | 84 Ų | 84 | 58.4 Ų | 58.4 | 39% | 0.393 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 115.1 | 178.7 | -171.5 | 174.5 | 0.9 | 0 | 0 | 110.8 | P1470 E1471 H1472 G1580 L1581 | P1470-Q1569 CarbonylContact C-O 3.57Å; P1470-Q1569 VanDerWaalsContact CA-O 3.25Å; P1470-Q1569 WeakPolarHBondContact CA-O 3.23Å; E1471-Q1569 PolarHBondContact N-O 2.79Å; H1472-Q1569 HydrophobicContact CB-CB 4.3Å; H1472-Q1569 PolarHBondContact O-N 3.17Å; Q1569-G1580 CarbonylContact C-O 3.56Å; Q1569-G1580 VanDerWaalsContact CA-O 3.27Å; Q1569-G1580 WeakPolarHBondContact CA-O 3.39Å; Q1569-L1581 HydrophobicContact CB-CD1 4.46Å |
| 1570 | R | 81.7 | Confident | 74.3 | Confident | 9 Ų | 9 | 52.8 Ų | 52.8 | 3% | 0.034 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -82 | 148.6 | 170.9 | -65.9 | -176.6 | -175 | -144.8 | -4.9 | 111.1 | S1572 G1580 H1582 L1623 P1624 D1704 | R1570-S1572 PolarHBondContact O-N 3.33Å; R1570-G1580 PolarHBondContact N-O 2.95Å; R1570-H1582 WeakPolarHBondContact CD-NE2 3.41Å; R1570-H1582 PolarHBondContact NE-NE2 3.47Å; R1570-L1623 HydrophobicContact CG-CD2 4.44Å; R1570-L1623 PolarHBondContact NH2-O 2.9Å; R1570-P1624 PolarHBondContact NH2-O 3.32Å; R1570-D1704 PolarHBondContact NH1-O 2.81Å; R1570-D1704 PolarHBondContact NH2-O 3.23Å; R1570-D1704 VanDerWaalsContact NH2-O 3.15Å |
| 1571 | P | 76.2 | Confident | 74 | Confident | 53 Ų | 53 | 56.6 Ų | 56.6 | 34% | 0.344 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 127.2 | 174.5 | 25.2 | -32.9 | 0 | 0 | 0 | 110.7 | L1469 Q1573 | L1469-P1571 WeakPolarHBondContact O-CD 3.45Å; P1571-Q1573 PolarHBondContact O-N 3.45Å |
| 1572 | S | 64.2 | Low | 73.8 | Confident | 79 Ų | 79 | 55.8 Ų | 55.8 | 55% | 0.552 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 121.5 | 180 | 160.9 | 0 | 0 | 0 | 0 | 111.4 | R1570 G1574 | R1570-S1572 PolarHBondContact O-N 3.33Å; S1572-G1574 VanDerWaalsContact C-N 3.35Å; S1572-G1574 PolarHBondContact O-N 2.97Å; S1572-G1574 PolarHBondContact OG-O 3.21Å |
| 1573 | Q | 56.6 | Low | 73.7 | Confident | 90 Ų | 90 | 58.4 Ų | 58.4 | 42% | 0.421 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -86.5 | 77.2 | 164.3 | -88.3 | -171 | -5.5 | 0 | 0 | 109.9 | P1571 | P1571-Q1573 PolarHBondContact O-N 3.45Š|
| 1574 | G | 55 | Low | 73.6 | Confident | 38 Ų | 38 | 59.7 Ų | 59.7 | 39% | 0.392 | 34% | 0.341 | S | S | . | . | S | Bend | trans | 88 | 165.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S1572 T1576 | S1572-G1574 VanDerWaalsContact C-N 3.35Å; S1572-G1574 PolarHBondContact O-N 2.97Å; S1572-G1574 PolarHBondContact OG-O 3.21Å; G1574-T1576 PolarHBondContact O-N 3.18Å |
| 1575 | N | 51.5 | Low | 73.6 | Confident | 167 Ų | 167 | 66.7 Ų | 66.7 | 89% | 0.893 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 2.2 | -164.5 | -69.4 | -4.1 | 0 | 0 | 0 | 116.4 | ||
| 1576 | T | 52.2 | Low | 73.4 | Confident | 117 Ų | 117 | 66.4 Ų | 66.4 | 72% | 0.718 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.5 | -11.6 | -170.2 | 47.6 | 0 | 0 | 0 | 0 | 115.2 | G1574 N1578 | G1574-T1576 PolarHBondContact O-N 3.18Å; T1576-N1578 PolarHBondContact O-N 3.43Å |
| 1577 | E | 53 | Low | 73.3 | Confident | 73 Ų | 73 | 71.4 Ų | 71.4 | 34% | 0.341 | 39% | 0.387 | S | S | . | . | trans | -97.1 | 89.2 | 175.6 | -70.5 | -172.4 | 172.8 | 0 | 0 | 110.7 | T1579 | E1577-T1579 PolarHBondContact O-N 3.49Å; E1577-T1579 VanDerWaalsContact O-N 3.11Å | ||
| 1578 | N | 51.6 | Low | 73.2 | Confident | 154 Ų | 154 | 71.5 Ų | 71.5 | 82% | 0.824 | 39% | 0.388 | S | S | * | . | trans | -70.4 | 5.7 | -174.8 | -91.7 | -8.3 | 0 | 0 | 0 | 116.3 | T1576 | T1576-N1578 PolarHBondContact O-N 3.43Š| ||
| 1579 | T | 55.9 | Low | 73 | Confident | 102 Ų | 102 | 76.2 Ų | 76.2 | 63% | 0.626 | 42% | 0.419 | S | S | * | . | trans | -149.4 | 69 | 178.9 | 48.8 | 0 | 0 | 0 | 0 | 110.8 | E1577 L1581 | E1577-T1579 PolarHBondContact O-N 3.49Å; E1577-T1579 VanDerWaalsContact O-N 3.11Å; T1579-L1581 PolarHBondContact O-N 3.3Å | ||
| 1580 | G | 66.4 | Low | 72.9 | Confident | 20 Ų | 20 | 72.5 Ų | 72.5 | 21% | 0.206 | 40% | 0.402 | C | S | . | . | trans | -61.8 | -8.7 | 153.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q1569 R1570 H1582 | Q1569-G1580 CarbonylContact C-O 3.56Å; Q1569-G1580 VanDerWaalsContact CA-O 3.27Å; Q1569-G1580 WeakPolarHBondContact CA-O 3.39Å; R1570-G1580 PolarHBondContact N-O 2.95Å; G1580-H1582 PolarHBondContact O-CD2 3.37Å | ||
| 1581 | L | 79.2 | Confident | 72.9 | Confident | 85 Ų | 85 | 75.4 Ų | 75.4 | 45% | 0.445 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 115.7 | 176.5 | -168.2 | 74 | 0 | 0 | 0 | 111.2 | D1567 F1568 Q1569 T1579 | D1567-L1581 HydrophobicContact CB-CD1 3.83Å; D1567-L1581 HydrophobicContact CB-CG 4.38Å; D1567-L1581 WeakPolarHBondContact OD2-CD1 3.35Å; F1568-L1581 WeakPolarHBondContact O-CA 3.47Å; Q1569-L1581 HydrophobicContact CB-CD1 4.46Å; T1579-L1581 PolarHBondContact O-N 3.3Å |
| 1582 | H | 85.4 | Confident | 73 | Confident | 9 Ų | 9 | 75.3 Ų | 75.3 | 4% | 0.042 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 119.2 | 172.2 | -57.2 | -101.2 | 0 | 0 | 0 | 108.7 | D1567 F1568 R1570 G1580 L1623 P1624 G1627 V1629 | D1567-H1582 CarbonylContact C-O 3.49Å; D1567-H1582 VanDerWaalsContact CA-O 3.27Å; D1567-H1582 WeakPolarHBondContact CA-O 3.46Å; F1568-H1582 PolarHBondContact N-O 2.99Å; F1568-H1582 PolarHBondContact O-N 3.46Å; R1570-H1582 WeakPolarHBondContact CD-NE2 3.41Å; R1570-H1582 PolarHBondContact NE-NE2 3.47Å; G1580-H1582 PolarHBondContact O-CD2 3.37Å; H1582-L1623 HydrophobicContact CB-CD1 3.42Å; H1582-L1623 VanDerWaalsContact CB-CD1 3.42Å; H1582-P1624 PolarHBondContact CE1-O 3.34Å; H1582-G1627 PolarHBondContact ND1-O 2.94Å; H1582-V1629 HydrophobicContact CB-CG2 3.56Å |
| 1583 | S | 87 | Confident | 73.7 | Confident | 56 Ų | 56 | 80.4 Ų | 80.4 | 39% | 0.392 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 156.6 | -175.2 | 58.8 | 0 | 0 | 0 | 0 | 113.3 | F1566 P1628 V1629 | F1566-S1583 CarbonylContact O-C 3.58Å; F1566-S1583 WeakPolarHBondContact O-CA 3.39Å; S1583-P1628 WeakPolarHBondContact O-CB 3.48Å; S1583-V1629 PolarHBondContact O-N 3.5Å |
| 1584 | F | 90.3 | Very high | 75 | Confident | 33 Ų | 33 | 77.3 Ų | 77.3 | 15% | 0.145 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 134.9 | 170.7 | 176.7 | -92.9 | 0 | 0 | 0 | 110 | E1565 F1566 R1586 P1618 V1629 P1631 | E1565-F1584 WeakPolarHBondContact CA-O 3.25Å; F1566-F1584 HydrophobicContact CD1-CB 4.44Å; F1566-F1584 AromaticContact CD1-CD1 3.89Å; F1566-F1584 HydrophobicContact CD1-CD1 3.89Å; F1566-F1584 HydrophobicContact CD2-CB 4.2Å; F1566-F1584 HydrophobicContact CE1-CB 3.99Å; F1566-F1584 AromaticContact CE1-CD1 3.1Å; F1566-F1584 HydrophobicContact CE1-CD1 3.1Å; F1566-F1584 AromaticContact CE1-CE1 3.76Å; F1566-F1584 HydrophobicContact CE1-CE1 3.76Å; F1566-F1584 AromaticContact CE1-CG 3.83Å; F1566-F1584 HydrophobicContact CE1-CG 3.83Å; F1566-F1584 HydrophobicContact CE2-CB 3.68Å; F1566-F1584 HydrophobicContact CE2-CD1 4.31Å; F1566-F1584 HydrophobicContact CE2-CG 4.23Å; F1566-F1584 HydrophobicContact CZ-CB 3.54Å; F1566-F1584 AromaticContact CZ-CD1 3.33Å; F1566-F1584 HydrophobicContact CZ-CD1 3.33Å; F1566-F1584 HydrophobicContact CZ-CE1 4.1Å; F1566-F1584 AromaticContact CZ-CG 3.56Å; F1566-F1584 HydrophobicContact CZ-CG 3.56Å; F1566-F1584 PolarHBondContact N-O 3.44Å; F1566-F1584 PolarHBondContact O-N 3.28Å; F1584-R1586 HydrophobicContact CE1-CB 3.85Å; F1584-R1586 HydrophobicContact CZ-CB 4.26Å; F1584-P1618 HydrophobicContact CE1-CG 3.71Å; F1584-P1618 HydrophobicContact CZ-CG 3.93Å; F1584-V1629 HydrophobicContact CB-CB 4.1Å; F1584-V1629 VanDerWaalsContact CD2-O 3.23Å; F1584-V1629 WeakPolarHBondContact CD2-O 3.36Å; F1584-P1631 HydrophobicContact CE2-CG 4.03Å; F1584-P1631 HydrophobicContact CZ-CG 4.15Å |
| 1585 | R | 90.2 | Very high | 76.4 | Confident | 150 Ų | 150 | 80.3 Ų | 80.3 | 57% | 0.566 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 132.2 | -179.1 | -174.5 | 176.5 | 178.3 | -138.5 | -13.3 | 110.3 | V1563 L1564 E1587 | V1563-R1585 HydrophobicContact CG1-CG 3.97Å; L1564-R1585 CarbonylContact O-C 3.59Å; L1564-R1585 WeakPolarHBondContact O-CA 3.43Å; R1585-E1587 IonicContact CZ-OE1 3.36Å; R1585-E1587 IonicContact NH1-OE1 3.36Å; R1585-E1587 IonicContact NH2-OE1 2.74Å; R1585-E1587 PolarHBondContact NH2-OE1 3.01Å |
| 1586 | R | 87.9 | Confident | 78 | Confident | 60 Ų | 60 | 72.9 Ų | 72.9 | 23% | 0.226 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 128.4 | 178.1 | 177.9 | 175.3 | 177 | 86.8 | -5.7 | 110.7 | L1564 F1584 V1588 A1616 | L1564-R1586 PolarHBondContact N-O 3.48Å; L1564-R1586 PolarHBondContact O-N 3.47Å; F1584-R1586 HydrophobicContact CE1-CB 3.85Å; F1584-R1586 HydrophobicContact CZ-CB 4.26Å; R1586-V1588 HydrophobicContact CG-CG2 4.27Å; R1586-A1616 VanDerWaalsContact CD-O 3.26Å; R1586-A1616 WeakPolarHBondContact CD-O 3.49Å; R1586-A1616 PolarHBondContact NE-O 2.86Å |
| 1587 | E | 88.4 | Confident | 79.6 | Confident | 106 Ų | 106 | 67.4 Ų | 67.4 | 50% | 0.495 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 122.2 | 174.3 | -56 | -171.5 | 169.8 | 0 | 0 | 109.4 | L1562 V1563 R1585 | L1562-E1587 CarbonylContact O-C 3.57Å; L1562-E1587 WeakPolarHBondContact O-CA 3.15Å; V1563-E1587 HydrophobicContact CG2-CG 4.22Å; R1585-E1587 IonicContact CZ-OE1 3.36Å; R1585-E1587 IonicContact NH1-OE1 3.36Å; R1585-E1587 IonicContact NH2-OE1 2.74Å; R1585-E1587 PolarHBondContact NH2-OE1 3.01Å |
| 1588 | V | 86.7 | Confident | 81.2 | Confident | 17 Ų | 17 | 68.7 Ų | 68.7 | 10% | 0.103 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 110.7 | 178.6 | -177.4 | 0 | 0 | 0 | 0 | 107.8 | S1561 L1562 L1564 R1586 V1613 A1616 | S1561-V1588 WeakPolarHBondContact CA-O 3.34Å; L1562-V1588 HydrophobicContact CB-CB 4.33Å; L1562-V1588 PolarHBondContact N-O 3.48Å; L1562-V1588 PolarHBondContact O-N 3.26Å; L1564-V1588 HydrophobicContact CD1-CG2 4.09Å; R1586-V1588 HydrophobicContact CG-CG2 4.27Å; V1588-V1613 HydrophobicContact CG1-CG1 4.01Å; V1588-A1616 HydrophobicContact CG2-CB 4.14Å |
| 1589 | P | 86.1 | Confident | 82.9 | Confident | 98 Ų | 98 | 61.5 Ų | 61.5 | 64% | 0.636 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 136.5 | -179.7 | 27.1 | -33 | 0 | 0 | 0 | 110.7 | P1591 | P1589-P1591 VanDerWaalsContact C-CD 3.43Å; P1589-P1591 WeakPolarHBondContact O-CD 3.45Å |
| 1590 | L | 84.8 | Confident | 84.4 | Confident | 7 Ų | 7 | 56.8 Ų | 56.8 | 4% | 0.037 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 80.2 | 173.5 | -60.4 | 172 | 0 | 0 | 0 | 108.4 | L1560 L1562 A1596 R1597 | L1560-L1590 HydrophobicContact CB-CB 4.33Å; L1560-L1590 HydrophobicContact CD2-CD1 4.07Å; L1560-L1590 WeakPolarHBondContact O-CA 3.16Å; L1560-L1590 WeakPolarHBondContact O-CB 3.13Å; L1560-L1590 PolarHBondContact O-N 3.5Å; L1562-L1590 HydrophobicContact CB-CD1 4.23Å; L1562-L1590 HydrophobicContact CB-CG 4.47Å; L1590-A1596 HydrophobicContact CD2-CB 3.6Å; L1590-R1597 PolarHBondContact O-NH1 3Å |
| 1591 | P | 81.8 | Confident | 85.4 | Confident | 70 Ų | 70 | 57.8 Ų | 57.8 | 46% | 0.455 | 30% | 0.297 | S | S | . | . | trans | -62.4 | 153 | -175.4 | 20 | -27.1 | 0 | 0 | 0 | 111.9 | P1589 K1593 S1594 R1597 | P1589-P1591 VanDerWaalsContact C-CD 3.43Å; P1589-P1591 WeakPolarHBondContact O-CD 3.45Å; P1591-K1593 PolarHBondContact O-N 3.29Å; P1591-S1594 VanDerWaalsContact O-CB 3.28Å; P1591-S1594 WeakPolarHBondContact O-CB 3.26Å; P1591-S1594 PolarHBondContact O-N 3.29Å; P1591-S1594 VanDerWaalsContact O-N 3.08Å; P1591-S1594 PolarHBondContact O-OG 3.37Å; P1591-R1597 VanDerWaalsContact O-CD 3.26Å; P1591-R1597 WeakPolarHBondContact O-CD 3.08Å | ||
| 1592 | A | 78.5 | Confident | 85.8 | Confident | 51 Ų | 51 | 53.9 Ų | 53.9 | 42% | 0.421 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 134.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | S1594 | A1592-S1594 VanDerWaalsContact C-N 3.29Å; A1592-S1594 PolarHBondContact O-N 2.9Å |
| 1593 | K | 80.1 | Confident | 86 | Confident | 185 Ų | 185 | 53.8 Ų | 53.8 | 80% | 0.804 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 14.8 | -175.3 | -48.6 | 177.7 | 178.8 | 179.1 | 0 | 116.4 | P1591 | P1591-K1593 PolarHBondContact O-N 3.29Š|
| 1594 | S | 82.1 | Confident | 85.9 | Confident | 26 Ų | 26 | 51.9 Ų | 51.9 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | trans | -72.4 | 151.4 | 170.8 | 59.1 | 0 | 0 | 0 | 0 | 112.2 | P1591 A1592 A1596 R1597 E1598 | P1591-S1594 VanDerWaalsContact O-CB 3.28Å; P1591-S1594 WeakPolarHBondContact O-CB 3.26Å; P1591-S1594 PolarHBondContact O-N 3.29Å; P1591-S1594 VanDerWaalsContact O-N 3.08Å; P1591-S1594 PolarHBondContact O-OG 3.37Å; A1592-S1594 VanDerWaalsContact C-N 3.29Å; A1592-S1594 PolarHBondContact O-N 2.9Å; S1594-A1596 PolarHBondContact O-N 3.06Å; S1594-R1597 PolarHBondContact O-N 3.39Å; S1594-R1597 WeakPolarHBondContact OG-CB 3.45Å; S1594-R1597 PolarHBondContact OG-N 2.95Å; S1594-E1598 PolarHBondContact O-N 3.05Å | ||
| 1595 | E | 85.9 | Confident | 85.5 | Confident | 100 Ų | 100 | 52.7 Ų | 52.7 | 47% | 0.467 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -51.1 | -44.7 | 175 | -175.7 | -175.3 | -165.8 | 0 | 0 | 111.1 | A1599 P1612 R1614 | E1595-A1599 WeakPolarHBondContact O-CB 3.34Å; E1595-A1599 PolarHBondContact O-N 3.32Å; E1595-P1612 HydrophobicContact CG-CG 4.05Å; E1595-R1614 IonicContact OE1-NH2 2.75Å; E1595-R1614 PolarHBondContact OE1-NH2 2.93Å; E1595-R1614 VanDerWaalsContact OE1-NH2 3.16Å; E1595-R1614 IonicContact OE2-CZ 3.53Å; E1595-R1614 IonicContact OE2-NE 2.91Å; E1595-R1614 PolarHBondContact OE2-NE 3.24Å; E1595-R1614 IonicContact OE2-NH2 3.86Å; E1595-R1614 PolarHBondContact OE2-NH2 3.48Å |
| 1596 | A | 84 | Confident | 85.1 | Confident | 11 Ų | 11 | 48.7 Ų | 48.7 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1590 S1594 A1599 L1600 V1611 P1612 | L1590-A1596 HydrophobicContact CD2-CB 3.6Å; S1594-A1596 PolarHBondContact O-N 3.06Å; A1596-A1599 PolarHBondContact O-N 2.9Å; A1596-L1600 WeakPolarHBondContact O-CB 3.26Å; A1596-L1600 PolarHBondContact O-N 3.01Å; A1596-V1611 HydrophobicContact CB-CG1 4.34Å; A1596-V1611 VanDerWaalsContact O-CG1 3.25Å; A1596-V1611 WeakPolarHBondContact O-CG1 3.27Å; A1596-P1612 VanDerWaalsContact CB-O 3.22Å; A1596-P1612 WeakPolarHBondContact CB-O 3.39Å |
| 1597 | R | 86.4 | Confident | 84.8 | Confident | 3 Ų | 3 | 53.7 Ų | 53.7 | 1% | 0.011 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -72.7 | -40.8 | -179.4 | -168.8 | 177.1 | -178.7 | 141.1 | 4.1 | 112.2 | Q1553 A1554 S1556 V1558 L1590 P1591 S1594 A1599 L1600 I1601 | Q1553-R1597 PolarHBondContact O-NH2 3.35Å; A1554-R1597 PolarHBondContact O-NE 3.45Å; A1554-R1597 PolarHBondContact O-NH2 3.23Å; S1556-R1597 PolarHBondContact O-NH2 3.47Å; V1558-R1597 PolarHBondContact O-NH1 3.31Å; V1558-R1597 PolarHBondContact O-NH2 2.91Å; L1590-R1597 PolarHBondContact O-NH1 3Å; P1591-R1597 VanDerWaalsContact O-CD 3.26Å; P1591-R1597 WeakPolarHBondContact O-CD 3.08Å; S1594-R1597 PolarHBondContact O-N 3.39Å; S1594-R1597 WeakPolarHBondContact OG-CB 3.45Å; S1594-R1597 PolarHBondContact OG-N 2.95Å; R1597-A1599 VanDerWaalsContact C-N 3.27Å; R1597-A1599 PolarHBondContact O-N 3.47Å; R1597-L1600 WeakPolarHBondContact O-CB 3.22Å; R1597-L1600 PolarHBondContact O-N 2.67Å; R1597-I1601 HydrophobicContact CG-CD1 4.47Å; R1597-I1601 VanDerWaalsContact O-CG1 3.27Å; R1597-I1601 WeakPolarHBondContact O-CG1 3.33Å; R1597-I1601 PolarHBondContact O-N 3.33Å |
| 1598 | E | 87 | Confident | 84.4 | Confident | 100 Ų | 100 | 53 Ų | 53 | 47% | 0.467 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.2 | -32.7 | 172.7 | -71.2 | -172.3 | 175.7 | 0 | 0 | 112.1 | S1594 G1602 | S1594-E1598 PolarHBondContact O-N 3.05Å; E1598-G1602 PolarHBondContact O-N 3.21Å |
| 1599 | A | 86.7 | Confident | 84.1 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 3% | 0.025 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69 | -41 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1595 A1596 R1597 G1602 V1603 K1608 A1610 V1611 P1612 | E1595-A1599 WeakPolarHBondContact O-CB 3.34Å; E1595-A1599 PolarHBondContact O-N 3.32Å; A1596-A1599 PolarHBondContact O-N 2.9Å; R1597-A1599 VanDerWaalsContact C-N 3.27Å; R1597-A1599 PolarHBondContact O-N 3.47Å; A1599-G1602 CarbonylContact O-C 3.56Å; A1599-G1602 PolarHBondContact O-N 3.13Å; A1599-V1603 WeakPolarHBondContact O-CB 3.3Å; A1599-V1603 VanDerWaalsContact O-CG2 3.22Å; A1599-V1603 WeakPolarHBondContact O-CG2 3.39Å; A1599-V1603 PolarHBondContact O-N 3.09Å; A1599-K1608 HydrophobicContact CB-CD 4.27Å; A1599-A1610 WeakPolarHBondContact CB-O 3.25Å; A1599-V1611 HydrophobicContact CB-CB 4.47Å; A1599-V1611 HydrophobicContact CB-CG1 4.32Å; A1599-P1612 VanDerWaalsContact CB-CD 3.48Å; A1599-P1612 HydrophobicContact CB-CG 4.46Å |
| 1600 | L | 88.2 | Confident | 84.1 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.016 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 174.4 | -177.9 | 66.4 | 0 | 0 | 0 | 111.7 | I1479 L1560 A1596 R1597 G1602 V1603 L1604 V1611 W1669 | I1479-L1600 HydrophobicContact CD1-CD1 4.08Å; I1479-L1600 HydrophobicContact CD1-CD2 3.76Å; L1560-L1600 HydrophobicContact CD2-CD2 3.59Å; A1596-L1600 WeakPolarHBondContact O-CB 3.26Å; A1596-L1600 PolarHBondContact O-N 3.01Å; R1597-L1600 WeakPolarHBondContact O-CB 3.22Å; R1597-L1600 PolarHBondContact O-N 2.67Å; L1600-G1602 VanDerWaalsContact C-N 3.31Å; L1600-G1602 PolarHBondContact O-N 3.43Å; L1600-V1603 PolarHBondContact O-N 3.48Å; L1600-L1604 HydrophobicContact CD1-CD1 4.21Å; L1600-L1604 HydrophobicContact CD1-CG 4.29Å; L1600-L1604 HydrophobicContact CG-CD1 3.99Å; L1600-L1604 HydrophobicContact CG-CG 4.45Å; L1600-L1604 WeakPolarHBondContact O-CB 3.41Å; L1600-L1604 WeakPolarHBondContact O-CG 3.26Å; L1600-L1604 PolarHBondContact O-N 2.88Å; L1600-V1611 HydrophobicContact CB-CG1 4.22Å; L1600-V1611 HydrophobicContact CB-CG2 4.12Å; L1600-V1611 HydrophobicContact CD1-CG2 4.08Å; L1600-W1669 HydrophobicContact CD1-CH2 4.02Å |
| 1601 | I | 86.5 | Confident | 84.3 | Confident | 40 Ų | 40 | 55.1 Ų | 55.1 | 21% | 0.205 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.3 | -42 | 174.2 | -63.7 | 163.3 | 0 | 0 | 0 | 110.5 | Y1551 A1554 I1555 R1597 S1605 | Y1551-I1601 HydrophobicContact CE2-CG2 4.02Å; A1554-I1601 HydrophobicContact CB-CD1 4.49Å; A1554-I1601 HydrophobicContact CB-CG1 3.75Å; I1555-I1601 HydrophobicContact CG1-CD1 4.32Å; I1555-I1601 HydrophobicContact CG1-CG1 4.43Å; I1555-I1601 HydrophobicContact CG1-CG2 4.31Å; R1597-I1601 HydrophobicContact CG-CD1 4.47Å; R1597-I1601 VanDerWaalsContact O-CG1 3.27Å; R1597-I1601 WeakPolarHBondContact O-CG1 3.33Å; R1597-I1601 PolarHBondContact O-N 3.33Å; I1601-S1605 WeakPolarHBondContact O-CB 3.46Å; I1601-S1605 PolarHBondContact O-N 3.45Å; I1601-S1605 PolarHBondContact O-OG 2.95Å |
| 1602 | G | 87.9 | Confident | 84.7 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.6 | -41 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | E1598 A1599 L1600 S1605 G1606 Q1607 K1608 | E1598-G1602 PolarHBondContact O-N 3.21Å; A1599-G1602 CarbonylContact O-C 3.56Å; A1599-G1602 PolarHBondContact O-N 3.13Å; L1600-G1602 VanDerWaalsContact C-N 3.31Å; L1600-G1602 PolarHBondContact O-N 3.43Å; G1602-S1605 WeakPolarHBondContact CA-OG 3.21Å; G1602-S1605 PolarHBondContact O-N 3.11Å; G1602-S1605 PolarHBondContact O-OG 3.11Å; G1602-S1605 VanDerWaalsContact O-OG 3.1Å; G1602-G1606 CarbonylContact O-C 3.59Å; G1602-G1606 PolarHBondContact O-N 3.17Å; G1602-Q1607 PolarHBondContact O-N 2.78Å; G1602-K1608 PolarHBondContact O-N 3.5Å; G1602-K1608 VanDerWaalsContact O-N 3.14Å |
| 1603 | V | 88.6 | Confident | 85.1 | Confident | 8 Ų | 8 | 50.6 Ų | 50.6 | 5% | 0.048 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69.6 | -40.5 | 178.5 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | A1599 L1600 S1605 G1606 K1608 V1611 L1655 W1669 | A1599-V1603 WeakPolarHBondContact O-CB 3.3Å; A1599-V1603 VanDerWaalsContact O-CG2 3.22Å; A1599-V1603 WeakPolarHBondContact O-CG2 3.39Å; A1599-V1603 PolarHBondContact O-N 3.09Å; L1600-V1603 PolarHBondContact O-N 3.48Å; V1603-S1605 VanDerWaalsContact C-N 3.32Å; V1603-S1605 PolarHBondContact O-N 2.93Å; V1603-G1606 PolarHBondContact O-N 3.01Å; V1603-K1608 WeakPolarHBondContact CA-O 3.36Å; V1603-K1608 HydrophobicContact CG2-CB 4.12Å; V1603-K1608 VanDerWaalsContact CG2-O 3.26Å; V1603-K1608 WeakPolarHBondContact CG2-O 3.32Å; V1603-V1611 HydrophobicContact CB-CG2 4.02Å; V1603-V1611 HydrophobicContact CG1-CG2 4.43Å; V1603-V1611 HydrophobicContact CG2-CG2 3.69Å; V1603-L1655 HydrophobicContact CG1-CB 3.39Å; V1603-L1655 HydrophobicContact CG1-CD2 3.87Å; V1603-L1655 HydrophobicContact CG1-CG 4.28Å; V1603-W1669 HydrophobicContact CG1-CH2 3.9Å; V1603-W1669 HydrophobicContact CG1-CZ3 4Å |
| 1604 | L | 85.7 | Confident | 85.3 | Confident | 15 Ų | 15 | 49 Ų | 49 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.7 | -30.2 | 176.9 | -68.9 | 172 | 0 | 0 | 0 | 113.1 | W1540 L1550 Y1551 L1600 | W1540-L1604 HydrophobicContact CH2-CD2 3.64Å; W1540-L1604 HydrophobicContact CZ3-CD2 4.29Å; L1550-L1604 HydrophobicContact CD2-CD1 4.03Å; L1550-L1604 HydrophobicContact CD2-CD2 4.08Å; L1550-L1604 HydrophobicContact CG-CD1 3.88Å; Y1551-L1604 HydrophobicContact CD2-CB 3.92Å; L1600-L1604 HydrophobicContact CD1-CD1 4.21Å; L1600-L1604 HydrophobicContact CD1-CG 4.29Å; L1600-L1604 HydrophobicContact CG-CD1 3.99Å; L1600-L1604 HydrophobicContact CG-CG 4.45Å; L1600-L1604 WeakPolarHBondContact O-CB 3.41Å; L1600-L1604 WeakPolarHBondContact O-CG 3.26Å; L1600-L1604 PolarHBondContact O-N 2.88Å |
| 1605 | S | 83.1 | Confident | 85.3 | Confident | 50 Ų | 50 | 52.1 Ų | 52.1 | 35% | 0.35 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -88.9 | -6.9 | 175.7 | 59.6 | 0 | 0 | 0 | 0 | 114.5 | I1601 G1602 V1603 | I1601-S1605 WeakPolarHBondContact O-CB 3.46Å; I1601-S1605 PolarHBondContact O-N 3.45Å; I1601-S1605 PolarHBondContact O-OG 2.95Å; G1602-S1605 WeakPolarHBondContact CA-OG 3.21Å; G1602-S1605 PolarHBondContact O-N 3.11Å; G1602-S1605 PolarHBondContact O-OG 3.11Å; G1602-S1605 VanDerWaalsContact O-OG 3.1Å; V1603-S1605 VanDerWaalsContact C-N 3.32Å; V1603-S1605 PolarHBondContact O-N 2.93Å |
| 1606 | G | 80 | Confident | 85.1 | Confident | 67 Ų | 67 | 47.3 Ų | 47.3 | 69% | 0.691 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 17.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | G1602 V1603 | G1602-G1606 CarbonylContact O-C 3.59Å; G1602-G1606 PolarHBondContact O-N 3.17Å; V1603-G1606 PolarHBondContact O-N 3.01Å |
| 1607 | Q | 81.4 | Confident | 85.2 | Confident | 164 Ų | 164 | 46.9 Ų | 46.9 | 77% | 0.766 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -92.1 | -20.8 | 177.6 | -69 | -177.7 | -5.4 | 0 | 0 | 114.4 | G1602 | G1602-Q1607 PolarHBondContact O-N 2.78Š|
| 1608 | K | 81 | Confident | 85.3 | Confident | 92 Ų | 92 | 46.8 Ų | 46.8 | 40% | 0.4 | 25% | 0.247 | S | C | . | . | trans | -133.4 | 152.6 | -179.9 | -72.4 | 178.2 | 174.8 | 175.2 | 0 | 109.9 | A1599 G1602 V1603 | A1599-K1608 HydrophobicContact CB-CD 4.27Å; G1602-K1608 PolarHBondContact O-N 3.5Å; G1602-K1608 VanDerWaalsContact O-N 3.14Å; V1603-K1608 WeakPolarHBondContact CA-O 3.36Å; V1603-K1608 HydrophobicContact CG2-CB 4.12Å; V1603-K1608 VanDerWaalsContact CG2-O 3.26Å; V1603-K1608 WeakPolarHBondContact CG2-O 3.32Å | ||
| 1609 | D | 81 | Confident | 85.3 | Confident | 137 Ų | 137 | 42.7 Ų | 42.7 | 73% | 0.733 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -96.9 | -17.3 | -175.7 | -60.9 | -24.4 | 0 | 0 | 0 | 114.1 | H1654 | D1609-H1654 PolarHBondContact O-ND1 3.44Å; D1609-H1654 VanDerWaalsContact O-ND1 3.15Å |
| 1610 | A | 84.5 | Confident | 85.4 | Confident | 27 Ų | 27 | 42.6 Ų | 42.6 | 22% | 0.223 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 142.2 | -170 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1599 P1612 L1653 H1654 | A1599-A1610 WeakPolarHBondContact CB-O 3.25Å; A1610-P1612 WeakPolarHBondContact O-CD 3.35Å; A1610-L1653 CarbonylContact C-O 3.54Å; A1610-L1653 WeakPolarHBondContact CA-O 3.39Å; A1610-H1654 WeakPolarHBondContact CB-CE1 3.33Å; A1610-H1654 WeakPolarHBondContact CB-ND1 3.44Å |
| 1611 | V | 90 | Very high | 85.5 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 103.8 | 168.6 | -172.5 | 0 | 0 | 0 | 0 | 108.9 | A1596 A1599 L1600 V1603 V1613 L1653 W1669 | A1596-V1611 HydrophobicContact CB-CG1 4.34Å; A1596-V1611 VanDerWaalsContact O-CG1 3.25Å; A1596-V1611 WeakPolarHBondContact O-CG1 3.27Å; A1599-V1611 HydrophobicContact CB-CB 4.47Å; A1599-V1611 HydrophobicContact CB-CG1 4.32Å; L1600-V1611 HydrophobicContact CB-CG1 4.22Å; L1600-V1611 HydrophobicContact CB-CG2 4.12Å; L1600-V1611 HydrophobicContact CD1-CG2 4.08Å; V1603-V1611 HydrophobicContact CB-CG2 4.02Å; V1603-V1611 HydrophobicContact CG1-CG2 4.43Å; V1603-V1611 HydrophobicContact CG2-CG2 3.69Å; V1611-V1613 HydrophobicContact CG1-CG2 4.13Å; V1611-V1613 PolarHBondContact O-N 2.84Å; V1611-L1653 HydrophobicContact CB-CB 4.12Å; V1611-L1653 HydrophobicContact CB-CD1 4.4Å; V1611-L1653 PolarHBondContact N-O 3.34Å; V1611-L1653 PolarHBondContact O-N 3.49Å; V1611-W1669 HydrophobicContact CG2-CZ3 4.28Å |
| 1612 | P | 89.5 | Confident | 85.8 | Confident | 21 Ų | 21 | 40.7 Ų | 40.7 | 14% | 0.136 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 118.5 | 174.8 | 31.2 | -31.4 | 0 | 0 | 0 | 110 | E1595 A1596 A1599 A1610 F1652 | E1595-P1612 HydrophobicContact CG-CG 4.05Å; A1596-P1612 VanDerWaalsContact CB-O 3.22Å; A1596-P1612 WeakPolarHBondContact CB-O 3.39Å; A1599-P1612 VanDerWaalsContact CB-CD 3.48Å; A1599-P1612 HydrophobicContact CB-CG 4.46Å; A1610-P1612 WeakPolarHBondContact O-CD 3.35Å; P1612-F1652 HydrophobicContact CB-CD1 3.91Å; P1612-F1652 HydrophobicContact CB-CE1 3.92Å |
| 1613 | V | 87.1 | Confident | 85.9 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.024 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 94 | 175.4 | -169 | 0 | 0 | 0 | 0 | 108.1 | L1562 V1588 V1611 A1616 L1651 L1653 | L1562-V1613 HydrophobicContact CD2-CB 4.4Å; L1562-V1613 HydrophobicContact CD2-CG1 3.95Å; L1562-V1613 HydrophobicContact CD2-CG2 4.03Å; V1588-V1613 HydrophobicContact CG1-CG1 4.01Å; V1611-V1613 HydrophobicContact CG1-CG2 4.13Å; V1611-V1613 PolarHBondContact O-N 2.84Å; V1613-A1616 HydrophobicContact CB-CB 4.49Å; V1613-A1616 HydrophobicContact CG1-CB 3.84Å; V1613-L1651 HydrophobicContact CB-CB 4.32Å; V1613-L1651 PolarHBondContact N-O 3.49Å; V1613-L1651 PolarHBondContact O-N 3.1Å; V1613-L1653 HydrophobicContact CG2-CD1 4.04Å; V1613-L1653 HydrophobicContact CG2-CG 4.49Å |
| 1614 | R | 85.1 | Confident | 85.8 | Confident | 153 Ų | 153 | 40.8 Ų | 40.8 | 58% | 0.577 | 22% | 0.217 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 143.7 | -176 | -55.3 | -168.6 | -168.4 | -143.6 | 1.5 | 111.4 | E1595 A1616 D1650 | E1595-R1614 IonicContact OE1-NH2 2.75Å; E1595-R1614 PolarHBondContact OE1-NH2 2.93Å; E1595-R1614 VanDerWaalsContact OE1-NH2 3.16Å; E1595-R1614 IonicContact OE2-CZ 3.53Å; E1595-R1614 IonicContact OE2-NE 2.91Å; E1595-R1614 PolarHBondContact OE2-NE 3.24Å; E1595-R1614 IonicContact OE2-NH2 3.86Å; E1595-R1614 PolarHBondContact OE2-NH2 3.48Å; R1614-A1616 PolarHBondContact O-N 3.47Å; R1614-D1650 WeakPolarHBondContact CA-OD1 3.18Å |
| 1615 | K | 81.3 | Confident | 85.3 | Confident | 90 Ų | 90 | 41.7 Ų | 41.7 | 39% | 0.391 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 56.8 | 43.5 | 169 | -65 | 173.3 | -178 | 176.9 | 0 | 114.3 | T1645 N1646 D1650 | K1615-T1645 WeakPolarHBondContact CB-O 3.39Å; K1615-N1646 WeakPolarHBondContact CE-OD1 3.33Å; K1615-N1646 PolarHBondContact NZ-OD1 3.17Å; K1615-D1650 PolarHBondContact N-OD1 3.06Å |
| 1616 | A | 82.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -40 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1564 R1586 V1588 V1613 R1614 A1649 L1651 | L1564-A1616 HydrophobicContact CD1-CB 3.98Å; L1564-A1616 WeakPolarHBondContact CD1-O 3.47Å; R1586-A1616 VanDerWaalsContact CD-O 3.26Å; R1586-A1616 WeakPolarHBondContact CD-O 3.49Å; R1586-A1616 PolarHBondContact NE-O 2.86Å; V1588-A1616 HydrophobicContact CG2-CB 4.14Å; V1613-A1616 HydrophobicContact CB-CB 4.49Å; V1613-A1616 HydrophobicContact CG1-CB 3.84Å; R1614-A1616 PolarHBondContact O-N 3.47Å; A1616-A1649 PolarHBondContact N-O 3Å; A1616-L1651 HydrophobicContact CB-CD1 3.81Å; A1616-L1651 HydrophobicContact CB-CG 4.12Å |
| 1617 | F | 86.9 | Confident | 84.7 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 120.9 | -160.5 | -179 | -119.7 | 0 | 0 | 0 | 114.4 | F1475 F1566 W1619 A1649 L1651 M1673 L1697 I1699 | F1475-F1617 AromaticContact CD2-CE2 3.87Å; F1475-F1617 HydrophobicContact CD2-CE2 3.87Å; F1475-F1617 HydrophobicContact CD2-CZ 4.38Å; F1475-F1617 AromaticContact CE2-CD2 3.75Å; F1475-F1617 HydrophobicContact CE2-CD2 3.75Å; F1475-F1617 AromaticContact CE2-CE2 3.23Å; F1475-F1617 HydrophobicContact CE2-CE2 3.23Å; F1475-F1617 HydrophobicContact CE2-CZ 4.02Å; F1475-F1617 HydrophobicContact CZ-CD2 4.15Å; F1475-F1617 AromaticContact CZ-CE2 3.94Å; F1475-F1617 HydrophobicContact CZ-CE2 3.94Å; F1566-F1617 HydrophobicContact CD1-CE2 4.4Å; F1566-F1617 HydrophobicContact CE1-CE2 4.46Å; F1617-W1619 HydrophobicContact CD1-CB 4.41Å; F1617-W1619 HydrophobicContact CE1-CB 4.28Å; F1617-W1619 PolarHBondContact O-N 3.41Å; F1617-A1649 HydrophobicContact CB-CB 4.38Å; F1617-A1649 HydrophobicContact CD1-CB 4.31Å; F1617-A1649 PolarHBondContact N-O 2.95Å; F1617-A1649 VanDerWaalsContact N-O 3.15Å; F1617-A1649 PolarHBondContact O-N 3.12Å; F1617-L1651 HydrophobicContact CB-CD1 4.07Å; F1617-L1651 HydrophobicContact CB-CD2 3.99Å; F1617-L1651 HydrophobicContact CB-CG 3.98Å; F1617-L1651 HydrophobicContact CG-CD2 4.35Å; F1617-M1673 HydrophobicContact CD1-SD 4.18Å; F1617-M1673 HydrophobicContact CE1-SD 4.06Å; F1617-L1697 HydrophobicContact CD1-CD2 4.2Å; F1617-L1697 HydrophobicContact CE1-CD2 4.02Å; F1617-L1697 HydrophobicContact CZ-CD2 4.38Å; F1617-I1699 HydrophobicContact CE1-CG1 4.08Å; F1617-I1699 HydrophobicContact CE2-CD1 3.98Å; F1617-I1699 HydrophobicContact CE2-CG1 4.16Å; F1617-I1699 HydrophobicContact CZ-CD1 3.62Å; F1617-I1699 HydrophobicContact CZ-CG1 3.35Å |
| 1618 | P | 86.7 | Confident | 84.9 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | trans | -82.1 | 104.1 | 173.5 | 31.4 | -30.5 | 0 | 0 | 0 | 110.8 | F1566 F1584 L1620 P1631 Y1648 | F1566-P1618 HydrophobicContact CE1-CG 4.43Å; F1584-P1618 HydrophobicContact CE1-CG 3.71Å; F1584-P1618 HydrophobicContact CZ-CG 3.93Å; P1618-L1620 VanDerWaalsContact C-N 3.31Å; P1618-L1620 PolarHBondContact O-N 3.41Å; P1618-P1631 HydrophobicContact CB-CB 4.33Å; P1618-P1631 HydrophobicContact CB-CG 4.22Å; P1618-P1631 HydrophobicContact CG-CG 4.49Å; P1618-Y1648 HydrophobicContact CB-CD1 4.48Å; P1618-Y1648 HydrophobicContact CB-CD2 4.38Å; P1618-Y1648 HydrophobicContact CB-CE1 4.23Å; P1618-Y1648 HydrophobicContact CB-CE2 4.04Å; P1618-Y1648 HydrophobicContact CG-CE2 4.2Å | ||
| 1619 | W | 87.6 | Confident | 85.2 | Confident | 15 Ų | 15 | 37.7 Ų | 37.7 | 6% | 0.057 | 21% | 0.209 | C | C | . | . | trans | -80.5 | -8.5 | -179.2 | 67.5 | -82.2 | 0 | 0 | 0 | 114.1 | F1506 Y1510 F1617 I1639 I1699 I1700 | F1506-W1619 AromaticContact CE2-CH2 3.76Å; F1506-W1619 HydrophobicContact CE2-CH2 3.76Å; F1506-W1619 AromaticContact CE2-CZ3 3.91Å; F1506-W1619 HydrophobicContact CE2-CZ3 3.91Å; F1506-W1619 HydrophobicContact CZ-CH2 4.29Å; Y1510-W1619 WeakPolarHBondContact OH-CH2 3.13Å; Y1510-W1619 WeakPolarHBondContact OH-CZ2 3.23Å; F1617-W1619 HydrophobicContact CD1-CB 4.41Å; F1617-W1619 HydrophobicContact CE1-CB 4.28Å; F1617-W1619 PolarHBondContact O-N 3.41Å; W1619-I1639 HydrophobicContact CZ2-CD1 4.35Å; W1619-I1699 CarbonylContact O-C 3.57Å; W1619-I1699 WeakPolarHBondContact O-CA 3.45Å; W1619-I1700 HydrophobicContact CE3-CD1 4.33Å; W1619-I1700 HydrophobicContact CE3-CG1 4.48Å; W1619-I1700 HydrophobicContact CZ3-CD1 3.81Å; W1619-I1700 HydrophobicContact CZ3-CG1 4.43Å; W1619-I1700 PolarHBondContact O-N 3.47Å | ||
| 1620 | L | 89.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 117.6 | 177.2 | -75.5 | 164.3 | 0 | 0 | 0 | 110.6 | F1506 P1618 P1631 A1632 I1635 L1636 I1639 I1700 F1702 | F1506-L1620 HydrophobicContact CE1-CD2 4.4Å; F1506-L1620 HydrophobicContact CE2-CD2 4.1Å; F1506-L1620 HydrophobicContact CZ-CD1 4.22Å; F1506-L1620 HydrophobicContact CZ-CD2 3.48Å; F1506-L1620 VanDerWaalsContact CZ-CD2 3.48Å; F1506-L1620 HydrophobicContact CZ-CG 4.46Å; P1618-L1620 VanDerWaalsContact C-N 3.31Å; P1618-L1620 PolarHBondContact O-N 3.41Å; L1620-P1631 WeakPolarHBondContact O-CA 3.22Å; L1620-A1632 HydrophobicContact CB-CB 4.29Å; L1620-A1632 PolarHBondContact O-N 2.9Å; L1620-I1635 HydrophobicContact CD1-CB 4.33Å; L1620-I1635 HydrophobicContact CD1-CG2 3.69Å; L1620-L1636 HydrophobicContact CB-CD1 3.71Å; L1620-L1636 HydrophobicContact CD1-CD1 4.46Å; L1620-I1639 HydrophobicContact CD1-CD1 4.33Å; L1620-I1700 HydrophobicContact CD2-CB 3.91Å; L1620-I1700 HydrophobicContact CD2-CD1 4.49Å; L1620-I1700 HydrophobicContact CD2-CG2 4.2Å; L1620-F1702 HydrophobicContact CD2-CE2 3.97Å; L1620-F1702 HydrophobicContact CD2-CZ 4.36Å |
| 1621 | V | 91.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 159.2 | -171.7 | -55.7 | 0 | 0 | 0 | 0 | 112.5 | F1566 F1568 V1629 H1630 I1699 I1700 A1701 F1702 | F1566-V1621 HydrophobicContact CE2-CG1 4.16Å; F1566-V1621 HydrophobicContact CZ-CG1 3.75Å; F1568-V1621 HydrophobicContact CE2-CG2 4.2Å; F1568-V1621 HydrophobicContact CZ-CG2 4.42Å; V1621-V1629 HydrophobicContact CB-CG1 3.74Å; V1621-V1629 HydrophobicContact CG1-CG1 4.41Å; V1621-V1629 HydrophobicContact CG2-CG1 3.87Å; V1621-H1630 CarbonylContact C-O 3.46Å; V1621-H1630 WeakPolarHBondContact CA-O 3.28Å; V1621-I1699 HydrophobicContact CG1-CG2 4.32Å; V1621-I1699 HydrophobicContact CG2-CG2 3.45Å; V1621-I1699 VanDerWaalsContact CG2-CG2 3.45Å; V1621-I1700 PolarHBondContact N-O 2.98Å; V1621-A1701 HydrophobicContact CG2-CB 3.84Å; V1621-A1701 CarbonylContact O-C 3.55Å; V1621-A1701 VanDerWaalsContact O-CA 3.25Å; V1621-A1701 WeakPolarHBondContact O-CA 3.45Å; V1621-F1702 WeakPolarHBondContact O-CD2 3.15Å; V1621-F1702 PolarHBondContact O-N 3.37Å |
| 1622 | V | 91.9 | Very high | 85.5 | Confident | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.024 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 128.8 | 177.4 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | F1518 P1624 V1629 H1630 A1632 F1702 | F1518-V1622 HydrophobicContact CE2-CG2 4.16Å; F1518-V1622 HydrophobicContact CZ-CG2 3.58Å; V1622-P1624 VanDerWaalsContact O-CD 3.23Å; V1622-P1624 WeakPolarHBondContact O-CD 3.4Å; V1622-V1629 WeakPolarHBondContact O-CG1 3.49Å; V1622-H1630 PolarHBondContact N-O 3.43Å; V1622-H1630 PolarHBondContact O-N 2.89Å; V1622-A1632 HydrophobicContact CG2-CB 3.92Å; V1622-F1702 CarbonylContact C-O 3.56Å; V1622-F1702 WeakPolarHBondContact CA-O 3.36Å; V1622-F1702 HydrophobicContact CG2-CB 4.41Å; V1622-F1702 HydrophobicContact CG2-CD2 4.49Å |
| 1623 | L | 90.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 94.2 | 176.5 | -176.2 | 63.4 | 0 | 0 | 0 | 108.7 | P1470 F1568 R1570 H1582 V1629 F1702 V1703 D1704 | P1470-L1623 HydrophobicContact CB-CD2 4.13Å; P1470-L1623 HydrophobicContact CG-CD2 3.94Å; F1568-L1623 HydrophobicContact CB-CD1 3.77Å; F1568-L1623 HydrophobicContact CB-CD2 4.11Å; F1568-L1623 HydrophobicContact CD2-CD1 4.49Å; F1568-L1623 HydrophobicContact CG-CD1 4.28Å; F1568-L1623 HydrophobicContact CG-CD2 4.41Å; R1570-L1623 HydrophobicContact CG-CD2 4.44Å; R1570-L1623 PolarHBondContact NH2-O 2.9Å; H1582-L1623 HydrophobicContact CB-CD1 3.42Å; H1582-L1623 VanDerWaalsContact CB-CD1 3.42Å; L1623-V1629 HydrophobicContact CD1-CG2 3.62Å; L1623-F1702 PolarHBondContact N-O 2.84Å; L1623-V1703 HydrophobicContact CB-CG2 4.29Å; L1623-V1703 HydrophobicContact CD2-CG1 4.16Å; L1623-V1703 HydrophobicContact CD2-CG2 4.05Å; L1623-D1704 PolarHBondContact O-N 3.31Å |
| 1624 | P | 86.4 | Confident | 84.9 | Confident | 13 Ų | 13 | 38.4 Ų | 38.4 | 8% | 0.084 | 20% | 0.2 | C | C | . | . | trans | -71.6 | 163 | -176.9 | 30.9 | -36.7 | 0 | 0 | 0 | 112.6 | R1570 H1582 V1622 L1626 P1628 D1704 | R1570-P1624 PolarHBondContact NH2-O 3.32Å; H1582-P1624 PolarHBondContact CE1-O 3.34Å; V1622-P1624 VanDerWaalsContact O-CD 3.23Å; V1622-P1624 WeakPolarHBondContact O-CD 3.4Å; P1624-L1626 VanDerWaalsContact C-N 3.31Å; P1624-L1626 PolarHBondContact O-N 3.32Å; P1624-P1628 WeakPolarHBondContact CG-O 3.25Å; P1624-D1704 WeakPolarHBondContact CA-OD2 3.31Å | ||
| 1625 | A | 75.4 | Confident | 84.6 | Confident | 34 Ų | 34 | 31.1 Ų | 31.1 | 28% | 0.281 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -64.8 | -35.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1704 V1706 | A1625-D1704 HydrophobicContact CB-CB 4.22Å; A1625-V1706 HydrophobicContact CB-CG2 4.3Å |
| 1626 | L | 73.5 | Confident | 84.4 | Confident | 157 Ų | 157 | 27 Ų | 27 | 82% | 0.822 | 16% | 0.155 | S | C | * | . | S | Bend | trans | -138.4 | 132.1 | 174.8 | -73.3 | 157.2 | 0 | 0 | 0 | 108.1 | P1624 | P1624-L1626 VanDerWaalsContact C-N 3.31Å; P1624-L1626 PolarHBondContact O-N 3.32Å |
| 1627 | G | 77.3 | Confident | 83.9 | Confident | 39 Ų | 39 | 29.5 Ų | 29.5 | 40% | 0.402 | 17% | 0.168 | S | C | . | . | S | Bend | trans | 114.1 | 177.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | H1582 | H1582-G1627 PolarHBondContact ND1-O 2.94Š|
| 1628 | P | 83.9 | Confident | 83.1 | Confident | 89 Ų | 89 | 31.6 Ų | 31.6 | 58% | 0.578 | 19% | 0.185 | S | C | * | . | trans | -72.9 | 155.9 | -177.5 | 30.8 | -35 | 0 | 0 | 0 | 112.3 | S1583 P1624 | S1583-P1628 WeakPolarHBondContact O-CB 3.48Å; P1624-P1628 WeakPolarHBondContact CG-O 3.25Å | ||
| 1629 | V | 88 | Confident | 82.1 | Confident | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.024 | 20% | 0.197 | C | C | . | . | trans | -68 | 138.4 | 173.6 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | F1566 F1568 H1582 S1583 F1584 V1621 V1622 L1623 | F1566-V1629 HydrophobicContact CE2-CB 4.31Å; F1566-V1629 HydrophobicContact CE2-CG1 3.74Å; F1566-V1629 HydrophobicContact CZ-CG1 4.4Å; F1568-V1629 HydrophobicContact CD2-CG2 3.96Å; F1568-V1629 HydrophobicContact CE2-CG1 4.44Å; H1582-V1629 HydrophobicContact CB-CG2 3.56Å; S1583-V1629 PolarHBondContact O-N 3.5Å; F1584-V1629 HydrophobicContact CB-CB 4.1Å; F1584-V1629 VanDerWaalsContact CD2-O 3.23Å; F1584-V1629 WeakPolarHBondContact CD2-O 3.36Å; V1621-V1629 HydrophobicContact CB-CG1 3.74Å; V1621-V1629 HydrophobicContact CG1-CG1 4.41Å; V1621-V1629 HydrophobicContact CG2-CG1 3.87Å; V1622-V1629 WeakPolarHBondContact O-CG1 3.49Å; L1623-V1629 HydrophobicContact CD1-CG2 3.62Å | ||
| 1630 | H | 88.9 | Confident | 80.8 | Confident | 69 Ų | 69 | 34.5 Ų | 34.5 | 32% | 0.319 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 152 | -179.7 | 57.4 | -81.4 | 0 | 0 | 0 | 111.2 | V1621 V1622 | V1621-H1630 CarbonylContact C-O 3.46Å; V1621-H1630 WeakPolarHBondContact CA-O 3.28Å; V1622-H1630 PolarHBondContact N-O 3.43Å; V1622-H1630 PolarHBondContact O-N 2.89Å |
| 1631 | P | 86.5 | Confident | 79.5 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 147.3 | 176.9 | -21.9 | 33.4 | 0 | 0 | 0 | 112.1 | F1584 P1618 L1620 Y1633 L1636 | F1584-P1631 HydrophobicContact CE2-CG 4.03Å; F1584-P1631 HydrophobicContact CZ-CG 4.15Å; P1618-P1631 HydrophobicContact CB-CB 4.33Å; P1618-P1631 HydrophobicContact CB-CG 4.22Å; P1618-P1631 HydrophobicContact CG-CG 4.49Å; L1620-P1631 WeakPolarHBondContact O-CA 3.22Å; P1631-Y1633 VanDerWaalsContact C-N 3.26Å; P1631-Y1633 HydrophobicContact CB-CD1 4.48Å; P1631-Y1633 HydrophobicContact CB-CE1 4.19Å; P1631-Y1633 HydrophobicContact CG-CE1 4.3Å; P1631-Y1633 VanDerWaalsContact O-CD2 3.3Å; P1631-Y1633 WeakPolarHBondContact O-CD2 3.42Å; P1631-Y1633 PolarHBondContact O-N 2.89Å; P1631-L1636 HydrophobicContact CB-CD1 4.31Å; P1631-L1636 HydrophobicContact CB-CD2 4.47Å |
| 1632 | A | 86.9 | Confident | 78 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | trans | -75.7 | 74.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F1518 L1620 V1622 S1634 I1635 L1636 F1702 | F1518-A1632 HydrophobicContact CE1-CB 4.12Å; F1518-A1632 HydrophobicContact CZ-CB 4.22Å; L1620-A1632 HydrophobicContact CB-CB 4.29Å; L1620-A1632 PolarHBondContact O-N 2.9Å; V1622-A1632 HydrophobicContact CG2-CB 3.92Å; A1632-S1634 PolarHBondContact O-N 2.98Å; A1632-S1634 VanDerWaalsContact O-N 3.1Å; A1632-I1635 HydrophobicContact CB-CD1 4.25Å; A1632-I1635 HydrophobicContact CB-CG1 4.49Å; A1632-I1635 PolarHBondContact O-N 3.38Å; A1632-L1636 HydrophobicContact CB-CD1 4.17Å; A1632-L1636 WeakPolarHBondContact O-CD1 3.35Å; A1632-L1636 PolarHBondContact O-N 3.12Å; A1632-F1702 HydrophobicContact CB-CD2 4.22Å; A1632-F1702 HydrophobicContact CB-CE2 4.17Å | ||
| 1633 | Y | 83.7 | Confident | 76.6 | Confident | 110 Ų | 110 | 49.5 Ų | 49.5 | 43% | 0.431 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -50.7 | -39.1 | -171.7 | -61.6 | -68.4 | 0 | 0 | 0 | 113.8 | P1631 I1635 L1636 D1637 | P1631-Y1633 VanDerWaalsContact C-N 3.26Å; P1631-Y1633 HydrophobicContact CB-CD1 4.48Å; P1631-Y1633 HydrophobicContact CB-CE1 4.19Å; P1631-Y1633 HydrophobicContact CG-CE1 4.3Å; P1631-Y1633 VanDerWaalsContact O-CD2 3.3Å; P1631-Y1633 WeakPolarHBondContact O-CD2 3.42Å; P1631-Y1633 PolarHBondContact O-N 2.89Å; Y1633-I1635 PolarHBondContact O-N 2.98Å; Y1633-L1636 PolarHBondContact O-N 3.25Å; Y1633-D1637 VanDerWaalsContact O-CB 3.27Å; Y1633-D1637 WeakPolarHBondContact O-CB 3.49Å; Y1633-D1637 PolarHBondContact O-N 3.34Å |
| 1634 | S | 80.1 | Confident | 75.3 | Confident | 26 Ų | 26 | 57 Ų | 57 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.2 | -32.4 | 177.7 | 50.5 | 0 | 0 | 0 | 0 | 114.1 | F1518 A1632 | F1518-S1634 VanDerWaalsContact CB-OG 3.3Å; F1518-S1634 WeakPolarHBondContact CB-OG 3.09Å; F1518-S1634 WeakPolarHBondContact CD1-OG 3.21Å; F1518-S1634 VanDerWaalsContact CD2-OG 3.28Å; F1518-S1634 WeakPolarHBondContact CD2-OG 3.12Å; F1518-S1634 WeakPolarHBondContact CG-OG 2.94Å; A1632-S1634 PolarHBondContact O-N 2.98Å; A1632-S1634 VanDerWaalsContact O-N 3.1Å |
| 1635 | I | 78.7 | Confident | 74.3 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -90.5 | -42.5 | 177.5 | -53.9 | 173.7 | 0 | 0 | 0 | 110 | F1506 Y1510 A1515 F1518 L1519 L1620 A1632 Y1633 D1637 A1638 F1702 | F1506-I1635 HydrophobicContact CE1-CD1 4.3Å; Y1510-I1635 HydrophobicContact CD1-CG2 4.26Å; Y1510-I1635 HydrophobicContact CD2-CG2 4.33Å; Y1510-I1635 HydrophobicContact CE1-CG2 4.27Å; Y1510-I1635 HydrophobicContact CE2-CG2 4.36Å; Y1510-I1635 HydrophobicContact CG-CG2 4.3Å; A1515-I1635 HydrophobicContact CB-CG1 4.39Å; F1518-I1635 HydrophobicContact CD1-CD1 3.68Å; F1518-I1635 HydrophobicContact CD1-CG1 3.83Å; F1518-I1635 HydrophobicContact CE1-CD1 3.75Å; F1518-I1635 HydrophobicContact CE1-CG1 4.25Å; L1519-I1635 HydrophobicContact CD2-CD1 3.94Å; L1519-I1635 HydrophobicContact CG-CD1 4.34Å; L1620-I1635 HydrophobicContact CD1-CB 4.33Å; L1620-I1635 HydrophobicContact CD1-CG2 3.69Å; A1632-I1635 HydrophobicContact CB-CD1 4.25Å; A1632-I1635 HydrophobicContact CB-CG1 4.49Å; A1632-I1635 PolarHBondContact O-N 3.38Å; Y1633-I1635 PolarHBondContact O-N 2.98Å; I1635-D1637 PolarHBondContact O-N 2.8Å; I1635-A1638 WeakPolarHBondContact O-CB 3.36Å; I1635-A1638 PolarHBondContact O-N 2.91Å; I1635-A1638 VanDerWaalsContact O-N 3.17Å; I1635-F1702 HydrophobicContact CD1-CE1 4.38Å; I1635-F1702 HydrophobicContact CD1-CE2 3.65Å; I1635-F1702 HydrophobicContact CD1-CZ 3.48Å; I1635-F1702 VanDerWaalsContact CD1-CZ 3.48Å |
| 1636 | L | 76.2 | Confident | 73.9 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.016 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64 | -38 | -179.4 | -81.5 | 92.8 | 0 | 0 | 0 | 112.9 | L1620 P1631 A1632 Y1633 A1638 I1639 S1647 Y1648 | L1620-L1636 HydrophobicContact CB-CD1 3.71Å; L1620-L1636 HydrophobicContact CD1-CD1 4.46Å; P1631-L1636 HydrophobicContact CB-CD1 4.31Å; P1631-L1636 HydrophobicContact CB-CD2 4.47Å; A1632-L1636 HydrophobicContact CB-CD1 4.17Å; A1632-L1636 WeakPolarHBondContact O-CD1 3.35Å; A1632-L1636 PolarHBondContact O-N 3.12Å; Y1633-L1636 PolarHBondContact O-N 3.25Å; L1636-A1638 PolarHBondContact O-N 2.87Å; L1636-I1639 PolarHBondContact O-N 3.43Å; L1636-I1639 VanDerWaalsContact O-N 3.09Å; L1636-S1647 WeakPolarHBondContact O-CB 3.15Å; L1636-S1647 PolarHBondContact O-OG 3.34Å; L1636-Y1648 HydrophobicContact CD2-CD1 3.62Å; L1636-Y1648 HydrophobicContact CD2-CE1 3.32Å |
| 1637 | D | 72.4 | Confident | 73.8 | Confident | 52 Ų | 52 | 53 Ų | 53 | 28% | 0.278 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.8 | -29 | 177.3 | -72.1 | -11.2 | 0 | 0 | 0 | 111.4 | Y1633 I1635 I1639 G1641 | Y1633-D1637 VanDerWaalsContact O-CB 3.27Å; Y1633-D1637 WeakPolarHBondContact O-CB 3.49Å; Y1633-D1637 PolarHBondContact O-N 3.34Å; I1635-D1637 PolarHBondContact O-N 2.8Å; D1637-I1639 VanDerWaalsContact C-N 3.27Å; D1637-I1639 PolarHBondContact O-N 2.93Å; D1637-G1641 PolarHBondContact O-N 2.94Å |
| 1638 | A | 69.7 | Low | 74.2 | Confident | 45 Ų | 45 | 52 Ų | 52 | 37% | 0.372 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -70.3 | -21.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1512 A1515 I1635 L1636 | S1512-A1638 VanDerWaalsContact OG-CB 3.26Å; S1512-A1638 WeakPolarHBondContact OG-CB 3.44Å; A1515-A1638 HydrophobicContact CB-CB 4.41Å; I1635-A1638 WeakPolarHBondContact O-CB 3.36Å; I1635-A1638 PolarHBondContact O-N 2.91Å; I1635-A1638 VanDerWaalsContact O-N 3.17Å; L1636-A1638 PolarHBondContact O-N 2.87Å |
| 1639 | I | 67.4 | Low | 74.2 | Confident | 49 Ų | 49 | 47.8 Ų | 47.8 | 25% | 0.251 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -85.9 | -35.5 | -175.5 | -66.1 | 169.3 | 0 | 0 | 0 | 112.2 | Y1510 W1619 L1620 L1636 D1637 P1676 | Y1510-I1639 HydrophobicContact CD1-CG1 4.43Å; Y1510-I1639 HydrophobicContact CE1-CD1 3.76Å; Y1510-I1639 HydrophobicContact CE1-CG1 3.6Å; W1619-I1639 HydrophobicContact CZ2-CD1 4.35Å; L1620-I1639 HydrophobicContact CD1-CD1 4.33Å; L1636-I1639 PolarHBondContact O-N 3.43Å; L1636-I1639 VanDerWaalsContact O-N 3.09Å; D1637-I1639 VanDerWaalsContact C-N 3.27Å; D1637-I1639 PolarHBondContact O-N 2.93Å; I1639-P1676 HydrophobicContact CG2-CG 4.43Å |
| 1640 | S | 60 | Low | 74.2 | Confident | 29 Ų | 29 | 49.6 Ų | 49.6 | 20% | 0.203 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -133.3 | 10 | -163.6 | 75.7 | 0 | 0 | 0 | 0 | 116.8 | N1643 S1647 | S1640-N1643 PolarHBondContact OG-O 3.43Å; S1640-N1643 VanDerWaalsContact OG-O 3.06Å; S1640-S1647 WeakPolarHBondContact OG-CB 3.2Å; S1640-S1647 PolarHBondContact OG-N 2.97Å; S1640-S1647 PolarHBondContact OG-OG 3.22Å |
| 1641 | G | 60.9 | Low | 74.1 | Confident | 45 Ų | 45 | 46.3 Ų | 46.3 | 46% | 0.464 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | -152.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | D1637 N1643 | D1637-G1641 PolarHBondContact O-N 2.94Å; G1641-N1643 PolarHBondContact O-N 3.47Å |
| 1642 | D | 60.3 | Low | 74.3 | Confident | 171 Ų | 171 | 49.4 Ų | 49.4 | 91% | 0.914 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -20.9 | -171.2 | -82.3 | -24.2 | 0 | 0 | 0 | 115.4 | R1644 | D1642-R1644 PolarHBondContact O-N 3.45Š|
| 1643 | N | 62.8 | Low | 74.5 | Confident | 103 Ų | 103 | 49.5 Ų | 49.5 | 55% | 0.551 | 26% | 0.264 | S | S | * | . | trans | -91.1 | 84.5 | -179 | -98.4 | -23.9 | 0 | 0 | 0 | 111.5 | S1640 G1641 T1645 N1646 | S1640-N1643 PolarHBondContact OG-O 3.43Å; S1640-N1643 VanDerWaalsContact OG-O 3.06Å; G1641-N1643 PolarHBondContact O-N 3.47Å; N1643-T1645 PolarHBondContact O-N 2.9Å; N1643-N1646 HydrophobicContact CB-CB 4.38Å; N1643-N1646 VanDerWaalsContact CB-ND2 3.32Å; N1643-N1646 WeakPolarHBondContact CB-ND2 3.26Å; N1643-N1646 VanDerWaalsContact O-CB 3.28Å; N1643-N1646 WeakPolarHBondContact O-CB 3.38Å; N1643-N1646 PolarHBondContact O-N 3.33Å | ||
| 1644 | R | 62.5 | Low | 74.7 | Confident | 156 Ų | 156 | 46.8 Ų | 46.8 | 59% | 0.589 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.7 | -27.3 | 179.2 | -64.4 | -177.6 | 175.9 | 164.6 | 2.1 | 116.1 | D1642 S1647 Y1648 | D1642-R1644 PolarHBondContact O-N 3.45Å; R1644-S1647 PolarHBondContact O-OG 3.28Å; R1644-Y1648 WeakPolarHBondContact O-CE1 3.42Å |
| 1645 | T | 65.2 | Low | 75.1 | Confident | 64 Ų | 64 | 46.7 Ų | 46.7 | 39% | 0.393 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -20.3 | 179.4 | 53.3 | 0 | 0 | 0 | 0 | 112.9 | K1615 N1643 S1647 Y1648 | K1615-T1645 WeakPolarHBondContact CB-O 3.39Å; N1643-T1645 PolarHBondContact O-N 2.9Å; T1645-S1647 PolarHBondContact O-N 3.03Å; T1645-Y1648 PolarHBondContact O-N 3.04Å |
| 1646 | N | 66.3 | Low | 75.4 | Confident | 58 Ų | 58 | 50 Ų | 50 | 31% | 0.31 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -21.3 | 179.3 | -72.3 | -14.5 | 0 | 0 | 0 | 112.9 | K1615 N1643 Y1648 | K1615-N1646 WeakPolarHBondContact CE-OD1 3.33Å; K1615-N1646 PolarHBondContact NZ-OD1 3.17Å; N1643-N1646 HydrophobicContact CB-CB 4.38Å; N1643-N1646 VanDerWaalsContact CB-ND2 3.32Å; N1643-N1646 WeakPolarHBondContact CB-ND2 3.26Å; N1643-N1646 VanDerWaalsContact O-CB 3.28Å; N1643-N1646 WeakPolarHBondContact O-CB 3.38Å; N1643-N1646 PolarHBondContact O-N 3.33Å; N1646-Y1648 VanDerWaalsContact C-N 3.33Å |
| 1647 | S | 72.8 | Confident | 75.6 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -3.4 | 177.3 | 41.2 | 0 | 0 | 0 | 0 | 114.9 | L1636 S1640 R1644 T1645 | L1636-S1647 WeakPolarHBondContact O-CB 3.15Å; L1636-S1647 PolarHBondContact O-OG 3.34Å; S1640-S1647 WeakPolarHBondContact OG-CB 3.2Å; S1640-S1647 PolarHBondContact OG-N 2.97Å; S1640-S1647 PolarHBondContact OG-OG 3.22Å; R1644-S1647 PolarHBondContact O-OG 3.28Å; T1645-S1647 PolarHBondContact O-N 3.03Å |
| 1648 | Y | 85.2 | Confident | 75.9 | Confident | 18 Ų | 18 | 54.1 Ų | 54.1 | 7% | 0.071 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -84.4 | 146.8 | -177.1 | -73.9 | 23.6 | 0 | 0 | 0 | 109.9 | P1618 L1636 R1644 T1645 N1646 | P1618-Y1648 HydrophobicContact CB-CD1 4.48Å; P1618-Y1648 HydrophobicContact CB-CD2 4.38Å; P1618-Y1648 HydrophobicContact CB-CE1 4.23Å; P1618-Y1648 HydrophobicContact CB-CE2 4.04Å; P1618-Y1648 HydrophobicContact CG-CE2 4.2Å; L1636-Y1648 HydrophobicContact CD2-CD1 3.62Å; L1636-Y1648 HydrophobicContact CD2-CE1 3.32Å; R1644-Y1648 WeakPolarHBondContact O-CE1 3.42Å; T1645-Y1648 PolarHBondContact O-N 3.04Å; N1646-Y1648 VanDerWaalsContact C-N 3.33Å |
| 1649 | A | 84.1 | Confident | 75.7 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 145.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A1616 F1617 S1674 | A1616-A1649 PolarHBondContact N-O 3Å; F1617-A1649 HydrophobicContact CB-CB 4.38Å; F1617-A1649 HydrophobicContact CD1-CB 4.31Å; F1617-A1649 PolarHBondContact N-O 2.95Å; F1617-A1649 VanDerWaalsContact N-O 3.15Å; F1617-A1649 PolarHBondContact O-N 3.12Å; A1649-S1674 WeakPolarHBondContact CA-O 3.42Å; A1649-S1674 WeakPolarHBondContact CB-O 3.47Å |
| 1650 | D | 87.2 | Confident | 75.5 | Confident | 41 Ų | 41 | 60.9 Ų | 60.9 | 22% | 0.219 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 135.8 | 172.2 | -69.2 | -19.5 | 0 | 0 | 0 | 109.1 | R1614 K1615 F1652 M1673 S1674 | R1614-D1650 WeakPolarHBondContact CA-OD1 3.18Å; K1615-D1650 PolarHBondContact N-OD1 3.06Å; D1650-F1652 HydrophobicContact CB-CE2 4.21Å; D1650-F1652 HydrophobicContact CB-CZ 4.45Å; D1650-M1673 CarbonylContact O-C 3.51Å; D1650-M1673 VanDerWaalsContact O-CA 3.25Å; D1650-M1673 WeakPolarHBondContact O-CA 3.42Å; D1650-S1674 PolarHBondContact N-O 2.95Å; D1650-S1674 PolarHBondContact O-N 3.3Å |
| 1651 | L | 88.6 | Confident | 75.6 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 141 | 176.4 | -66.3 | 176 | 0 | 0 | 0 | 110.1 | I1477 L1564 V1613 A1616 F1617 V1671 M1673 L1697 | I1477-L1651 HydrophobicContact CD1-CD1 4.24Å; L1564-L1651 HydrophobicContact CD1-CD1 3.97Å; L1564-L1651 HydrophobicContact CD2-CD1 3.76Å; V1613-L1651 HydrophobicContact CB-CB 4.32Å; V1613-L1651 PolarHBondContact N-O 3.49Å; V1613-L1651 PolarHBondContact O-N 3.1Å; A1616-L1651 HydrophobicContact CB-CD1 3.81Å; A1616-L1651 HydrophobicContact CB-CG 4.12Å; F1617-L1651 HydrophobicContact CB-CD1 4.07Å; F1617-L1651 HydrophobicContact CB-CD2 3.99Å; F1617-L1651 HydrophobicContact CB-CG 3.98Å; F1617-L1651 HydrophobicContact CG-CD2 4.35Å; L1651-V1671 HydrophobicContact CD2-CG1 4.08Å; L1651-M1673 HydrophobicContact CD2-CB 4.11Å; L1651-L1697 HydrophobicContact CD2-CD2 3.49Å; L1651-L1697 VanDerWaalsContact CD2-CD2 3.49Å |
| 1652 | F | 90.2 | Very high | 75.4 | Confident | 67 Ų | 67 | 72.5 Ų | 72.5 | 29% | 0.294 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 119.4 | 172.4 | -57.4 | -91.3 | 0 | 0 | 0 | 108.7 | P1612 D1650 V1671 S1672 | P1612-F1652 HydrophobicContact CB-CD1 3.91Å; P1612-F1652 HydrophobicContact CB-CE1 3.92Å; D1650-F1652 HydrophobicContact CB-CE2 4.21Å; D1650-F1652 HydrophobicContact CB-CZ 4.45Å; F1652-V1671 WeakPolarHBondContact O-CA 3.39Å; F1652-S1672 WeakPolarHBondContact CB-OG 3.18Å; F1652-S1672 PolarHBondContact N-O 3.16Å; F1652-S1672 PolarHBondContact O-N 2.88Å |
| 1653 | L | 89.6 | Confident | 75.3 | Confident | 3 Ų | 3 | 70.7 Ų | 70.7 | 2% | 0.016 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 119.1 | -179.8 | -49.3 | 167.3 | 0 | 0 | 0 | 109.4 | I1477 L1485 L1562 A1610 V1611 V1613 W1669 E1670 V1671 | I1477-L1653 HydrophobicContact CD1-CD2 3.85Å; I1477-L1653 HydrophobicContact CG2-CD2 4.42Å; L1485-L1653 HydrophobicContact CD1-CD1 4.25Å; L1562-L1653 HydrophobicContact CD1-CD1 4.14Å; L1562-L1653 HydrophobicContact CD2-CD1 4.37Å; A1610-L1653 CarbonylContact C-O 3.54Å; A1610-L1653 WeakPolarHBondContact CA-O 3.39Å; V1611-L1653 HydrophobicContact CB-CB 4.12Å; V1611-L1653 HydrophobicContact CB-CD1 4.4Å; V1611-L1653 PolarHBondContact N-O 3.34Å; V1611-L1653 PolarHBondContact O-N 3.49Å; V1613-L1653 HydrophobicContact CG2-CD1 4.04Å; V1613-L1653 HydrophobicContact CG2-CG 4.49Å; L1653-W1669 HydrophobicContact CB-CE3 3.9Å; L1653-W1669 HydrophobicContact CB-CZ3 4.03Å; L1653-E1670 CarbonylContact C-O 3.59Å; L1653-E1670 WeakPolarHBondContact CA-O 3.46Å; L1653-V1671 HydrophobicContact CD2-CG1 4.28Å; L1653-V1671 HydrophobicContact CD2-CG2 3.73Å |
| 1654 | H | 89.7 | Confident | 75.2 | Confident | 52 Ų | 52 | 73.9 Ų | 73.9 | 24% | 0.241 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 137.3 | 177.1 | -61.2 | -85 | 0 | 0 | 0 | 110 | D1609 A1610 W1669 E1670 | D1609-H1654 PolarHBondContact O-ND1 3.44Å; D1609-H1654 VanDerWaalsContact O-ND1 3.15Å; A1610-H1654 WeakPolarHBondContact CB-CE1 3.33Å; A1610-H1654 WeakPolarHBondContact CB-ND1 3.44Å; H1654-W1669 CarbonylContact O-C 3.53Å; H1654-W1669 VanDerWaalsContact O-CA 3.27Å; H1654-W1669 WeakPolarHBondContact O-CA 3.37Å; H1654-E1670 HydrophobicContact CB-CB 4.15Å; H1654-E1670 PolarHBondContact N-O 2.92Å; H1654-E1670 PolarHBondContact O-N 3.36Å |
| 1655 | L | 87.9 | Confident | 75.6 | Confident | 25 Ų | 25 | 68.7 Ų | 68.7 | 13% | 0.131 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 118.3 | 175.7 | 179.5 | 66.1 | 0 | 0 | 0 | 109.2 | W1540 V1603 V1657 Q1667 W1669 | W1540-L1655 HydrophobicContact CE3-CD1 3.99Å; W1540-L1655 HydrophobicContact CZ3-CD1 4.21Å; W1540-L1655 HydrophobicContact CZ3-CD2 4.49Å; V1603-L1655 HydrophobicContact CG1-CB 3.39Å; V1603-L1655 HydrophobicContact CG1-CD2 3.87Å; V1603-L1655 HydrophobicContact CG1-CG 4.28Å; L1655-V1657 HydrophobicContact CD2-CG2 4.38Å; L1655-V1657 HydrophobicContact CG-CG2 4.2Å; L1655-Q1667 HydrophobicContact CD1-CB 4.27Å; L1655-W1669 HydrophobicContact CB-CD2 4.47Å; L1655-W1669 HydrophobicContact CB-CE3 4.15Å; L1655-W1669 HydrophobicContact CB-CH2 4.19Å; L1655-W1669 HydrophobicContact CB-CZ2 4.49Å; L1655-W1669 HydrophobicContact CB-CZ3 4.01Å; L1655-W1669 HydrophobicContact CD1-CD2 4.05Å; L1655-W1669 HydrophobicContact CD1-CG 4.43Å; L1655-W1669 HydrophobicContact CD1-CZ2 3.99Å |
| 1656 | H | 85.6 | Confident | 76.3 | Confident | 69 Ų | 69 | 69.2 Ų | 69.2 | 32% | 0.319 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 134.3 | 173.3 | -74.2 | -73.6 | 0 | 0 | 0 | 110.2 | Q1667 W1668 E1670 | H1656-Q1667 VanDerWaalsContact O-CA 3.28Å; H1656-Q1667 WeakPolarHBondContact O-CA 3.45Å; H1656-W1668 HydrophobicContact CB-CD2 3.91Å; H1656-W1668 VanDerWaalsContact CB-CE2 3.46Å; H1656-W1668 HydrophobicContact CB-CE3 4.45Å; H1656-W1668 HydrophobicContact CB-CG 4.38Å; H1656-W1668 HydrophobicContact CB-CH2 4.25Å; H1656-W1668 HydrophobicContact CB-CZ2 3.65Å; H1656-W1668 AromaticContact CD2-NE1 3.77Å; H1656-W1668 AromaticContact CG-NE1 3.95Å; H1656-W1668 PolarHBondContact N-O 3.48Å; H1656-W1668 PolarHBondContact O-N 3.43Å; H1656-W1668 VanDerWaalsContact O-N 3.15Å; H1656-E1670 IonicContact CD2-OE2 3.1Å; H1656-E1670 IonicContact CE1-OE2 2.6Å; H1656-E1670 IonicContact NE2-OE2 3Å; H1656-E1670 PolarHBondContact NE2-OE2 2.87Å |
| 1657 | V | 80.5 | Confident | 77.2 | Confident | 75 Ų | 75 | 68 Ų | 68 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 119.6 | 179.1 | -173.8 | 0 | 0 | 0 | 0 | 108.9 | L1655 A1665 Q1667 | L1655-V1657 HydrophobicContact CD2-CG2 4.38Å; L1655-V1657 HydrophobicContact CG-CG2 4.2Å; V1657-A1665 HydrophobicContact CG1-CB 4.17Å; V1657-Q1667 HydrophobicContact CB-CG 4.47Å; V1657-Q1667 HydrophobicContact CG1-CG 4.13Å; V1657-Q1667 HydrophobicContact CG2-CG 4.08Å |
| 1658 | T | 78.8 | Confident | 78 | Confident | 66 Ų | 66 | 70.9 Ų | 70.9 | 41% | 0.405 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 122 | 175.5 | -54.4 | 0 | 0 | 0 | 0 | 109.7 | A1665 T1666 W1668 | T1658-A1665 WeakPolarHBondContact O-CA 3.22Å; T1658-T1666 PolarHBondContact N-O 2.92Å; T1658-T1666 PolarHBondContact O-N 2.95Å; T1658-W1668 WeakPolarHBondContact OG1-CH2 3.4Å; T1658-W1668 WeakPolarHBondContact OG1-CZ3 3.37Å |
| 1659 | K | 65.2 | Low | 78.2 | Confident | 190 Ų | 190 | 70 Ų | 70 | 83% | 0.826 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89 | 108.5 | 171.4 | -72.1 | -176.5 | 179.3 | 179.3 | 0 | 109.2 | ||
| 1660 | G | 62.1 | Low | 78.5 | Confident | 46 Ų | 46 | 71.7 Ų | 71.7 | 47% | 0.474 | 39% | 0.391 | S | S | . | . | trans | -77.2 | 161.8 | 168 | 0 | 0 | 0 | 0 | 0 | 111.8 | D1662 | G1660-D1662 PolarHBondContact O-N 3.22Š| ||
| 1661 | N | 62.1 | Low | 78.6 | Confident | 179 Ų | 179 | 69.8 Ų | 69.8 | 96% | 0.957 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -63.1 | -20.1 | 176.1 | -88.8 | -7.2 | 0 | 0 | 0 | 113.4 | ||
| 1662 | D | 57.7 | Low | 78.5 | Confident | 140 Ų | 140 | 71 Ų | 71 | 75% | 0.749 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -103.5 | 144.5 | 173.3 | -66.3 | -40.3 | 0 | 0 | 0 | 109.9 | G1660 E1664 | G1660-D1662 PolarHBondContact O-N 3.22Å; D1662-E1664 PolarHBondContact O-N 2.82Å |
| 1663 | S | 56.5 | Low | 78.3 | Confident | 133 Ų | 133 | 69.8 Ų | 69.8 | 93% | 0.93 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -55.5 | 20.1 | -161.1 | 33.7 | 0 | 0 | 0 | 0 | 120.6 | ||
| 1664 | E | 62.5 | Low | 78 | Confident | 170 Ų | 170 | 72.3 Ų | 72.3 | 79% | 0.794 | 40% | 0.403 | S | S | * | . | trans | -124.6 | 118.5 | 176.4 | -66.9 | -172.4 | 173.4 | 0 | 0 | 112.2 | D1662 | D1662-E1664 PolarHBondContact O-N 2.82Š| ||
| 1665 | A | 69.2 | Low | 77.4 | Confident | 47 Ų | 47 | 73.8 Ų | 73.8 | 39% | 0.388 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 117.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V1657 T1658 | V1657-A1665 HydrophobicContact CG1-CB 4.17Å; T1658-A1665 WeakPolarHBondContact O-CA 3.22Å |
| 1666 | T | 80.3 | Confident | 76.5 | Confident | 74 Ų | 74 | 74.9 Ų | 74.9 | 45% | 0.454 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 136.3 | 175.6 | 53.2 | 0 | 0 | 0 | 0 | 110.6 | T1658 | T1658-T1666 PolarHBondContact N-O 2.92Å; T1658-T1666 PolarHBondContact O-N 2.95Å |
| 1667 | Q | 86.3 | Confident | 75.4 | Confident | 33 Ų | 33 | 79.8 Ų | 79.8 | 15% | 0.154 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 134.1 | -175.8 | -60.3 | 176.6 | 28.2 | 0 | 0 | 110.5 | V1539 W1540 L1655 H1656 V1657 | V1539-Q1667 WeakPolarHBondContact CG1-O 3.32Å; W1540-Q1667 WeakPolarHBondContact CB-O 3.45Å; W1540-Q1667 HydrophobicContact CE3-CB 4.2Å; W1540-Q1667 PolarHBondContact N-O 3.44Å; L1655-Q1667 HydrophobicContact CD1-CB 4.27Å; H1656-Q1667 VanDerWaalsContact O-CA 3.28Å; H1656-Q1667 WeakPolarHBondContact O-CA 3.45Å; V1657-Q1667 HydrophobicContact CB-CG 4.47Å; V1657-Q1667 HydrophobicContact CG1-CG 4.13Å; V1657-Q1667 HydrophobicContact CG2-CG 4.08Å |
| 1668 | W | 89 | Confident | 74.4 | Confident | 61 Ų | 61 | 79.7 Ų | 79.7 | 23% | 0.231 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 158.9 | 173.5 | 66.4 | 93.9 | 0 | 0 | 0 | 111 | H1656 T1658 | H1656-W1668 HydrophobicContact CB-CD2 3.91Å; H1656-W1668 VanDerWaalsContact CB-CE2 3.46Å; H1656-W1668 HydrophobicContact CB-CE3 4.45Å; H1656-W1668 HydrophobicContact CB-CG 4.38Å; H1656-W1668 HydrophobicContact CB-CH2 4.25Å; H1656-W1668 HydrophobicContact CB-CZ2 3.65Å; H1656-W1668 AromaticContact CD2-NE1 3.77Å; H1656-W1668 AromaticContact CG-NE1 3.95Å; H1656-W1668 PolarHBondContact N-O 3.48Å; H1656-W1668 PolarHBondContact O-N 3.43Å; H1656-W1668 VanDerWaalsContact O-N 3.15Å; T1658-W1668 WeakPolarHBondContact OG1-CH2 3.4Å; T1658-W1668 WeakPolarHBondContact OG1-CZ3 3.37Å |
| 1669 | W | 90.2 | Very high | 73.1 | Confident | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 138.4 | 178.5 | -64.5 | 84.9 | 0 | 0 | 0 | 111.4 | L1485 S1536 W1540 L1600 V1603 V1611 L1653 H1654 L1655 | L1485-W1669 HydrophobicContact CB-CB 4.42Å; L1485-W1669 HydrophobicContact CB-CD2 4.19Å; L1485-W1669 HydrophobicContact CB-CG 3.87Å; L1485-W1669 HydrophobicContact CD1-CD2 4.46Å; L1485-W1669 HydrophobicContact CD1-CZ2 4.45Å; L1485-W1669 HydrophobicContact CD2-CZ2 4.03Å; L1485-W1669 WeakPolarHBondContact O-CB 3.44Å; S1536-W1669 PolarHBondContact N-O 3.34Å; W1540-W1669 AromaticContact CD1-CD1 3.97Å; W1540-W1669 AromaticContact CD1-NE1 3.7Å; W1540-W1669 AromaticContact CD2-CD1 4Å; W1540-W1669 AromaticContact CD2-NE1 3.21Å; W1540-W1669 AromaticContact CE2-NE1 3.46Å; W1540-W1669 AromaticContact CE3-NE1 3.6Å; W1540-W1669 AromaticContact CG-CD1 3.68Å; W1540-W1669 AromaticContact CG-NE1 3.39Å; W1540-W1669 HydrophobicContact CH2-CZ2 4.15Å; W1540-W1669 HydrophobicContact CZ2-CZ2 4.25Å; W1540-W1669 HydrophobicContact CZ3-CZ2 4.31Å; W1540-W1669 AromaticContact NE1-NE1 3.76Å; L1600-W1669 HydrophobicContact CD1-CH2 4.02Å; V1603-W1669 HydrophobicContact CG1-CH2 3.9Å; V1603-W1669 HydrophobicContact CG1-CZ3 4Å; V1611-W1669 HydrophobicContact CG2-CZ3 4.28Å; L1653-W1669 HydrophobicContact CB-CE3 3.9Å; L1653-W1669 HydrophobicContact CB-CZ3 4.03Å; H1654-W1669 CarbonylContact O-C 3.53Å; H1654-W1669 VanDerWaalsContact O-CA 3.27Å; H1654-W1669 WeakPolarHBondContact O-CA 3.37Å; L1655-W1669 HydrophobicContact CB-CD2 4.47Å; L1655-W1669 HydrophobicContact CB-CE3 4.15Å; L1655-W1669 HydrophobicContact CB-CH2 4.19Å; L1655-W1669 HydrophobicContact CB-CZ2 4.49Å; L1655-W1669 HydrophobicContact CB-CZ3 4.01Å; L1655-W1669 HydrophobicContact CD1-CD2 4.05Å; L1655-W1669 HydrophobicContact CD1-CG 4.43Å; L1655-W1669 HydrophobicContact CD1-CZ2 3.99Å |
| 1670 | E | 89.9 | Confident | 72.5 | Confident | 35 Ų | 35 | 77.8 Ų | 77.8 | 16% | 0.164 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 138.1 | 168 | 168.7 | -179.2 | -169 | 0 | 0 | 109 | R1534 L1653 H1654 H1656 | R1534-E1670 HydrophobicContact CB-CG 4.14Å; R1534-E1670 CarbonylContact O-C 3.59Å; R1534-E1670 WeakPolarHBondContact O-CA 3.3Å; L1653-E1670 CarbonylContact C-O 3.59Å; L1653-E1670 WeakPolarHBondContact CA-O 3.46Å; H1654-E1670 HydrophobicContact CB-CB 4.15Å; H1654-E1670 PolarHBondContact N-O 2.92Å; H1654-E1670 PolarHBondContact O-N 3.36Å; H1656-E1670 IonicContact CD2-OE2 3.1Å; H1656-E1670 IonicContact CE1-OE2 2.6Å; H1656-E1670 IonicContact NE2-OE2 3Å; H1656-E1670 PolarHBondContact NE2-OE2 2.87Å |
| 1671 | V | 88.7 | Confident | 71.9 | Confident | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 129.6 | 178 | -174.6 | 0 | 0 | 0 | 0 | 109.3 | I1477 Y1486 R1534 L1651 F1652 L1653 L1697 | I1477-V1671 HydrophobicContact CD1-CG1 4.07Å; I1477-V1671 HydrophobicContact CD1-CG2 3.83Å; Y1486-V1671 HydrophobicContact CD1-CG2 3.85Å; Y1486-V1671 HydrophobicContact CD2-CB 4.2Å; Y1486-V1671 HydrophobicContact CD2-CG2 3.38Å; Y1486-V1671 HydrophobicContact CE1-CG2 4.25Å; Y1486-V1671 HydrophobicContact CE2-CB 4.17Å; Y1486-V1671 HydrophobicContact CE2-CG2 3.86Å; Y1486-V1671 HydrophobicContact CG-CB 4.45Å; Y1486-V1671 HydrophobicContact CG-CG2 3.38Å; R1534-V1671 PolarHBondContact O-N 3.26Å; L1651-V1671 HydrophobicContact CD2-CG1 4.08Å; F1652-V1671 WeakPolarHBondContact O-CA 3.39Å; L1653-V1671 HydrophobicContact CD2-CG1 4.28Å; L1653-V1671 HydrophobicContact CD2-CG2 3.73Å; V1671-L1697 HydrophobicContact CB-CD1 4.34Å; V1671-L1697 HydrophobicContact CG1-CD1 4Å; V1671-L1697 HydrophobicContact CG1-CD2 4Å; V1671-L1697 HydrophobicContact CG1-CG 4.09Å |
| 1672 | S | 86.6 | Confident | 71.1 | Confident | 27 Ų | 27 | 74.4 Ų | 74.4 | 19% | 0.189 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 150.6 | 166.1 | 65.7 | 0 | 0 | 0 | 0 | 110.5 | F1652 | F1652-S1672 WeakPolarHBondContact CB-OG 3.18Å; F1652-S1672 PolarHBondContact N-O 3.16Å; F1652-S1672 PolarHBondContact O-N 2.88Å |
| 1673 | M | 86.8 | Confident | 70.3 | Confident | 40 Ų | 40 | 77 Ų | 77 | 20% | 0.197 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 146.9 | 178 | 78.5 | 175.7 | -162.7 | 0 | 0 | 112.2 | F1617 D1650 L1651 K1675 G1696 L1697 E1698 | F1617-M1673 HydrophobicContact CD1-SD 4.18Å; F1617-M1673 HydrophobicContact CE1-SD 4.06Å; D1650-M1673 CarbonylContact O-C 3.51Å; D1650-M1673 VanDerWaalsContact O-CA 3.25Å; D1650-M1673 WeakPolarHBondContact O-CA 3.42Å; L1651-M1673 HydrophobicContact CD2-CB 4.11Å; M1673-K1675 HydrophobicContact CE-CD 4.18Å; M1673-K1675 HydrophobicContact CE-CG 3.89Å; M1673-G1696 WeakPolarHBondContact CG-O 3.02Å; M1673-G1696 PolarHBondContact N-O 3.47Å; M1673-L1697 HydrophobicContact CB-CD2 4.09Å; M1673-L1697 HydrophobicContact SD-CD2 4.22Å; M1673-E1698 HydrophobicContact CE-CB 3.66Å |
| 1674 | S | 82.4 | Confident | 69.7 | Low | 57 Ų | 57 | 79.3 Ų | 79.3 | 40% | 0.399 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 123.7 | 168.1 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | A1649 D1650 | A1649-S1674 WeakPolarHBondContact CA-O 3.42Å; A1649-S1674 WeakPolarHBondContact CB-O 3.47Å; D1650-S1674 PolarHBondContact N-O 2.95Å; D1650-S1674 PolarHBondContact O-N 3.3Å |
| 1675 | K | 78.1 | Confident | 68.5 | Low | 83 Ų | 83 | 78.8 Ų | 78.8 | 36% | 0.361 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 142.2 | 175.8 | -60.9 | 179.4 | -174 | 176.4 | 0 | 109 | M1673 E1677 E1698 | M1673-K1675 HydrophobicContact CE-CD 4.18Å; M1673-K1675 HydrophobicContact CE-CG 3.89Å; K1675-E1677 PolarHBondContact O-N 3.37Å; K1675-E1698 IonicContact NZ-OE2 2.82Å; K1675-E1698 PolarHBondContact NZ-OE2 2.99Å |
| 1676 | P | 68.6 | Low | 67 | Low | 48 Ų | 48 | 83.8 Ų | 83.8 | 31% | 0.312 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 122.9 | 170.1 | 24.4 | -30.3 | 0 | 0 | 0 | 109.9 | I1639 | I1639-P1676 HydrophobicContact CG2-CG 4.43Š|
| 1677 | E | 62.7 | Low | 65.1 | Low | 172 Ų | 172 | 89.7 Ų | 89.7 | 80% | 0.804 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -70 | 133 | 173.9 | -75.7 | -170.6 | 164.2 | 0 | 0 | 110.3 | K1675 S1679 | K1675-E1677 PolarHBondContact O-N 3.37Å; E1677-S1679 PolarHBondContact O-N 3.37Å |
| 1678 | P | 57.9 | Low | 62.9 | Low | 73 Ų | 73 | 97.4 Ų | 97.4 | 47% | 0.474 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -65 | 132.2 | 176.1 | 25.6 | -31.1 | 0 | 0 | 0 | 109.9 | G1680 A1681 | P1678-G1680 PolarHBondContact O-N 3.02Å; P1678-A1681 PolarHBondContact O-N 3.07Å |
| 1679 | S | 51.7 | Low | 60.1 | Low | 134 Ų | 134 | 100 Ų | 100 | 94% | 0.937 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | 97.8 | 176.6 | 54.3 | 0 | 0 | 0 | 0 | 110.5 | E1677 | E1677-S1679 PolarHBondContact O-N 3.37Š|
| 1680 | G | 53.4 | Low | 57.5 | Low | 81 Ų | 81 | 105.9 Ų | 105.9 | 84% | 0.835 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 142.4 | -6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | P1678 A1682 | P1678-G1680 PolarHBondContact O-N 3.02Å; G1680-A1682 PolarHBondContact O-N 2.92Å |
| 1681 | A | 49.2 | Very low | 54.7 | Low | 64 Ų | 64 | 109.6 Ų | 109.6 | 53% | 0.529 | 64% | 0.636 | S | S | . | * | trans | -74 | 120.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | P1678 | P1678-A1681 PolarHBondContact O-N 3.07Š| ||
| 1682 | A | 45.6 | Very low | 52.3 | Low | 91 Ų | 91 | 112.4 Ų | 112.4 | 75% | 0.752 | 66% | 0.664 | S | S | * | * | trans | -62.2 | 136.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | G1680 E1684 | G1680-A1682 PolarHBondContact O-N 2.92Å; A1682-E1684 PolarHBondContact O-N 3.23Å | ||
| 1683 | K | 40 | Very low | 50.6 | Low | 194 Ų | 194 | 116.1 Ų | 116.1 | 84% | 0.843 | 69% | 0.686 | S | S | * | * | trans | -59.2 | 98.2 | 173.1 | -70.4 | 179.5 | 170.4 | -177.9 | 0 | 110.3 | E1685 | K1683-E1685 PolarHBondContact O-N 3.1Š| ||
| 1684 | E | 45.4 | Very low | 49 | Very low | 181 Ų | 181 | 117.7 Ų | 117.7 | 85% | 0.846 | 70% | 0.701 | S | S | * | * | trans | -89.5 | 90.5 | 163 | -83.1 | -167.8 | 158.6 | 0 | 0 | 109.4 | A1682 | A1682-E1684 PolarHBondContact O-N 3.23Š| ||
| 1685 | E | 37.2 | Very low | 48.2 | Very low | 160 Ų | 160 | 119.8 Ų | 119.8 | 75% | 0.748 | 70% | 0.701 | S | S | * | * | trans | -68.7 | 138.6 | 160 | -70.5 | 179.1 | 170.6 | 0 | 0 | 109.3 | K1683 | K1683-E1685 PolarHBondContact O-N 3.1Š| ||
| 1686 | N | 36.9 | Very low | 47.9 | Very low | 151 Ų | 151 | 116 Ų | 116 | 81% | 0.807 | 69% | 0.686 | S | S | * | * | trans | 82.2 | 76.5 | 173.7 | -58.7 | -46.8 | 0 | 0 | 0 | 119.1 | ||||
| 1687 | K | 40.5 | Very low | 48.7 | Very low | 199 Ų | 199 | 113.8 Ų | 113.8 | 87% | 0.865 | 67% | 0.671 | S | S | * | * | trans | -131.2 | 101.5 | 138.6 | -97.2 | 176.6 | -176.2 | 164 | 0 | 110.5 | S1689 | K1687-S1689 PolarHBondContact O-N 3.02Š| ||
| 1688 | K | 39.5 | Very low | 49.9 | Very low | 195 Ų | 195 | 107.3 Ų | 107.3 | 85% | 0.848 | 64% | 0.641 | S | S | * | * | trans | -54.2 | 113.8 | 169.1 | -77.4 | 176 | 174.5 | 176.1 | 0 | 110.1 | S1690 | K1688-S1690 PolarHBondContact O-N 3.14Å; K1688-S1690 VanDerWaalsContact O-N 3.1Å | ||
| 1689 | S | 31.7 | Very low | 51.4 | Low | 115 Ų | 115 | 103.8 Ų | 103.8 | 80% | 0.804 | 62% | 0.618 | S | S | * | * | trans | 22.5 | 75.7 | 137.8 | 48.6 | 0 | 0 | 0 | 0 | 116.8 | K1687 | K1687-S1689 PolarHBondContact O-N 3.02Š| ||
| 1690 | S | 35.9 | Very low | 53.2 | Low | 123 Ų | 123 | 97.7 Ų | 97.7 | 86% | 0.86 | 58% | 0.575 | S | S | * | * | trans | -76.2 | 116.4 | 152.2 | -117.4 | 0 | 0 | 0 | 0 | 107.6 | K1688 G1692 | K1688-S1690 PolarHBondContact O-N 3.14Å; K1688-S1690 VanDerWaalsContact O-N 3.1Å; S1690-G1692 PolarHBondContact O-N 2.75Å | ||
| 1691 | A | 29.7 | Very low | 55 | Low | 114 Ų | 114 | 93.9 Ų | 93.9 | 94% | 0.942 | 54% | 0.535 | S | S | * | . | trans | -49.3 | 102.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1692 | G | 39.4 | Very low | 57 | Low | 58 Ų | 58 | 90.9 Ų | 90.9 | 60% | 0.598 | 51% | 0.51 | S | S | * | . | trans | -154.3 | 101.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | S1690 S1694 | S1690-G1692 PolarHBondContact O-N 2.75Å; G1692-S1694 PolarHBondContact O-N 2.85Å | ||
| 1693 | T | 49.5 | Very low | 59.2 | Low | 105 Ų | 105 | 86.8 Ų | 86.8 | 64% | 0.644 | 48% | 0.476 | S | S | * | . | trans | -5.6 | 100.9 | 174.3 | 25.8 | 0 | 0 | 0 | 0 | 113.8 | Y1695 | T1693-Y1695 VanDerWaalsContact O-CD2 3.23Å; T1693-Y1695 WeakPolarHBondContact O-CD2 3.23Å; T1693-Y1695 WeakPolarHBondContact O-CE2 3.22Å; T1693-Y1695 PolarHBondContact O-N 3.43Å; T1693-Y1695 PolarHBondContact OG1-OH 2.93Å | ||
| 1694 | S | 54.4 | Low | 61.4 | Low | 73 Ų | 73 | 79.9 Ų | 79.9 | 51% | 0.51 | 45% | 0.448 | S | S | . | . | trans | -71.9 | 100.8 | 177.6 | 68.4 | 0 | 0 | 0 | 0 | 109 | R1534 G1692 | R1534-S1694 WeakPolarHBondContact CD-O 3.2Å; R1534-S1694 WeakPolarHBondContact CG-O 3.24Å; R1534-S1694 PolarHBondContact NE-O 3.1Å; R1534-S1694 PolarHBondContact NE-OG 3.06Å; R1534-S1694 PolarHBondContact NH1-OG 3.08Å; R1534-S1694 VanDerWaalsContact NH1-OG 3.15Å; R1534-S1694 PolarHBondContact NH2-OG 3.5Å; G1692-S1694 PolarHBondContact O-N 2.85Å | ||
| 1695 | Y | 65.4 | Low | 63.2 | Low | 101 Ų | 101 | 77 Ų | 77 | 40% | 0.396 | 43% | 0.429 | S | S | . | . | trans | -64.1 | 157.6 | 176 | -58.1 | -72.6 | 0 | 0 | 0 | 111.1 | F1494 M1531 R1534 T1693 | F1494-Y1695 HydrophobicContact CD1-CE1 4.38Å; F1494-Y1695 HydrophobicContact CE1-CE1 4.03Å; M1531-Y1695 HydrophobicContact CB-CD1 4.46Å; M1531-Y1695 HydrophobicContact CB-CG 4.48Å; M1531-Y1695 HydrophobicContact SD-CD2 4.23Å; M1531-Y1695 HydrophobicContact SD-CE2 4.07Å; R1534-Y1695 PolarHBondContact NE-O 3.49Å; T1693-Y1695 VanDerWaalsContact O-CD2 3.23Å; T1693-Y1695 WeakPolarHBondContact O-CD2 3.23Å; T1693-Y1695 WeakPolarHBondContact O-CE2 3.22Å; T1693-Y1695 PolarHBondContact O-N 3.43Å; T1693-Y1695 PolarHBondContact OG1-OH 2.93Å | ||
| 1696 | G | 71.1 | Confident | 64.9 | Low | 4 Ų | 4 | 70.1 Ų | 70.1 | 4% | 0.041 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -93.2 | -45.5 | -175 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y1532 M1673 | Y1532-G1696 PolarHBondContact O-N 2.95Å; M1673-G1696 WeakPolarHBondContact CG-O 3.02Å; M1673-G1696 PolarHBondContact N-O 3.47Å |
| 1697 | L | 85.5 | Confident | 66.3 | Low | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.005 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 145.1 | -177 | -64.4 | 154.4 | 0 | 0 | 0 | 110.5 | F1475 Y1486 Y1532 F1617 L1651 V1671 M1673 | F1475-L1697 HydrophobicContact CD1-CD1 3.62Å; F1475-L1697 HydrophobicContact CE1-CD1 3.3Å; F1475-L1697 HydrophobicContact CG-CD1 4.44Å; F1475-L1697 HydrophobicContact CZ-CD1 4.02Å; Y1486-L1697 HydrophobicContact CD1-CD1 4.47Å; Y1486-L1697 HydrophobicContact CE1-CD1 3.63Å; Y1532-L1697 HydrophobicContact CD2-CB 3.9Å; Y1532-L1697 HydrophobicContact CG-CB 4.47Å; Y1532-L1697 PolarHBondContact N-O 2.98Å; Y1532-L1697 PolarHBondContact O-N 3.42Å; F1617-L1697 HydrophobicContact CD1-CD2 4.2Å; F1617-L1697 HydrophobicContact CE1-CD2 4.02Å; F1617-L1697 HydrophobicContact CZ-CD2 4.38Å; L1651-L1697 HydrophobicContact CD2-CD2 3.49Å; L1651-L1697 VanDerWaalsContact CD2-CD2 3.49Å; V1671-L1697 HydrophobicContact CB-CD1 4.34Å; V1671-L1697 HydrophobicContact CG1-CD1 4Å; V1671-L1697 HydrophobicContact CG1-CD2 4Å; V1671-L1697 HydrophobicContact CG1-CG 4.09Å; M1673-L1697 HydrophobicContact CB-CD2 4.09Å; M1673-L1697 HydrophobicContact SD-CD2 4.22Å |
| 1698 | E | 87.8 | Confident | 67.4 | Low | 36 Ų | 36 | 60.4 Ų | 60.4 | 17% | 0.168 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 133.8 | 176.8 | -174 | -171.9 | 174.9 | 0 | 0 | 110.2 | R1529 S1530 M1673 K1675 | R1529-E1698 VanDerWaalsContact CD-OE1 3.25Å; R1529-E1698 WeakPolarHBondContact CD-OE1 3.5Å; R1529-E1698 HydrophobicContact CG-CG 3.96Å; R1529-E1698 WeakPolarHBondContact CG-OE1 3.31Å; R1529-E1698 IonicContact CZ-OE1 2.7Å; R1529-E1698 IonicContact NE-OE1 3.21Å; R1529-E1698 PolarHBondContact NE-OE1 3.32Å; S1530-E1698 WeakPolarHBondContact O-CA 3.19Å; M1673-E1698 HydrophobicContact CE-CB 3.66Å; K1675-E1698 IonicContact NZ-OE2 2.82Å; K1675-E1698 PolarHBondContact NZ-OE2 2.99Å |
| 1699 | I | 89.8 | Confident | 68.3 | Low | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 135 | 172.6 | -63 | 178.3 | 0 | 0 | 0 | 109.3 | R1529 S1530 Y1532 F1566 F1568 F1617 W1619 V1621 | R1529-I1699 CarbonylContact C-O 3.24Å; R1529-I1699 WeakPolarHBondContact CA-O 3.49Å; S1530-I1699 PolarHBondContact N-O 3.45Å; S1530-I1699 PolarHBondContact O-N 3.44Å; Y1532-I1699 HydrophobicContact CE2-CB 4.45Å; Y1532-I1699 HydrophobicContact CE2-CD1 3.7Å; Y1532-I1699 HydrophobicContact CE2-CG1 3.9Å; F1566-I1699 HydrophobicContact CD1-CD1 4.24Å; F1566-I1699 HydrophobicContact CD2-CD1 4.1Å; F1566-I1699 HydrophobicContact CE1-CD1 4.47Å; F1566-I1699 HydrophobicContact CE2-CD1 4.37Å; F1566-I1699 HydrophobicContact CG-CD1 4.06Å; F1568-I1699 HydrophobicContact CZ-CG2 4Å; F1617-I1699 HydrophobicContact CE1-CG1 4.08Å; F1617-I1699 HydrophobicContact CE2-CD1 3.98Å; F1617-I1699 HydrophobicContact CE2-CG1 4.16Å; F1617-I1699 HydrophobicContact CZ-CD1 3.62Å; F1617-I1699 HydrophobicContact CZ-CG1 3.35Å; W1619-I1699 CarbonylContact O-C 3.57Å; W1619-I1699 WeakPolarHBondContact O-CA 3.45Å; V1621-I1699 HydrophobicContact CG1-CG2 4.32Å; V1621-I1699 HydrophobicContact CG2-CG2 3.45Å; V1621-I1699 VanDerWaalsContact CG2-CG2 3.45Å |
| 1700 | I | 90.5 | Very high | 69.5 | Low | 6 Ų | 6 | 51.2 Ų | 51.2 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 117.4 | 167.1 | -59 | -177.8 | 0 | 0 | 0 | 108.3 | L1498 F1506 V1528 W1619 L1620 V1621 F1702 | L1498-I1700 HydrophobicContact CD1-CG2 4.08Å; F1506-I1700 HydrophobicContact CD2-CD1 4.32Å; F1506-I1700 HydrophobicContact CE2-CD1 3.96Å; V1528-I1700 CarbonylContact O-C 3.52Å; V1528-I1700 WeakPolarHBondContact O-CA 3.34Å; W1619-I1700 HydrophobicContact CE3-CD1 4.33Å; W1619-I1700 HydrophobicContact CE3-CG1 4.48Å; W1619-I1700 HydrophobicContact CZ3-CD1 3.81Å; W1619-I1700 HydrophobicContact CZ3-CG1 4.43Å; W1619-I1700 PolarHBondContact O-N 3.47Å; L1620-I1700 HydrophobicContact CD2-CB 3.91Å; L1620-I1700 HydrophobicContact CD2-CD1 4.49Å; L1620-I1700 HydrophobicContact CD2-CG2 4.2Å; V1621-I1700 PolarHBondContact N-O 2.98Å; I1700-F1702 HydrophobicContact CG2-CE2 4.43Å; I1700-F1702 HydrophobicContact CG2-CZ 4.4Å |
| 1701 | A | 90.7 | Very high | 70.7 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 125.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1528 F1568 V1621 | V1528-A1701 PolarHBondContact N-O 2.95Å; V1528-A1701 PolarHBondContact O-N 3.42Å; F1568-A1701 HydrophobicContact CE1-CB 4.01Å; F1568-A1701 HydrophobicContact CE2-CB 4.49Å; F1568-A1701 HydrophobicContact CZ-CB 3.8Å; V1621-A1701 HydrophobicContact CG2-CB 3.84Å; V1621-A1701 CarbonylContact O-C 3.55Å; V1621-A1701 VanDerWaalsContact O-CA 3.25Å; V1621-A1701 WeakPolarHBondContact O-CA 3.45Å |
| 1702 | F | 91.6 | Very high | 72 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 118.7 | 171.8 | -60.6 | -88.3 | 0 | 0 | 0 | 109.6 | F1506 F1518 L1519 Y1522 T1527 L1620 V1621 V1622 L1623 A1632 I1635 I1700 | F1506-F1702 HydrophobicContact CE1-CZ 4.21Å; F1518-F1702 HydrophobicContact CE1-CD1 4.11Å; F1518-F1702 AromaticContact CE1-CD2 3.86Å; F1518-F1702 HydrophobicContact CE1-CD2 3.86Å; F1518-F1702 HydrophobicContact CE1-CE1 4.28Å; F1518-F1702 HydrophobicContact CE1-CE2 4.05Å; F1518-F1702 AromaticContact CE1-CG 3.93Å; F1518-F1702 HydrophobicContact CE1-CG 3.93Å; F1518-F1702 HydrophobicContact CE1-CZ 4.27Å; F1518-F1702 HydrophobicContact CZ-CB 4.36Å; F1518-F1702 HydrophobicContact CZ-CD2 4.2Å; F1518-F1702 HydrophobicContact CZ-CG 4.17Å; L1519-F1702 HydrophobicContact CD2-CE1 3.62Å; L1519-F1702 HydrophobicContact CD2-CZ 3.88Å; Y1522-F1702 HydrophobicContact CD1-CB 4.06Å; Y1522-F1702 HydrophobicContact CD2-CB 4.19Å; Y1522-F1702 HydrophobicContact CD2-CD1 4.03Å; Y1522-F1702 HydrophobicContact CD2-CG 4.43Å; Y1522-F1702 HydrophobicContact CE1-CB 3.96Å; Y1522-F1702 HydrophobicContact CE2-CB 4.09Å; Y1522-F1702 HydrophobicContact CG-CB 4.18Å; Y1522-F1702 HydrophobicContact CG-CD1 4.05Å; T1527-F1702 HydrophobicContact CG2-CD1 3.38Å; T1527-F1702 HydrophobicContact CG2-CE1 3.6Å; T1527-F1702 HydrophobicContact CG2-CG 4.4Å; L1620-F1702 HydrophobicContact CD2-CE2 3.97Å; L1620-F1702 HydrophobicContact CD2-CZ 4.36Å; V1621-F1702 WeakPolarHBondContact O-CD2 3.15Å; V1621-F1702 PolarHBondContact O-N 3.37Å; V1622-F1702 CarbonylContact C-O 3.56Å; V1622-F1702 WeakPolarHBondContact CA-O 3.36Å; V1622-F1702 HydrophobicContact CG2-CB 4.41Å; V1622-F1702 HydrophobicContact CG2-CD2 4.49Å; L1623-F1702 PolarHBondContact N-O 2.84Å; A1632-F1702 HydrophobicContact CB-CD2 4.22Å; A1632-F1702 HydrophobicContact CB-CE2 4.17Å; I1635-F1702 HydrophobicContact CD1-CE1 4.38Å; I1635-F1702 HydrophobicContact CD1-CE2 3.65Å; I1635-F1702 HydrophobicContact CD1-CZ 3.48Å; I1635-F1702 VanDerWaalsContact CD1-CZ 3.48Å; I1700-F1702 HydrophobicContact CG2-CE2 4.43Å; I1700-F1702 HydrophobicContact CG2-CZ 4.4Å |
| 1703 | V | 90.3 | Very high | 72.9 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.03 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 120.7 | -167.5 | -174.9 | 0 | 0 | 0 | 0 | 112.6 | D1526 V1528 L1623 | D1526-V1703 WeakPolarHBondContact O-CB 3.44Å; D1526-V1703 PolarHBondContact O-N 3.04Å; V1528-V1703 HydrophobicContact CB-CG2 4.38Å; V1528-V1703 HydrophobicContact CG2-CG2 3.77Å; L1623-V1703 HydrophobicContact CB-CG2 4.29Å; L1623-V1703 HydrophobicContact CD2-CG1 4.16Å; L1623-V1703 HydrophobicContact CD2-CG2 4.05Å |
| 1704 | D | 87.3 | Confident | 73.3 | Confident | 49 Ų | 49 | 46.9 Ų | 46.9 | 26% | 0.262 | 24% | 0.24 | S | C | . | . | trans | -77.8 | 145.7 | 175.9 | -72.3 | -5 | 0 | 0 | 0 | 113.4 | Y1522 R1570 L1623 P1624 A1625 | Y1522-D1704 VanDerWaalsContact CE1-OD1 3.25Å; Y1522-D1704 WeakPolarHBondContact CE1-OD1 3.26Å; Y1522-D1704 PolarHBondContact OH-OD1 3.36Å; R1570-D1704 PolarHBondContact NH1-O 2.81Å; R1570-D1704 PolarHBondContact NH2-O 3.23Å; R1570-D1704 VanDerWaalsContact NH2-O 3.15Å; L1623-D1704 PolarHBondContact O-N 3.31Å; P1624-D1704 WeakPolarHBondContact CA-OD2 3.31Å; A1625-D1704 HydrophobicContact CB-CB 4.22Å | ||
| 1705 | R | 82.2 | Confident | 73.4 | Confident | 120 Ų | 120 | 47.2 Ų | 47.2 | 45% | 0.453 | 24% | 0.239 | S | C | . | . | trans | -75.6 | 150.5 | 175.6 | -61.3 | -174.7 | -174.9 | 171 | 8.7 | 112.6 | I1466 R1467 D1526 | I1466-R1705 WeakPolarHBondContact O-CA 3.23Å; R1467-R1705 HydrophobicContact CG-CG 4.17Å; D1526-R1705 IonicContact OD1-NE 2.81Å; D1526-R1705 IonicContact OD2-NE 3.75Å; D1526-R1705 IonicContact OD2-NH2 3.9Å; D1526-R1705 PolarHBondContact OD2-NH2 2.95Å | ||
| 1706 | V | 73.2 | Confident | 73.1 | Confident | 17 Ų | 17 | 46.7 Ų | 46.7 | 10% | 0.103 | 25% | 0.25 | C | S | . | . | B | Isolated β-bridge | trans | -114.4 | 140.4 | -174.6 | -166.7 | 0 | 0 | 0 | 0 | 110.9 | I1466 A1625 | I1466-V1706 PolarHBondContact N-O 2.93Å; I1466-V1706 PolarHBondContact O-N 3.39Å; A1625-V1706 HydrophobicContact CB-CG2 4.3Å |
| 1707 | F | 67.1 | Low | 72.6 | Confident | 114 Ų | 114 | 55.5 Ų | 55.5 | 50% | 0.5 | 28% | 0.282 | S | S | . | . | trans | -85.6 | 141.2 | 171.9 | -63.9 | -78.2 | 0 | 0 | 0 | 110.5 | I1464 | I1464-F1707 WeakPolarHBondContact O-CD1 3.32Š| ||
| 1708 | P | 62.5 | Low | 71.6 | Confident | 31 Ų | 31 | 57.3 Ų | 57.3 | 20% | 0.201 | 30% | 0.302 | C | S | . | . | trans | -58.6 | 141.8 | 176.7 | 20.8 | -28.9 | 0 | 0 | 0 | 111.4 | I1466 A1710 L1711 S1712 | I1466-P1708 HydrophobicContact CD1-CB 4.22Å; I1466-P1708 HydrophobicContact CD1-CG 4.33Å; P1708-A1710 VanDerWaalsContact C-N 3.28Å; P1708-A1710 PolarHBondContact O-N 2.88Å; P1708-A1710 VanDerWaalsContact O-N 3.13Å; P1708-L1711 HydrophobicContact CG-CB 4.29Å; P1708-L1711 HydrophobicContact CG-CD1 4.03Å; P1708-L1711 WeakPolarHBondContact O-CA 3.18Å; P1708-L1711 VanDerWaalsContact O-CB 3.32Å; P1708-L1711 WeakPolarHBondContact O-CB 3.33Å; P1708-L1711 PolarHBondContact O-N 3.26Å; P1708-S1712 PolarHBondContact O-N 3.46Å; P1708-S1712 VanDerWaalsContact O-N 3.17Å | ||
| 1709 | S | 58.6 | Low | 70.4 | Confident | 58 Ų | 58 | 57.9 Ų | 57.9 | 41% | 0.406 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.6 | -31.3 | -167.9 | 54.6 | 0 | 0 | 0 | 0 | 115.2 | L1711 S1712 Y1713 | S1709-L1711 VanDerWaalsContact C-N 3.29Å; S1709-L1711 PolarHBondContact O-N 3Å; S1709-S1712 PolarHBondContact O-N 2.55Å; S1709-S1712 PolarHBondContact O-OG 3.03Å; S1709-Y1713 PolarHBondContact O-N 2.95Å |
| 1710 | A | 57.7 | Low | 69.5 | Low | 59 Ų | 59 | 64 Ų | 64 | 49% | 0.488 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.6 | -38.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | P1708 F1714 | P1708-A1710 VanDerWaalsContact C-N 3.28Å; P1708-A1710 PolarHBondContact O-N 2.88Å; P1708-A1710 VanDerWaalsContact O-N 3.13Å; A1710-F1714 WeakPolarHBondContact O-CD2 3.39Å; A1710-F1714 PolarHBondContact O-N 3.08Å |
| 1711 | L | 59.6 | Low | 68.8 | Low | 27 Ų | 27 | 65.5 Ų | 65.5 | 14% | 0.141 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -76.6 | -36.5 | -178.9 | -118.1 | 142.5 | 0 | 0 | 0 | 111.1 | V1461 P1708 S1709 Y1713 F1714 T1715 | V1461-L1711 HydrophobicContact CG1-CD1 3.74Å; V1461-L1711 HydrophobicContact CG1-CD2 3.96Å; V1461-L1711 HydrophobicContact CG1-CG 3.92Å; P1708-L1711 HydrophobicContact CG-CB 4.29Å; P1708-L1711 HydrophobicContact CG-CD1 4.03Å; P1708-L1711 WeakPolarHBondContact O-CA 3.18Å; P1708-L1711 VanDerWaalsContact O-CB 3.32Å; P1708-L1711 WeakPolarHBondContact O-CB 3.33Å; P1708-L1711 PolarHBondContact O-N 3.26Å; S1709-L1711 VanDerWaalsContact C-N 3.29Å; S1709-L1711 PolarHBondContact O-N 3Å; L1711-Y1713 VanDerWaalsContact C-N 3.28Å; L1711-Y1713 PolarHBondContact O-N 3.06Å; L1711-F1714 PolarHBondContact O-N 3.32Å; L1711-T1715 HydrophobicContact CD2-CG2 4.29Å; L1711-T1715 WeakPolarHBondContact O-CG2 3.36Å; L1711-T1715 PolarHBondContact O-N 3.11Å; L1711-T1715 PolarHBondContact O-OG1 3.33Å |
| 1712 | S | 58.3 | Low | 67.9 | Low | 45 Ų | 45 | 69.7 Ų | 69.7 | 32% | 0.315 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.8 | -31.3 | 175.4 | 76.9 | 0 | 0 | 0 | 0 | 112.4 | P1708 S1709 T1715 S1716 | P1708-S1712 PolarHBondContact O-N 3.46Å; P1708-S1712 VanDerWaalsContact O-N 3.17Å; S1709-S1712 PolarHBondContact O-N 2.55Å; S1709-S1712 PolarHBondContact O-OG 3.03Å; S1712-T1715 WeakPolarHBondContact CA-OG1 3.35Å; S1712-T1715 PolarHBondContact O-OG1 3.37Å; S1712-S1716 WeakPolarHBondContact O-CB 3.21Å; S1712-S1716 PolarHBondContact O-N 3.36Å; S1712-S1716 PolarHBondContact O-OG 3.42Å |
| 1713 | Y | 59 | Low | 67.2 | Low | 123 Ų | 123 | 73 Ų | 73 | 48% | 0.482 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.9 | -44.7 | 172.2 | -173.5 | -97.3 | 0 | 0 | 0 | 112.5 | S1709 L1711 S1716 R1717 | S1709-Y1713 PolarHBondContact O-N 2.95Å; L1711-Y1713 VanDerWaalsContact C-N 3.28Å; L1711-Y1713 PolarHBondContact O-N 3.06Å; Y1713-S1716 PolarHBondContact O-OG 2.84Å; Y1713-R1717 PolarHBondContact O-N 3.23Å; Y1713-R1717 PolarHBondContact OH-NH1 2.89Å |
| 1714 | F | 56.5 | Low | 66.8 | Low | 115 Ų | 115 | 77 Ų | 77 | 50% | 0.504 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -73.6 | -37.4 | -179.7 | -72.5 | -66.9 | 0 | 0 | 0 | 112.7 | A1710 L1711 G1718 I1719 | A1710-F1714 WeakPolarHBondContact O-CD2 3.39Å; A1710-F1714 PolarHBondContact O-N 3.08Å; L1711-F1714 PolarHBondContact O-N 3.32Å; F1714-G1718 PolarHBondContact O-N 3.34Å; F1714-I1719 HydrophobicContact CB-CD1 3.84Å; F1714-I1719 HydrophobicContact CB-CG1 3.81Å; F1714-I1719 WeakPolarHBondContact O-CG1 3.47Å |
| 1715 | T | 56.6 | Low | 66.6 | Low | 79 Ų | 79 | 79.4 Ų | 79.4 | 49% | 0.485 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -71 | -31.2 | 176.7 | 53 | 0 | 0 | 0 | 0 | 112.6 | L1711 S1712 | L1711-T1715 HydrophobicContact CD2-CG2 4.29Å; L1711-T1715 WeakPolarHBondContact O-CG2 3.36Å; L1711-T1715 PolarHBondContact O-N 3.11Å; L1711-T1715 PolarHBondContact O-OG1 3.33Å; S1712-T1715 WeakPolarHBondContact CA-OG1 3.35Å; S1712-T1715 PolarHBondContact O-OG1 3.37Å |
| 1716 | S | 60.2 | Low | 66.5 | Low | 91 Ų | 91 | 77 Ų | 77 | 64% | 0.636 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -78.9 | -22.1 | 179 | 60.9 | 0 | 0 | 0 | 0 | 115.3 | S1712 Y1713 | S1712-S1716 WeakPolarHBondContact O-CB 3.21Å; S1712-S1716 PolarHBondContact O-N 3.36Å; S1712-S1716 PolarHBondContact O-OG 3.42Å; Y1713-S1716 PolarHBondContact O-OG 2.84Å |
| 1717 | R | 60.5 | Low | 67 | Low | 188 Ų | 188 | 77.7 Ų | 77.7 | 71% | 0.709 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -117.4 | 1.8 | -173.6 | -83.2 | -176.1 | 171.9 | 166.3 | 0.5 | 117.6 | Y1713 | Y1713-R1717 PolarHBondContact O-N 3.23Å; Y1713-R1717 PolarHBondContact OH-NH1 2.89Å |
| 1718 | G | 63.6 | Low | 68 | Low | 40 Ų | 40 | 77.7 Ų | 77.7 | 41% | 0.412 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97 | 79.9 | 165 | 0 | 0 | 0 | 0 | 0 | 116.1 | F1714 I1720 G1721 | F1714-G1718 PolarHBondContact O-N 3.34Å; G1718-I1720 PolarHBondContact O-N 3.15Å; G1718-G1721 PolarHBondContact O-N 3.34Å |
| 1719 | I | 62.9 | Low | 69 | Low | 47 Ų | 47 | 79 Ų | 79 | 24% | 0.241 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -54 | -33.7 | 174.6 | -68.9 | 156 | 0 | 0 | 0 | 113.5 | F1458 F1714 G1721 V1722 Y1723 | F1458-I1719 HydrophobicContact CD2-CD1 4.01Å; F1458-I1719 HydrophobicContact CD2-CG2 3.89Å; F1458-I1719 HydrophobicContact CE2-CB 4.43Å; F1458-I1719 HydrophobicContact CE2-CD1 3.5Å; F1458-I1719 HydrophobicContact CE2-CG2 4.11Å; F1714-I1719 HydrophobicContact CB-CD1 3.84Å; F1714-I1719 HydrophobicContact CB-CG1 3.81Å; F1714-I1719 WeakPolarHBondContact O-CG1 3.47Å; I1719-G1721 PolarHBondContact O-N 3.46Å; I1719-V1722 PolarHBondContact O-N 2.74Å; I1719-V1722 VanDerWaalsContact O-N 3.1Å; I1719-Y1723 PolarHBondContact O-N 3.37Å |
| 1720 | I | 71.8 | Confident | 70.2 | Confident | 130 Ų | 130 | 77.1 Ų | 77.1 | 67% | 0.667 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -58.8 | -33.8 | 175.7 | -66.5 | 166.7 | 0 | 0 | 0 | 110.9 | G1718 Y1723 L1724 | G1718-I1720 PolarHBondContact O-N 3.15Å; I1720-Y1723 PolarHBondContact O-N 2.75Å; I1720-L1724 HydrophobicContact CG2-CD1 3.97Å; I1720-L1724 WeakPolarHBondContact O-CB 3.47Å; I1720-L1724 WeakPolarHBondContact O-CG 3.43Å; I1720-L1724 PolarHBondContact O-N 3.45Å |
| 1721 | G | 75.6 | Confident | 71.5 | Confident | 37 Ų | 37 | 76.9 Ų | 76.9 | 38% | 0.381 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65 | -45.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G1718 I1719 L1724 V1725 | G1718-G1721 PolarHBondContact O-N 3.34Å; I1719-G1721 PolarHBondContact O-N 3.46Å; G1721-L1724 PolarHBondContact O-N 2.76Å; G1721-V1725 VanDerWaalsContact O-CG2 3.26Å; G1721-V1725 WeakPolarHBondContact O-CG2 3.32Å; G1721-V1725 PolarHBondContact O-N 2.76Å |
| 1722 | V | 70.8 | Confident | 72.9 | Confident | 88 Ų | 88 | 84.9 Ų | 84.9 | 53% | 0.533 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 176.5 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | I1719 V1725 V1726 | I1719-V1722 PolarHBondContact O-N 2.74Å; I1719-V1722 VanDerWaalsContact O-N 3.1Å; V1722-V1725 PolarHBondContact O-N 3.29Å; V1722-V1726 WeakPolarHBondContact O-CG2 3.37Å; V1722-V1726 PolarHBondContact O-N 2.77Å |
| 1723 | Y | 76.7 | Confident | 74 | Confident | 69 Ų | 69 | 88 Ų | 88 | 27% | 0.271 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.4 | -49.6 | 174.7 | 172.3 | -107.5 | 0 | 0 | 0 | 111.9 | L1451 P1454 L1455 I1719 I1720 V1725 V1726 V1727 | L1451-Y1723 PolarHBondContact O-OH 3.44Å; P1454-Y1723 HydrophobicContact CB-CD2 3.79Å; P1454-Y1723 HydrophobicContact CB-CE2 4.09Å; P1454-Y1723 HydrophobicContact CG-CD2 4.28Å; P1454-Y1723 HydrophobicContact CG-CE2 4.28Å; L1455-Y1723 HydrophobicContact CD1-CE2 4.22Å; L1455-Y1723 HydrophobicContact CG-CE2 4.45Å; I1719-Y1723 PolarHBondContact O-N 3.37Å; I1720-Y1723 PolarHBondContact O-N 2.75Å; Y1723-V1725 VanDerWaalsContact C-N 3.32Å; Y1723-V1725 PolarHBondContact O-N 3.43Å; Y1723-V1726 PolarHBondContact O-N 3.22Å; Y1723-V1727 HydrophobicContact CD2-CG2 3.95Å; Y1723-V1727 HydrophobicContact CE1-CG2 4.13Å; Y1723-V1727 HydrophobicContact CE2-CG2 3.52Å; Y1723-V1727 HydrophobicContact CG-CG2 4.45Å; Y1723-V1727 WeakPolarHBondContact O-CG2 3.28Å; Y1723-V1727 PolarHBondContact O-N 3.28Å |
| 1724 | L | 82.3 | Confident | 75.2 | Confident | 89 Ų | 89 | 85.5 Ų | 85.5 | 47% | 0.466 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.3 | -41.8 | 176.8 | -85 | 164 | 0 | 0 | 0 | 111.7 | I1720 G1721 V1727 L1728 | I1720-L1724 HydrophobicContact CG2-CD1 3.97Å; I1720-L1724 WeakPolarHBondContact O-CB 3.47Å; I1720-L1724 WeakPolarHBondContact O-CG 3.43Å; I1720-L1724 PolarHBondContact O-N 3.45Å; G1721-L1724 PolarHBondContact O-N 2.76Å; L1724-V1727 PolarHBondContact O-N 2.77Å; L1724-L1728 WeakPolarHBondContact O-CB 3.16Å; L1724-L1728 WeakPolarHBondContact O-CD1 3.48Å; L1724-L1728 WeakPolarHBondContact O-CG 3.44Å; L1724-L1728 PolarHBondContact O-N 2.89Å |
| 1725 | V | 83.5 | Confident | 76.5 | Confident | 100 Ų | 100 | 88.8 Ų | 88.8 | 61% | 0.606 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.8 | -45.6 | 177.1 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | G1721 V1722 Y1723 A1729 | G1721-V1725 VanDerWaalsContact O-CG2 3.26Å; G1721-V1725 WeakPolarHBondContact O-CG2 3.32Å; G1721-V1725 PolarHBondContact O-N 2.76Å; V1722-V1725 PolarHBondContact O-N 3.29Å; Y1723-V1725 VanDerWaalsContact C-N 3.32Å; Y1723-V1725 PolarHBondContact O-N 3.43Å; V1725-A1729 WeakPolarHBondContact O-CB 3.12Å; V1725-A1729 PolarHBondContact O-N 3.45Å |
| 1726 | V | 79.3 | Confident | 77.8 | Confident | 71 Ų | 71 | 89 Ų | 89 | 43% | 0.43 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65 | -46.3 | 178.8 | 173 | 0 | 0 | 0 | 0 | 111.3 | V1722 Y1723 A1729 A1730 | V1722-V1726 WeakPolarHBondContact O-CG2 3.37Å; V1722-V1726 PolarHBondContact O-N 2.77Å; Y1723-V1726 PolarHBondContact O-N 3.22Å; V1726-A1729 PolarHBondContact O-N 3.17Å; V1726-A1730 WeakPolarHBondContact O-CB 3.11Å; V1726-A1730 PolarHBondContact O-N 3Å |
| 1727 | V | 84.4 | Confident | 78.6 | Confident | 30 Ų | 30 | 90.7 Ų | 90.7 | 18% | 0.182 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -65.6 | -43.4 | 179.5 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | L1451 Y1723 L1724 A1730 A1731 | L1451-V1727 HydrophobicContact CD2-CG1 3.82Å; L1451-V1727 HydrophobicContact CD2-CG2 4.28Å; Y1723-V1727 HydrophobicContact CD2-CG2 3.95Å; Y1723-V1727 HydrophobicContact CE1-CG2 4.13Å; Y1723-V1727 HydrophobicContact CE2-CG2 3.52Å; Y1723-V1727 HydrophobicContact CG-CG2 4.45Å; Y1723-V1727 WeakPolarHBondContact O-CG2 3.28Å; Y1723-V1727 PolarHBondContact O-N 3.28Å; L1724-V1727 PolarHBondContact O-N 2.77Å; V1727-A1730 PolarHBondContact O-N 3.34Å; V1727-A1731 VanDerWaalsContact O-CB 3.25Å; V1727-A1731 WeakPolarHBondContact O-CB 3.43Å; V1727-A1731 PolarHBondContact O-N 2.91Å |
| 1728 | L | 87 | Confident | 79.6 | Confident | 114 Ų | 114 | 86.8 Ų | 86.8 | 60% | 0.597 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.5 | -37.9 | 176 | -73 | 170.2 | 0 | 0 | 0 | 111.8 | L1724 R1732 | L1724-L1728 WeakPolarHBondContact O-CB 3.16Å; L1724-L1728 WeakPolarHBondContact O-CD1 3.48Å; L1724-L1728 WeakPolarHBondContact O-CG 3.44Å; L1724-L1728 PolarHBondContact O-N 2.89Å; L1728-R1732 VanDerWaalsContact O-CB 3.27Å; L1728-R1732 WeakPolarHBondContact O-CB 3.16Å; L1728-R1732 PolarHBondContact O-N 3.29Å |
| 1729 | A | 85.3 | Confident | 80.4 | Confident | 58 Ų | 58 | 89 Ų | 89 | 48% | 0.479 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.3 | -46.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1725 V1726 R1732 L1733 | V1725-A1729 WeakPolarHBondContact O-CB 3.12Å; V1725-A1729 PolarHBondContact O-N 3.45Å; V1726-A1729 PolarHBondContact O-N 3.17Å; A1729-R1732 PolarHBondContact O-N 3.47Å; A1729-L1733 WeakPolarHBondContact O-CB 2.78Å; A1729-L1733 PolarHBondContact O-N 3.32Å |
| 1730 | A | 82.7 | Confident | 81 | Confident | 20 Ų | 20 | 88.3 Ų | 88.3 | 17% | 0.165 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -63.5 | -44 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1450 V1726 V1727 R1732 L1733 I1734 | L1450-A1730 HydrophobicContact CD1-CB 4.3Å; L1450-A1730 HydrophobicContact CD2-CB 3.5Å; L1450-A1730 VanDerWaalsContact CD2-CB 3.5Å; V1726-A1730 WeakPolarHBondContact O-CB 3.11Å; V1726-A1730 PolarHBondContact O-N 3Å; V1727-A1730 PolarHBondContact O-N 3.34Å; A1730-R1732 VanDerWaalsContact C-N 3.33Å; A1730-R1732 PolarHBondContact O-N 2.94Å; A1730-L1733 PolarHBondContact O-N 3.01Å; A1730-I1734 VanDerWaalsContact O-CG1 3.31Å; A1730-I1734 WeakPolarHBondContact O-CG1 3.33Å; A1730-I1734 PolarHBondContact O-N 2.79Å |
| 1731 | A | 85.1 | Confident | 81.1 | Confident | 53 Ų | 53 | 85.3 Ų | 85.3 | 44% | 0.438 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61 | -41.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1727 R1735 | V1727-A1731 VanDerWaalsContact O-CB 3.25Å; V1727-A1731 WeakPolarHBondContact O-CB 3.43Å; V1727-A1731 PolarHBondContact O-N 2.91Å; A1731-R1735 VanDerWaalsContact O-CB 3.25Å; A1731-R1735 WeakPolarHBondContact O-CB 3.41Å; A1731-R1735 PolarHBondContact O-N 2.59Å |
| 1732 | R | 88.4 | Confident | 81.3 | Confident | 195 Ų | 195 | 87.8 Ų | 87.8 | 74% | 0.736 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.2 | -42.4 | 175.4 | -171.1 | 175.6 | -179.3 | 167.7 | -0.3 | 111.5 | L1728 A1729 A1730 R1735 T1736 | L1728-R1732 VanDerWaalsContact O-CB 3.27Å; L1728-R1732 WeakPolarHBondContact O-CB 3.16Å; L1728-R1732 PolarHBondContact O-N 3.29Å; A1729-R1732 PolarHBondContact O-N 3.47Å; A1730-R1732 VanDerWaalsContact C-N 3.33Å; A1730-R1732 PolarHBondContact O-N 2.94Å; R1732-R1735 PolarHBondContact O-N 2.83Å; R1732-T1736 PolarHBondContact O-N 3.34Å; R1732-T1736 PolarHBondContact O-OG1 3.28Å |
| 1733 | L | 82.9 | Confident | 81.6 | Confident | 110 Ų | 110 | 90.8 Ų | 90.8 | 58% | 0.576 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.8 | -48.2 | 178.5 | -164.7 | 156.8 | 0 | 0 | 0 | 111.5 | A1729 A1730 R1735 T1736 L1737 | A1729-L1733 WeakPolarHBondContact O-CB 2.78Å; A1729-L1733 PolarHBondContact O-N 3.32Å; A1730-L1733 PolarHBondContact O-N 3.01Å; L1733-R1735 VanDerWaalsContact C-N 3.29Å; L1733-R1735 PolarHBondContact O-N 2.7Å; L1733-T1736 PolarHBondContact O-N 3.41Å; L1733-L1737 HydrophobicContact CD2-CD1 3.83Å; L1733-L1737 HydrophobicContact CD2-CG 4.34Å; L1733-L1737 PolarHBondContact O-N 2.98Å; L1733-L1737 VanDerWaalsContact O-N 3.14Å |
| 1734 | I | 82.9 | Confident | 81.7 | Confident | 72 Ų | 72 | 91.4 Ų | 91.4 | 37% | 0.369 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60 | -42.2 | 175.7 | -66.2 | 164.5 | 0 | 0 | 0 | 110.4 | L1447 A1730 T1736 L1737 V1738 | L1447-I1734 HydrophobicContact CD1-CD1 4.11Å; A1730-I1734 VanDerWaalsContact O-CG1 3.31Å; A1730-I1734 WeakPolarHBondContact O-CG1 3.33Å; A1730-I1734 PolarHBondContact O-N 2.79Å; I1734-T1736 PolarHBondContact O-N 3.38Å; I1734-L1737 PolarHBondContact O-N 2.99Å; I1734-V1738 WeakPolarHBondContact O-CG2 3.42Å; I1734-V1738 PolarHBondContact O-N 3.29Å |
| 1735 | R | 85 | Confident | 81.6 | Confident | 184 Ų | 184 | 91.8 Ų | 91.8 | 69% | 0.694 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.2 | -41.7 | 177 | -172.2 | 176 | -176.5 | 126 | 0.2 | 111.9 | A1731 R1732 L1733 L1737 V1738 V1739 | A1731-R1735 VanDerWaalsContact O-CB 3.25Å; A1731-R1735 WeakPolarHBondContact O-CB 3.41Å; A1731-R1735 PolarHBondContact O-N 2.59Å; R1732-R1735 PolarHBondContact O-N 2.83Å; L1733-R1735 VanDerWaalsContact C-N 3.29Å; L1733-R1735 PolarHBondContact O-N 2.7Å; R1735-L1737 VanDerWaalsContact C-N 3.34Å; R1735-L1737 PolarHBondContact O-N 3.16Å; R1735-V1738 PolarHBondContact O-N 3.13Å; R1735-V1739 HydrophobicContact CG-CG2 3.85Å; R1735-V1739 VanDerWaalsContact O-CB 3.27Å; R1735-V1739 WeakPolarHBondContact O-CB 3.25Å; R1735-V1739 VanDerWaalsContact O-CG2 3.25Å; R1735-V1739 WeakPolarHBondContact O-CG2 3.39Å; R1735-V1739 PolarHBondContact O-N 3.17Å |
| 1736 | T | 83 | Confident | 81.6 | Confident | 84 Ų | 84 | 91 Ų | 91 | 52% | 0.515 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 176.7 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | R1732 L1733 I1734 V1738 A1740 | R1732-T1736 PolarHBondContact O-N 3.34Å; R1732-T1736 PolarHBondContact O-OG1 3.28Å; L1733-T1736 PolarHBondContact O-N 3.41Å; I1734-T1736 PolarHBondContact O-N 3.38Å; T1736-V1738 VanDerWaalsContact C-N 3.34Å; T1736-V1738 PolarHBondContact O-N 3.22Å; T1736-A1740 WeakPolarHBondContact O-CB 3.44Å; T1736-A1740 PolarHBondContact O-N 3.19Å |
| 1737 | L | 77.2 | Confident | 81.6 | Confident | 126 Ų | 126 | 90.1 Ų | 90.1 | 66% | 0.66 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.3 | -38.7 | 178.8 | -67.5 | 172.6 | 0 | 0 | 0 | 112.9 | L1733 I1734 R1735 | L1733-L1737 HydrophobicContact CD2-CD1 3.83Å; L1733-L1737 HydrophobicContact CD2-CG 4.34Å; L1733-L1737 PolarHBondContact O-N 2.98Å; L1733-L1737 VanDerWaalsContact O-N 3.14Å; I1734-L1737 PolarHBondContact O-N 2.99Å; R1735-L1737 VanDerWaalsContact C-N 3.34Å; R1735-L1737 PolarHBondContact O-N 3.16Å |
| 1738 | V | 80.9 | Confident | 81.3 | Confident | 106 Ų | 106 | 90 Ų | 90 | 64% | 0.642 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -79.8 | -39.3 | -179.2 | 178.7 | 0 | 0 | 0 | 0 | 111.9 | I1734 R1735 T1736 | I1734-V1738 WeakPolarHBondContact O-CG2 3.42Å; I1734-V1738 PolarHBondContact O-N 3.29Å; R1735-V1738 PolarHBondContact O-N 3.13Å; T1736-V1738 VanDerWaalsContact C-N 3.34Å; T1736-V1738 PolarHBondContact O-N 3.22Å |
| 1739 | V | 81.6 | Confident | 81.2 | Confident | 86 Ų | 86 | 90 Ų | 90 | 52% | 0.521 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -83.4 | -26.6 | -174.4 | 176.4 | 0 | 0 | 0 | 0 | 113 | R1735 P1742 | R1735-V1739 HydrophobicContact CG-CG2 3.85Å; R1735-V1739 VanDerWaalsContact O-CB 3.27Å; R1735-V1739 WeakPolarHBondContact O-CB 3.25Å; R1735-V1739 VanDerWaalsContact O-CG2 3.25Å; R1735-V1739 WeakPolarHBondContact O-CG2 3.39Å; R1735-V1739 PolarHBondContact O-N 3.17Å; V1739-P1742 VanDerWaalsContact O-CD 3.29Å; V1739-P1742 WeakPolarHBondContact O-CD 3.32Å |
| 1740 | A | 75.2 | Confident | 81.2 | Confident | 32 Ų | 32 | 87.4 Ų | 87.4 | 26% | 0.264 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -74 | -25 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T1736 L1743 | T1736-A1740 WeakPolarHBondContact O-CB 3.44Å; T1736-A1740 PolarHBondContact O-N 3.19Å; A1740-L1743 PolarHBondContact O-N 2.87Å; A1740-L1743 VanDerWaalsContact O-N 3.09Å |
| 1741 | S | 74.3 | Confident | 81.3 | Confident | 67 Ų | 67 | 89.8 Ų | 89.8 | 47% | 0.469 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -40.4 | -172.3 | 179.9 | 0 | 0 | 0 | 0 | 115.3 | L1743 E1744 | S1741-L1743 PolarHBondContact O-N 2.96Å; S1741-E1744 PolarHBondContact O-N 3.29Å |
| 1742 | P | 78.5 | Confident | 81.2 | Confident | 90 Ų | 90 | 88.5 Ų | 88.5 | 58% | 0.584 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -28.1 | 177.7 | -21.1 | 34.5 | 0 | 0 | 0 | 114.5 | V1739 E1744 L1745 | V1739-P1742 VanDerWaalsContact O-CD 3.29Å; V1739-P1742 WeakPolarHBondContact O-CD 3.32Å; P1742-E1744 VanDerWaalsContact C-N 3.27Å; P1742-E1744 PolarHBondContact O-N 3.07Å; P1742-L1745 VanDerWaalsContact O-CB 3.26Å; P1742-L1745 WeakPolarHBondContact O-CB 3.4Å; P1742-L1745 PolarHBondContact O-N 3Å |
| 1743 | L | 76.5 | Confident | 81.1 | Confident | 150 Ų | 150 | 79.3 Ų | 79.3 | 79% | 0.785 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -28 | 179 | -66.6 | 170 | 0 | 0 | 0 | 111.7 | A1740 S1741 | A1740-L1743 PolarHBondContact O-N 2.87Å; A1740-L1743 VanDerWaalsContact O-N 3.09Å; S1741-L1743 PolarHBondContact O-N 2.96Å |
| 1744 | E | 79 | Confident | 81.1 | Confident | 83 Ų | 83 | 76.3 Ų | 76.3 | 39% | 0.388 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 2.2 | 178.8 | -61.6 | -176 | 170.2 | 0 | 0 | 113.2 | R1392 S1741 P1742 I1746 I1747 N1748 | R1392-E1744 IonicContact CZ-OE2 2.79Å; R1392-E1744 VanDerWaalsContact CZ-OE2 3.24Å; R1392-E1744 IonicContact NH1-OE2 3.09Å; R1392-E1744 PolarHBondContact NH1-OE2 3.28Å; R1392-E1744 IonicContact NH2-OE2 2.95Å; R1392-E1744 PolarHBondContact NH2-OE2 3.27Å; S1741-E1744 PolarHBondContact O-N 3.29Å; P1742-E1744 VanDerWaalsContact C-N 3.27Å; P1742-E1744 PolarHBondContact O-N 3.07Å; E1744-I1746 PolarHBondContact O-N 3.43Å; E1744-I1746 VanDerWaalsContact O-N 3.16Å; E1744-I1747 PolarHBondContact O-N 3.05Å; E1744-I1747 VanDerWaalsContact O-N 3.08Å; E1744-N1748 VanDerWaalsContact CB-ND2 3.31Å; E1744-N1748 WeakPolarHBondContact CB-ND2 2.99Å; E1744-N1748 PolarHBondContact O-N 2.82Å; E1744-N1748 PolarHBondContact O-ND2 2.87Å |
| 1745 | L | 81.6 | Confident | 81.1 | Confident | 97 Ų | 97 | 74.5 Ų | 74.5 | 51% | 0.508 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -55.4 | -38.7 | -172.9 | -167.7 | 82.6 | 0 | 0 | 0 | 112.2 | P1742 I1747 N1748 E1749 | P1742-L1745 VanDerWaalsContact O-CB 3.26Å; P1742-L1745 WeakPolarHBondContact O-CB 3.4Å; P1742-L1745 PolarHBondContact O-N 3Å; L1745-I1747 VanDerWaalsContact C-N 3.25Å; L1745-I1747 PolarHBondContact O-N 3.2Å; L1745-N1748 PolarHBondContact O-N 3.29Å; L1745-E1749 HydrophobicContact CD1-CG 3.74Å; L1745-E1749 HydrophobicContact CG-CG 4.11Å; L1745-E1749 PolarHBondContact O-N 2.66Å |
| 1746 | I | 82.6 | Confident | 81.2 | Confident | 82 Ų | 82 | 65.8 Ų | 65.8 | 42% | 0.421 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.5 | -31.7 | -178.6 | -166.1 | 174.1 | 0 | 0 | 0 | 113.4 | E1744 I1750 P1789 L1792 | E1744-I1746 PolarHBondContact O-N 3.43Å; E1744-I1746 VanDerWaalsContact O-N 3.16Å; I1746-I1750 WeakPolarHBondContact O-CG1 3.29Å; I1746-P1789 HydrophobicContact CD1-CB 3.54Å; I1746-L1792 HydrophobicContact CG1-CD2 4.12Å |
| 1747 | I | 79 | Confident | 81.4 | Confident | 54 Ų | 54 | 62.9 Ų | 62.9 | 28% | 0.277 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -93.6 | -30.5 | 179.1 | -57.2 | 177.3 | 0 | 0 | 0 | 110.9 | R1392 E1744 L1745 I1750 | R1392-I1747 HydrophobicContact CB-CG2 4.44Å; R1392-I1747 HydrophobicContact CG-CG2 3.71Å; E1744-I1747 PolarHBondContact O-N 3.05Å; E1744-I1747 VanDerWaalsContact O-N 3.08Å; L1745-I1747 VanDerWaalsContact C-N 3.25Å; L1745-I1747 PolarHBondContact O-N 3.2Å; I1747-I1750 WeakPolarHBondContact O-CD1 3.48Å; I1747-I1750 WeakPolarHBondContact O-CG1 3.39Å |
| 1748 | N | 78.8 | Confident | 81.7 | Confident | 26 Ų | 26 | 61.2 Ų | 61.2 | 14% | 0.139 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -78.8 | -33.6 | -175.3 | -65.7 | -20.6 | 0 | 0 | 0 | 114 | R1392 T1396 R1400 E1744 L1745 | R1392-N1748 PolarHBondContact NE-OD1 3.44Å; R1392-N1748 PolarHBondContact NH2-ND2 2.76Å; R1392-N1748 PolarHBondContact NH2-OD1 2.82Å; T1396-N1748 WeakPolarHBondContact CG2-O 3.36Å; R1400-N1748 PolarHBondContact NH2-O 3.24Å; E1744-N1748 VanDerWaalsContact CB-ND2 3.31Å; E1744-N1748 WeakPolarHBondContact CB-ND2 2.99Å; E1744-N1748 PolarHBondContact O-N 2.82Å; E1744-N1748 PolarHBondContact O-ND2 2.87Å; L1745-N1748 PolarHBondContact O-N 3.29Å |
| 1749 | E | 84.1 | Confident | 82.1 | Confident | 114 Ų | 114 | 56.7 Ų | 56.7 | 53% | 0.533 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 32.5 | -174.8 | -63 | -61.6 | 161.2 | 0 | 0 | 112.4 | R1400 L1745 P1751 | R1400-E1749 IonicContact CZ-OE2 2.63Å; R1400-E1749 IonicContact NH1-OE2 2.62Å; R1400-E1749 IonicContact NH2-OE2 3.14Å; R1400-E1749 PolarHBondContact NH2-OE2 3.36Å; L1745-E1749 HydrophobicContact CD1-CG 3.74Å; L1745-E1749 HydrophobicContact CG-CG 4.11Å; L1745-E1749 PolarHBondContact O-N 2.66Å; E1749-P1751 WeakPolarHBondContact O-CD 3.29Å |
| 1750 | I | 86.3 | Confident | 82.4 | Confident | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | trans | -71.9 | 124.1 | 172.2 | -61.9 | 173.3 | 0 | 0 | 0 | 109.3 | I1746 I1747 V1753 L1792 T1796 | I1746-I1750 WeakPolarHBondContact O-CG1 3.29Å; I1747-I1750 WeakPolarHBondContact O-CD1 3.48Å; I1747-I1750 WeakPolarHBondContact O-CG1 3.39Å; I1750-V1753 HydrophobicContact CB-CG2 3.95Å; I1750-V1753 HydrophobicContact CG2-CG2 3.76Å; I1750-L1792 HydrophobicContact CD1-CD1 4.3Å; I1750-L1792 HydrophobicContact CD1-CD2 4.28Å; I1750-T1796 HydrophobicContact CG2-CG2 3.44Å; I1750-T1796 VanDerWaalsContact CG2-CG2 3.44Å | ||
| 1751 | P | 83.5 | Confident | 82.9 | Confident | 69 Ų | 69 | 55.2 Ų | 55.2 | 45% | 0.448 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -75.6 | -46 | -174 | 25.7 | -30.7 | 0 | 0 | 0 | 113.5 | E1749 | E1749-P1751 WeakPolarHBondContact O-CD 3.29Š|
| 1752 | N | 83.5 | Confident | 83.4 | Confident | 27 Ų | 27 | 53.9 Ų | 53.9 | 14% | 0.144 | 28% | 0.278 | C | S | . | . | trans | -120.9 | 111 | 170.7 | -173 | 5.3 | 0 | 0 | 0 | 110.4 | D1754 T1796 | N1752-D1754 WeakPolarHBondContact OD1-CB 3.18Å; N1752-D1754 PolarHBondContact OD1-N 3Å; N1752-D1754 VanDerWaalsContact OD1-N 3.13Å; N1752-D1754 PolarHBondContact OD1-OD2 2.97Å; N1752-T1796 VanDerWaalsContact CB-O 3.27Å; N1752-T1796 WeakPolarHBondContact CB-O 3.19Å; N1752-T1796 PolarHBondContact N-O 2.77Å; N1752-T1796 VanDerWaalsContact O-CB 3.22Å; N1752-T1796 WeakPolarHBondContact O-CB 3.22Å; N1752-T1796 WeakPolarHBondContact O-CG2 3.42Å | ||
| 1753 | V | 86.3 | Confident | 84 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.012 | 25% | 0.25 | C | C | . | . | trans | -91.4 | -10 | -174.6 | -172.7 | 0 | 0 | 0 | 0 | 112.2 | V1393 T1396 K1397 I1750 R1755 V1756 L1757 | V1393-V1753 HydrophobicContact CB-CG1 4.09Å; V1393-V1753 HydrophobicContact CG1-CG1 3.23Å; V1393-V1753 WeakPolarHBondContact O-CG1 3.48Å; T1396-V1753 HydrophobicContact CG2-CG2 3.67Å; K1397-V1753 HydrophobicContact CB-CB 4.48Å; I1750-V1753 HydrophobicContact CB-CG2 3.95Å; I1750-V1753 HydrophobicContact CG2-CG2 3.76Å; V1753-R1755 VanDerWaalsContact C-N 3.32Å; V1753-R1755 PolarHBondContact O-N 3.47Å; V1753-V1756 PolarHBondContact O-N 3.31Å; V1753-L1757 PolarHBondContact O-N 3.44Å | ||
| 1754 | D | 82.2 | Confident | 84.4 | Confident | 46 Ų | 46 | 44.5 Ų | 44.5 | 25% | 0.246 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62 | -37.7 | -163.7 | -65.1 | -15.4 | 0 | 0 | 0 | 113.3 | K1397 N1752 L1757 R1758 | K1397-D1754 WeakPolarHBondContact CD-OD1 3.34Å; K1397-D1754 WeakPolarHBondContact CE-OD1 3.26Å; K1397-D1754 IonicContact NZ-OD1 2.75Å; K1397-D1754 PolarHBondContact NZ-OD1 2.92Å; K1397-D1754 IonicContact NZ-OD2 3.1Å; K1397-D1754 PolarHBondContact NZ-OD2 3.17Å; N1752-D1754 WeakPolarHBondContact OD1-CB 3.18Å; N1752-D1754 PolarHBondContact OD1-N 3Å; N1752-D1754 VanDerWaalsContact OD1-N 3.13Å; N1752-D1754 PolarHBondContact OD1-OD2 2.97Å; D1754-L1757 PolarHBondContact O-N 2.73Å; D1754-R1758 VanDerWaalsContact O-CB 3.3Å; D1754-R1758 WeakPolarHBondContact O-CB 3.48Å; D1754-R1758 PolarHBondContact O-N 3.42Å |
| 1755 | R | 83.8 | Confident | 84.6 | Confident | 35 Ų | 35 | 41.9 Ų | 41.9 | 13% | 0.132 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.8 | -37.1 | 176.9 | -59.9 | -171 | -177.9 | 148.4 | -1 | 113 | E811 V1753 L1759 F1795 | E811-R1755 IonicContact OE1-CZ 2.66Å; E811-R1755 IonicContact OE1-NE 3.62Å; E811-R1755 PolarHBondContact OE1-NE 3.09Å; E811-R1755 VanDerWaalsContact OE1-NE 3.1Å; E811-R1755 IonicContact OE1-NH2 3.64Å; E811-R1755 PolarHBondContact OE1-NH2 2.95Å; V1753-R1755 VanDerWaalsContact C-N 3.32Å; V1753-R1755 PolarHBondContact O-N 3.47Å; R1755-L1759 PolarHBondContact O-N 2.82Å; R1755-F1795 HydrophobicContact CB-CD1 3.96Å; R1755-F1795 HydrophobicContact CB-CE1 3.29Å; R1755-F1795 HydrophobicContact CB-CE2 4.38Å; R1755-F1795 HydrophobicContact CB-CZ 3.54Å; R1755-F1795 WeakPolarHBondContact CD-O 3.37Å; R1755-F1795 HydrophobicContact CG-CE1 4.46Å; R1755-F1795 HydrophobicContact CG-CZ 4.45Å; R1755-F1795 PolarHBondContact NH1-O 3.4Å |
| 1756 | V | 87.9 | Confident | 84.8 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.4 | -42 | 177.1 | -174.3 | 0 | 0 | 0 | 0 | 109.8 | V1393 V1753 L1759 C1760 L1782 L1785 L1792 F1795 T1796 | V1393-V1756 HydrophobicContact CG1-CB 4.26Å; V1393-V1756 HydrophobicContact CG1-CG1 4.09Å; V1393-V1756 HydrophobicContact CG2-CG1 3.83Å; V1753-V1756 PolarHBondContact O-N 3.31Å; V1756-L1759 PolarHBondContact O-N 2.76Å; V1756-C1760 PolarHBondContact O-N 3.45Å; V1756-C1760 VanDerWaalsContact O-N 3.11Å; V1756-C1760 PolarHBondContact O-SG 3.27Å; V1756-L1782 HydrophobicContact CG1-CD1 4.17Å; V1756-L1785 HydrophobicContact CG2-CD2 4.03Å; V1756-L1792 HydrophobicContact CG2-CD1 4.28Å; V1756-F1795 HydrophobicContact CG2-CD1 4.14Å; V1756-F1795 HydrophobicContact CG2-CE1 4.24Å; V1756-T1796 HydrophobicContact CG2-CG2 3.72Å |
| 1757 | L | 86.6 | Confident | 85.1 | Confident | 23 Ų | 23 | 34 Ų | 34 | 12% | 0.12 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.1 | -43.5 | 175.9 | -176.4 | 62.7 | 0 | 0 | 0 | 111.5 | F1390 V1393 Y1394 K1397 V1753 D1754 L1759 C1760 L1761 | F1390-L1757 HydrophobicContact CD2-CD1 3.86Å; F1390-L1757 HydrophobicContact CE2-CD1 3.5Å; F1390-L1757 VanDerWaalsContact CE2-CD1 3.5Å; F1390-L1757 HydrophobicContact CZ-CD1 4.47Å; V1393-L1757 HydrophobicContact CG1-CB 3.91Å; V1393-L1757 HydrophobicContact CG1-CD1 4.15Å; Y1394-L1757 HydrophobicContact CD2-CD1 4.39Å; K1397-L1757 HydrophobicContact CB-CD2 4.46Å; K1397-L1757 HydrophobicContact CG-CD2 4.14Å; V1753-L1757 PolarHBondContact O-N 3.44Å; D1754-L1757 PolarHBondContact O-N 2.73Å; L1757-L1759 VanDerWaalsContact C-N 3.33Å; L1757-L1759 PolarHBondContact O-N 2.84Å; L1757-C1760 PolarHBondContact O-N 3.39Å; L1757-L1761 HydrophobicContact CG-CD1 4.31Å; L1757-L1761 WeakPolarHBondContact O-CG 3.18Å; L1757-L1761 PolarHBondContact O-N 2.84Å |
| 1758 | R | 84.1 | Confident | 85.2 | Confident | 92 Ų | 92 | 38.4 Ų | 38.4 | 35% | 0.347 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58.2 | -45.1 | 175.5 | -170.6 | 177.5 | -69.7 | 170.6 | -2.9 | 111.2 | D1754 C1760 L1761 D1762 | D1754-R1758 VanDerWaalsContact O-CB 3.3Å; D1754-R1758 WeakPolarHBondContact O-CB 3.48Å; D1754-R1758 PolarHBondContact O-N 3.42Å; R1758-C1760 VanDerWaalsContact C-N 3.33Å; R1758-C1760 PolarHBondContact O-N 2.82Å; R1758-L1761 PolarHBondContact O-N 3.29Å; R1758-L1761 VanDerWaalsContact O-N 3.11Å; R1758-D1762 PolarHBondContact O-N 2.96Å |
| 1759 | L | 87.7 | Confident | 85.4 | Confident | 10 Ų | 10 | 39.6 Ų | 39.6 | 5% | 0.052 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.1 | -41.2 | 175.6 | -174.5 | 64.3 | 0 | 0 | 0 | 112.5 | R1755 V1756 L1757 D1762 I1763 L1778 K1781 L1782 | R1755-L1759 PolarHBondContact O-N 2.82Å; V1756-L1759 PolarHBondContact O-N 2.76Å; L1757-L1759 VanDerWaalsContact C-N 3.33Å; L1757-L1759 PolarHBondContact O-N 2.84Å; L1759-D1762 PolarHBondContact O-N 3.41Å; L1759-I1763 WeakPolarHBondContact O-CG1 3.27Å; L1759-I1763 PolarHBondContact O-N 3.19Å; L1759-I1763 VanDerWaalsContact O-N 3.15Å; L1759-L1778 HydrophobicContact CD1-CD2 4.08Å; L1759-K1781 HydrophobicContact CD1-CD 4.07Å; L1759-K1781 HydrophobicContact CD1-CG 4.39Å; L1759-K1781 HydrophobicContact CD2-CB 4.43Å; L1759-K1781 HydrophobicContact CD2-CG 4.09Å; L1759-L1782 HydrophobicContact CD2-CB 3.87Å; L1759-L1782 HydrophobicContact CD2-CD1 3.98Å; L1759-L1782 HydrophobicContact CG-CB 4.47Å |
| 1760 | C | 89.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.1 | -40.6 | 174.6 | -64.9 | 0 | 0 | 0 | 0 | 112.5 | F1390 V1756 L1757 R1758 D1762 I1763 F1764 | F1390-C1760 HydrophobicContact CB-CB 4.42Å; F1390-C1760 HydrophobicContact CD2-CB 3.73Å; V1756-C1760 PolarHBondContact O-N 3.45Å; V1756-C1760 VanDerWaalsContact O-N 3.11Å; V1756-C1760 PolarHBondContact O-SG 3.27Å; L1757-C1760 PolarHBondContact O-N 3.39Å; R1758-C1760 VanDerWaalsContact C-N 3.33Å; R1758-C1760 PolarHBondContact O-N 2.82Å; C1760-D1762 VanDerWaalsContact C-N 3.33Å; C1760-I1763 PolarHBondContact O-N 3.42Å; C1760-F1764 VanDerWaalsContact O-CD2 3.28Å; C1760-F1764 WeakPolarHBondContact O-CD2 3.31Å; C1760-F1764 PolarHBondContact O-N 3.25Å; C1760-F1764 VanDerWaalsContact O-N 3.17Å |
| 1761 | L | 85.3 | Confident | 85.6 | Confident | 88 Ų | 88 | 41.1 Ų | 41.1 | 46% | 0.461 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.5 | -36.6 | 176.5 | -68.8 | 172.6 | 0 | 0 | 0 | 111.9 | F1390 L1757 R1758 F1764 L1765 | F1390-L1761 HydrophobicContact CE2-CD2 4.12Å; L1757-L1761 HydrophobicContact CG-CD1 4.31Å; L1757-L1761 WeakPolarHBondContact O-CG 3.18Å; L1757-L1761 PolarHBondContact O-N 2.84Å; R1758-L1761 PolarHBondContact O-N 3.29Å; R1758-L1761 VanDerWaalsContact O-N 3.11Å; L1761-F1764 HydrophobicContact CD2-CD2 4.46Å; L1761-F1764 PolarHBondContact O-N 3.06Å; L1761-L1765 WeakPolarHBondContact O-CB 3.45Å; L1761-L1765 PolarHBondContact O-N 3.48Å |
| 1762 | D | 86 | Confident | 85.8 | Confident | 39 Ų | 39 | 41.1 Ų | 41.1 | 21% | 0.209 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.3 | -40.3 | 175.2 | -65.9 | -21.2 | 0 | 0 | 0 | 111 | I773 R1758 L1759 C1760 F1764 L1765 V1766 L1778 | I773-D1762 HydrophobicContact CD1-CB 4.05Å; R1758-D1762 PolarHBondContact O-N 2.96Å; L1759-D1762 PolarHBondContact O-N 3.41Å; C1760-D1762 VanDerWaalsContact C-N 3.33Å; D1762-F1764 VanDerWaalsContact C-N 3.33Å; D1762-F1764 PolarHBondContact O-N 3.2Å; D1762-L1765 PolarHBondContact O-N 3.07Å; D1762-V1766 WeakPolarHBondContact O-CB 3.31Å; D1762-V1766 WeakPolarHBondContact O-CG2 3.04Å; D1762-V1766 PolarHBondContact O-N 3.39Å; D1762-L1778 HydrophobicContact CB-CD1 4.21Å |
| 1763 | I | 89.3 | Confident | 86 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.2 | -42.4 | 173.8 | -63.9 | 165.5 | 0 | 0 | 0 | 110.7 | M1378 M1386 L1759 C1760 R1767 E1775 L1778 L1782 | M1378-I1763 HydrophobicContact CE-CG2 3.64Å; M1386-I1763 HydrophobicContact CE-CB 3.67Å; M1386-I1763 HydrophobicContact CE-CD1 4.45Å; M1386-I1763 HydrophobicContact CE-CG2 3.44Å; M1386-I1763 VanDerWaalsContact CE-CG2 3.44Å; L1759-I1763 WeakPolarHBondContact O-CG1 3.27Å; L1759-I1763 PolarHBondContact O-N 3.19Å; L1759-I1763 VanDerWaalsContact O-N 3.15Å; C1760-I1763 PolarHBondContact O-N 3.42Å; I1763-R1767 WeakPolarHBondContact O-CB 3.48Å; I1763-R1767 PolarHBondContact O-N 2.77Å; I1763-E1775 HydrophobicContact CG2-CG 4.21Å; I1763-L1778 HydrophobicContact CD1-CB 4.42Å; I1763-L1778 HydrophobicContact CG1-CB 3.67Å; I1763-L1782 HydrophobicContact CD1-CB 4.23Å; I1763-L1782 HydrophobicContact CD1-CD2 3.92Å |
| 1764 | F | 85.6 | Confident | 86 | Confident | 42 Ų | 42 | 45.3 Ų | 45.3 | 18% | 0.184 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.9 | -43.8 | 175.7 | -70.3 | -50.5 | 0 | 0 | 0 | 112.3 | M1386 E1387 F1390 C1760 L1761 D1762 V1766 R1767 E1768 | M1386-F1764 HydrophobicContact CE-CD1 3.6Å; M1386-F1764 HydrophobicContact CE-CD2 4.09Å; M1386-F1764 HydrophobicContact CE-CE1 3.36Å; M1386-F1764 HydrophobicContact CE-CE2 3.89Å; M1386-F1764 HydrophobicContact CE-CG 3.95Å; M1386-F1764 HydrophobicContact CE-CZ 3.53Å; M1386-F1764 HydrophobicContact SD-CD1 4.43Å; M1386-F1764 HydrophobicContact SD-CE1 3.62Å; M1386-F1764 HydrophobicContact SD-CE2 4.43Å; M1386-F1764 HydrophobicContact SD-CZ 3.63Å; E1387-F1764 VanDerWaalsContact OE1-CE1 3.22Å; E1387-F1764 WeakPolarHBondContact OE1-CE1 3.23Å; E1387-F1764 WeakPolarHBondContact OE1-CZ 3.24Å; F1390-F1764 HydrophobicContact CB-CE2 4.41Å; F1390-F1764 HydrophobicContact CB-CZ 4.49Å; F1390-F1764 HydrophobicContact CD1-CE2 4.03Å; F1390-F1764 HydrophobicContact CD1-CZ 4.27Å; F1390-F1764 AromaticContact CD2-CE2 3.77Å; F1390-F1764 HydrophobicContact CD2-CE2 3.77Å; F1390-F1764 HydrophobicContact CE1-CE2 4.22Å; F1390-F1764 AromaticContact CE2-CE2 3.95Å; F1390-F1764 HydrophobicContact CE2-CE2 3.95Å; F1390-F1764 AromaticContact CG-CE2 3.8Å; F1390-F1764 HydrophobicContact CG-CE2 3.8Å; F1390-F1764 HydrophobicContact CG-CZ 4.2Å; F1390-F1764 HydrophobicContact CZ-CE2 4.18Å; C1760-F1764 VanDerWaalsContact O-CD2 3.28Å; C1760-F1764 WeakPolarHBondContact O-CD2 3.31Å; C1760-F1764 PolarHBondContact O-N 3.25Å; C1760-F1764 VanDerWaalsContact O-N 3.17Å; L1761-F1764 HydrophobicContact CD2-CD2 4.46Å; L1761-F1764 PolarHBondContact O-N 3.06Å; D1762-F1764 VanDerWaalsContact C-N 3.33Å; D1762-F1764 PolarHBondContact O-N 3.2Å; F1764-V1766 PolarHBondContact O-N 3.43Å; F1764-R1767 WeakPolarHBondContact O-CB 3.43Å; F1764-R1767 PolarHBondContact O-N 2.77Å; F1764-E1768 PolarHBondContact O-N 3.05Å |
| 1765 | L | 82.5 | Confident | 86.4 | Confident | 29 Ų | 29 | 43.1 Ų | 43.1 | 15% | 0.152 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.3 | -45.7 | 178.4 | -171 | 71.7 | 0 | 0 | 0 | 111.7 | V766 K769 I773 L1761 D1762 E1768 A1769 | V766-L1765 HydrophobicContact CB-CD1 4.29Å; V766-L1765 HydrophobicContact CG1-CD1 3.68Å; V766-L1765 HydrophobicContact CG1-CG 4.36Å; V766-L1765 HydrophobicContact CG2-CD1 3.93Å; K769-L1765 HydrophobicContact CB-CD2 3.9Å; I773-L1765 HydrophobicContact CD1-CD2 4.11Å; L1761-L1765 WeakPolarHBondContact O-CB 3.45Å; L1761-L1765 PolarHBondContact O-N 3.48Å; D1762-L1765 PolarHBondContact O-N 3.07Å; L1765-E1768 PolarHBondContact O-N 3.27Å; L1765-A1769 WeakPolarHBondContact O-CB 3.45Å; L1765-A1769 PolarHBondContact O-N 3.17Å |
| 1766 | V | 86.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.1 | -37.5 | 179.8 | 169.3 | 0 | 0 | 0 | 0 | 111.6 | D1762 F1764 A1769 K1770 D1771 L1774 E1775 L1778 | D1762-V1766 WeakPolarHBondContact O-CB 3.31Å; D1762-V1766 WeakPolarHBondContact O-CG2 3.04Å; D1762-V1766 PolarHBondContact O-N 3.39Å; F1764-V1766 PolarHBondContact O-N 3.43Å; V1766-A1769 PolarHBondContact O-N 2.79Å; V1766-K1770 PolarHBondContact O-N 3.39Å; V1766-K1770 VanDerWaalsContact O-N 3.1Å; V1766-D1771 HydrophobicContact CG1-CB 4.14Å; V1766-D1771 WeakPolarHBondContact CG1-O 3.39Å; V1766-D1771 PolarHBondContact O-N 3.41Å; V1766-L1774 HydrophobicContact CG1-CB 3.75Å; V1766-L1774 HydrophobicContact CG1-CD2 4.04Å; V1766-L1774 HydrophobicContact CG1-CG 3.95Å; V1766-L1774 HydrophobicContact CG2-CD2 3.64Å; V1766-L1774 HydrophobicContact CG2-CG 4.07Å; V1766-E1775 HydrophobicContact CG1-CB 4.05Å; V1766-L1778 HydrophobicContact CG2-CD1 3.89Å |
| 1767 | R | 88.7 | Confident | 86.7 | Confident | 13 Ų | 13 | 43.2 Ų | 43.2 | 5% | 0.049 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.2 | -44.4 | 172.3 | -175.7 | -172.7 | -64 | 160.5 | -2 | 111.4 | V1374 Y1383 I1763 F1764 A1769 K1770 E1775 | V1374-R1767 HydrophobicContact CG1-CG 4.25Å; Y1383-R1767 VanDerWaalsContact CE2-CZ 3.45Å; I1763-R1767 WeakPolarHBondContact O-CB 3.48Å; I1763-R1767 PolarHBondContact O-N 2.77Å; F1764-R1767 WeakPolarHBondContact O-CB 3.43Å; F1764-R1767 PolarHBondContact O-N 2.77Å; R1767-A1769 VanDerWaalsContact C-N 3.34Å; R1767-K1770 PolarHBondContact O-N 3.1Å; R1767-K1770 VanDerWaalsContact O-N 3.16Å; R1767-E1775 IonicContact CZ-OE1 3.05Å; R1767-E1775 IonicContact NE-OE1 2.77Å; R1767-E1775 PolarHBondContact NE-OE1 3.29Å; R1767-E1775 IonicContact NH2-OE1 2.76Å |
| 1768 | E | 80.7 | Confident | 86.8 | Confident | 147 Ų | 147 | 42.9 Ų | 42.9 | 69% | 0.687 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -66.9 | -34.7 | 176.4 | -71.8 | -170.1 | 166.1 | 0 | 0 | 112.9 | F1764 L1765 K1770 | F1764-E1768 PolarHBondContact O-N 3.05Å; L1765-E1768 PolarHBondContact O-N 3.27Å; E1768-K1770 PolarHBondContact O-N 3.31Å |
| 1769 | A | 82.4 | Confident | 87.1 | Confident | 50 Ų | 50 | 38.5 Ų | 38.5 | 41% | 0.413 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -8.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | T770 L1765 V1766 R1767 D1771 | T770-A1769 HydrophobicContact CG2-CB 4.11Å; L1765-A1769 WeakPolarHBondContact O-CB 3.45Å; L1765-A1769 PolarHBondContact O-N 3.17Å; V1766-A1769 PolarHBondContact O-N 2.79Å; R1767-A1769 VanDerWaalsContact C-N 3.34Å; A1769-D1771 VanDerWaalsContact C-N 3.3Å; A1769-D1771 PolarHBondContact O-N 3.15Å |
| 1770 | K | 86.8 | Confident | 87.2 | Confident | 117 Ų | 117 | 38.2 Ų | 38.2 | 51% | 0.509 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 28 | -177 | -51 | -171.9 | 178.3 | -156.8 | 0 | 114.7 | E1375 V1766 R1767 E1768 F1772 | E1375-K1770 VanDerWaalsContact CD-NZ 3.33Å; E1375-K1770 IonicContact OE1-NZ 3.24Å; E1375-K1770 PolarHBondContact OE1-NZ 3.14Å; E1375-K1770 VanDerWaalsContact OE2-CE 3.26Å; E1375-K1770 WeakPolarHBondContact OE2-CE 3.19Å; E1375-K1770 IonicContact OE2-NZ 2.82Å; E1375-K1770 PolarHBondContact OE2-NZ 3.44Å; V1766-K1770 PolarHBondContact O-N 3.39Å; V1766-K1770 VanDerWaalsContact O-N 3.1Å; R1767-K1770 PolarHBondContact O-N 3.1Å; R1767-K1770 VanDerWaalsContact O-N 3.16Å; E1768-K1770 PolarHBondContact O-N 3.31Å; K1770-F1772 HydrophobicContact CB-CE2 4.35Å; K1770-F1772 HydrophobicContact CB-CZ 4.03Å; K1770-F1772 HydrophobicContact CG-CZ 4.41Å; K1770-F1772 PolarHBondContact O-N 3.14Å |
| 1771 | D | 87.7 | Confident | 87.2 | Confident | 34 Ų | 34 | 39.1 Ų | 39.1 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | trans | -92.7 | 75.6 | 172.7 | -162.1 | -20.5 | 0 | 0 | 0 | 110 | R774 V1766 A1769 L1773 L1774 E1775 | R774-D1771 IonicContact CZ-OD2 3.88Å; R774-D1771 IonicContact NH1-OD2 3.06Å; R774-D1771 PolarHBondContact NH1-OD2 3.5Å; V1766-D1771 HydrophobicContact CG1-CB 4.14Å; V1766-D1771 WeakPolarHBondContact CG1-O 3.39Å; V1766-D1771 PolarHBondContact O-N 3.41Å; A1769-D1771 VanDerWaalsContact C-N 3.3Å; A1769-D1771 PolarHBondContact O-N 3.15Å; D1771-L1773 VanDerWaalsContact C-N 3.28Å; D1771-L1773 PolarHBondContact O-N 3.36Å; D1771-L1774 HydrophobicContact CB-CB 4.42Å; D1771-L1774 PolarHBondContact O-N 2.79Å; D1771-E1775 PolarHBondContact O-N 3.28Å; D1771-E1775 VanDerWaalsContact O-N 3.07Å | ||
| 1772 | F | 89.3 | Confident | 87.4 | Confident | 70 Ų | 70 | 34.9 Ų | 34.9 | 31% | 0.307 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -65 | -26.2 | -170.7 | -59.9 | -51.3 | 0 | 0 | 0 | 114.5 | E1375 K1770 E1775 I1776 | E1375-F1772 HydrophobicContact CB-CE1 4.45Å; E1375-F1772 HydrophobicContact CB-CZ 4.01Å; E1375-F1772 WeakPolarHBondContact O-CE1 3.49Å; K1770-F1772 HydrophobicContact CB-CE2 4.35Å; K1770-F1772 HydrophobicContact CB-CZ 4.03Å; K1770-F1772 HydrophobicContact CG-CZ 4.41Å; K1770-F1772 PolarHBondContact O-N 3.14Å; F1772-E1775 WeakPolarHBondContact O-CB 3.48Å; F1772-E1775 PolarHBondContact O-N 2.82Å; F1772-I1776 VanDerWaalsContact O-CG1 3.31Å; F1772-I1776 WeakPolarHBondContact O-CG1 3.47Å; F1772-I1776 PolarHBondContact O-N 2.98Å |
| 1773 | L | 87 | Confident | 87.7 | Confident | 114 Ų | 114 | 35.1 Ų | 35.1 | 60% | 0.597 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -65.4 | -48.8 | 176.8 | -167.3 | 107.8 | 0 | 0 | 0 | 109.6 | D1771 E1775 I1776 D1777 | D1771-L1773 VanDerWaalsContact C-N 3.28Å; D1771-L1773 PolarHBondContact O-N 3.36Å; L1773-E1775 VanDerWaalsContact C-N 3.29Å; L1773-E1775 PolarHBondContact O-N 3.11Å; L1773-I1776 PolarHBondContact O-N 3.09Å; L1773-D1777 VanDerWaalsContact O-CG 3.28Å; L1773-D1777 PolarHBondContact O-N 2.85Å; L1773-D1777 VanDerWaalsContact O-N 3.13Å |
| 1774 | L | 87.1 | Confident | 87.7 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.3 | -32.5 | 176.9 | -172.9 | 65.4 | 0 | 0 | 0 | 112 | I773 R774 Y777 V1766 D1771 D1777 L1778 | I773-L1774 HydrophobicContact CG2-CD1 4.35Å; I773-L1774 HydrophobicContact CG2-CD2 3.89Å; I773-L1774 HydrophobicContact CG2-CG 4.42Å; R774-L1774 HydrophobicContact CB-CD2 4.45Å; Y777-L1774 HydrophobicContact CD1-CD1 3.76Å; Y777-L1774 HydrophobicContact CD2-CD1 4.37Å; Y777-L1774 HydrophobicContact CE1-CD1 4.38Å; Y777-L1774 HydrophobicContact CG-CD1 3.75Å; V1766-L1774 HydrophobicContact CG1-CB 3.75Å; V1766-L1774 HydrophobicContact CG1-CD2 4.04Å; V1766-L1774 HydrophobicContact CG1-CG 3.95Å; V1766-L1774 HydrophobicContact CG2-CD2 3.64Å; V1766-L1774 HydrophobicContact CG2-CG 4.07Å; D1771-L1774 HydrophobicContact CB-CB 4.42Å; D1771-L1774 PolarHBondContact O-N 2.79Å; L1774-D1777 PolarHBondContact O-N 2.69Å; L1774-L1778 HydrophobicContact CD1-CD1 4.48Å; L1774-L1778 HydrophobicContact CD1-CG 4.28Å; L1774-L1778 HydrophobicContact CG-CD1 4.1Å; L1774-L1778 HydrophobicContact CG-CG 4.32Å; L1774-L1778 WeakPolarHBondContact O-CB 3.26Å; L1774-L1778 VanDerWaalsContact O-CG 3.29Å; L1774-L1778 WeakPolarHBondContact O-CG 3.43Å; L1774-L1778 PolarHBondContact O-N 3.39Å |
| 1775 | E | 90.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58 | -47.3 | 173.2 | -179.3 | -172.6 | -154.9 | 0 | 0 | 111.3 | T1376 S1377 M1378 I1763 V1766 R1767 D1771 F1772 L1773 Y1779 | T1376-E1775 PolarHBondContact OG1-OE1 3.3Å; T1376-E1775 PolarHBondContact OG1-OE2 3.29Å; S1377-E1775 PolarHBondContact N-OE2 3.04Å; S1377-E1775 PolarHBondContact OG-OE2 3.42Å; M1378-E1775 HydrophobicContact CE-CG 3.52Å; I1763-E1775 HydrophobicContact CG2-CG 4.21Å; V1766-E1775 HydrophobicContact CG1-CB 4.05Å; R1767-E1775 IonicContact CZ-OE1 3.05Å; R1767-E1775 IonicContact NE-OE1 2.77Å; R1767-E1775 PolarHBondContact NE-OE1 3.29Å; R1767-E1775 IonicContact NH2-OE1 2.76Å; D1771-E1775 PolarHBondContact O-N 3.28Å; D1771-E1775 VanDerWaalsContact O-N 3.07Å; F1772-E1775 WeakPolarHBondContact O-CB 3.48Å; F1772-E1775 PolarHBondContact O-N 2.82Å; L1773-E1775 VanDerWaalsContact C-N 3.29Å; L1773-E1775 PolarHBondContact O-N 3.11Å; E1775-Y1779 VanDerWaalsContact O-CB 3.31Å; E1775-Y1779 WeakPolarHBondContact O-CB 3.33Å; E1775-Y1779 PolarHBondContact O-N 2.81Å |
| 1776 | I | 89.8 | Confident | 88.2 | Confident | 25 Ų | 25 | 35.4 Ų | 35.4 | 13% | 0.128 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.8 | -43.5 | -179.6 | -62.3 | 165.5 | 0 | 0 | 0 | 110.4 | Y792 A795 S1377 F1772 L1773 Y1779 A1780 | Y792-I1776 HydrophobicContact CD2-CD1 3.82Å; Y792-I1776 HydrophobicContact CD2-CG1 3.99Å; Y792-I1776 HydrophobicContact CD2-CG2 4.23Å; Y792-I1776 HydrophobicContact CE2-CD1 4.24Å; Y792-I1776 HydrophobicContact CE2-CG1 3.88Å; Y792-I1776 HydrophobicContact CE2-CG2 4.19Å; A795-I1776 HydrophobicContact CB-CG2 3.51Å; S1377-I1776 VanDerWaalsContact OG-CG1 3.24Å; S1377-I1776 WeakPolarHBondContact OG-CG1 3.33Å; F1772-I1776 VanDerWaalsContact O-CG1 3.31Å; F1772-I1776 WeakPolarHBondContact O-CG1 3.47Å; F1772-I1776 PolarHBondContact O-N 2.98Å; L1773-I1776 PolarHBondContact O-N 3.09Å; I1776-Y1779 PolarHBondContact O-N 3.4Å; I1776-A1780 PolarHBondContact O-N 3.2Å |
| 1777 | D | 86.9 | Confident | 88.3 | Confident | 12 Ų | 12 | 44.7 Ų | 44.7 | 6% | 0.064 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.7 | -41.9 | -175.7 | -63.8 | -25.4 | 0 | 0 | 0 | 111.9 | Y777 L1773 L1774 Y1779 A1780 K1781 | Y777-D1777 HydrophobicContact CE1-CB 4.42Å; Y777-D1777 WeakPolarHBondContact CE1-OD2 3.25Å; Y777-D1777 HydrophobicContact CE2-CB 3.88Å; Y777-D1777 WeakPolarHBondContact OH-CB 3.46Å; Y777-D1777 PolarHBondContact OH-OD2 2.85Å; L1773-D1777 VanDerWaalsContact O-CG 3.28Å; L1773-D1777 PolarHBondContact O-N 2.85Å; L1773-D1777 VanDerWaalsContact O-N 3.13Å; L1774-D1777 PolarHBondContact O-N 2.69Å; D1777-Y1779 VanDerWaalsContact C-N 3.32Å; D1777-Y1779 PolarHBondContact O-N 3.45Å; D1777-A1780 WeakPolarHBondContact O-CB 3.29Å; D1777-A1780 PolarHBondContact O-N 2.86Å; D1777-K1781 PolarHBondContact O-N 3.17Å |
| 1778 | L | 88.7 | Confident | 88.3 | Confident | 15 Ų | 15 | 44.5 Ų | 44.5 | 8% | 0.079 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.4 | -34.2 | 172.7 | -68.9 | 176.8 | 0 | 0 | 0 | 112.2 | I773 L1759 D1762 I1763 V1766 L1774 K1781 L1782 | I773-L1778 HydrophobicContact CG2-CD1 4.06Å; I773-L1778 HydrophobicContact CG2-CD2 4.48Å; L1759-L1778 HydrophobicContact CD1-CD2 4.08Å; D1762-L1778 HydrophobicContact CB-CD1 4.21Å; I1763-L1778 HydrophobicContact CD1-CB 4.42Å; I1763-L1778 HydrophobicContact CG1-CB 3.67Å; V1766-L1778 HydrophobicContact CG2-CD1 3.89Å; L1774-L1778 HydrophobicContact CD1-CD1 4.48Å; L1774-L1778 HydrophobicContact CD1-CG 4.28Å; L1774-L1778 HydrophobicContact CG-CD1 4.1Å; L1774-L1778 HydrophobicContact CG-CG 4.32Å; L1774-L1778 WeakPolarHBondContact O-CB 3.26Å; L1774-L1778 VanDerWaalsContact O-CG 3.29Å; L1774-L1778 WeakPolarHBondContact O-CG 3.43Å; L1774-L1778 PolarHBondContact O-N 3.39Å; L1778-K1781 VanDerWaalsContact O-CB 3.29Å; L1778-K1781 WeakPolarHBondContact O-CB 3.28Å; L1778-K1781 PolarHBondContact O-N 2.9Å; L1778-L1782 PolarHBondContact O-N 2.97Å |
| 1779 | Y | 91.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.1 | -39.4 | 172.6 | 179.6 | -113.3 | 0 | 0 | 0 | 112.1 | K796 M1378 D1382 M1386 E1775 I1776 D1777 K1781 L1782 I1783 | K796-Y1779 HydrophobicContact CD-CE1 4.27Å; K796-Y1779 HydrophobicContact CG-CE1 4.27Å; M1378-Y1779 VanDerWaalsContact CE-CB 3.48Å; M1378-Y1779 HydrophobicContact CE-CD1 4.34Å; M1378-Y1779 HydrophobicContact CE-CD2 3.92Å; M1378-Y1779 HydrophobicContact CE-CG 3.66Å; M1378-Y1779 HydrophobicContact SD-CD1 4.29Å; M1378-Y1779 HydrophobicContact SD-CD2 4.08Å; M1378-Y1779 HydrophobicContact SD-CE2 4.41Å; M1378-Y1779 HydrophobicContact SD-CG 4.02Å; D1382-Y1779 WeakPolarHBondContact CA-OH 3.31Å; D1382-Y1779 HydrophobicContact CB-CE1 3.75Å; D1382-Y1779 WeakPolarHBondContact CB-OH 3.19Å; D1382-Y1779 PolarHBondContact O-OH 2.83Å; D1382-Y1779 PolarHBondContact OD1-OH 3.39Å; M1386-Y1779 HydrophobicContact CB-CD2 4.29Å; M1386-Y1779 HydrophobicContact CB-CE2 3.93Å; M1386-Y1779 HydrophobicContact CG-CD2 4.32Å; M1386-Y1779 HydrophobicContact CG-CE2 4.44Å; E1775-Y1779 VanDerWaalsContact O-CB 3.31Å; E1775-Y1779 WeakPolarHBondContact O-CB 3.33Å; E1775-Y1779 PolarHBondContact O-N 2.81Å; I1776-Y1779 PolarHBondContact O-N 3.4Å; D1777-Y1779 VanDerWaalsContact C-N 3.32Å; D1777-Y1779 PolarHBondContact O-N 3.45Å; Y1779-K1781 VanDerWaalsContact C-N 3.25Å; Y1779-K1781 PolarHBondContact O-N 2.91Å; Y1779-L1782 PolarHBondContact O-N 3.06Å; Y1779-L1782 VanDerWaalsContact O-N 3.17Å; Y1779-I1783 HydrophobicContact CD1-CG1 4.29Å; Y1779-I1783 HydrophobicContact CD2-CG1 4.21Å; Y1779-I1783 HydrophobicContact CE1-CD1 4.48Å; Y1779-I1783 HydrophobicContact CE1-CG1 3.88Å; Y1779-I1783 HydrophobicContact CE2-CD1 3.88Å; Y1779-I1783 HydrophobicContact CE2-CG1 3.76Å; Y1779-I1783 HydrophobicContact CG-CG1 4.46Å; Y1779-I1783 WeakPolarHBondContact O-CG1 3.43Å; Y1779-I1783 PolarHBondContact O-N 3.13Å |
| 1780 | A | 89.7 | Confident | 88.8 | Confident | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.033 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.5 | -39.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | A795 I1776 D1777 I1783 F1784 | A795-A1780 VanDerWaalsContact O-CB 3.3Å; A795-A1780 WeakPolarHBondContact O-CB 3.36Å; I1776-A1780 PolarHBondContact O-N 3.2Å; D1777-A1780 WeakPolarHBondContact O-CB 3.29Å; D1777-A1780 PolarHBondContact O-N 2.86Å; A1780-I1783 PolarHBondContact O-N 2.71Å; A1780-F1784 WeakPolarHBondContact O-CB 3.49Å; A1780-F1784 PolarHBondContact O-N 3.21Å |
| 1781 | K | 89 | Confident | 88.9 | Confident | 19 Ų | 19 | 40 Ų | 40 | 8% | 0.083 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.8 | -51.1 | 170 | -169.3 | 168.4 | 178.9 | 160.6 | 0 | 112.8 | M803 F804 D807 L1759 D1777 L1778 Y1779 I1783 F1784 L1785 | M803-K1781 HydrophobicContact CE-CB 3.62Å; M803-K1781 HydrophobicContact CE-CG 3.69Å; M803-K1781 HydrophobicContact CG-CB 4.29Å; M803-K1781 HydrophobicContact CG-CD 3.52Å; M803-K1781 HydrophobicContact CG-CG 3.73Å; M803-K1781 WeakPolarHBondContact O-CE 3.3Å; M803-K1781 PolarHBondContact O-NZ 2.97Å; M803-K1781 HydrophobicContact SD-CB 3.36Å; M803-K1781 WeakPolarHBondContact SD-CB 3.49Å; M803-K1781 HydrophobicContact SD-CD 3.74Å; M803-K1781 HydrophobicContact SD-CG 3.48Å; M803-K1781 WeakPolarHBondContact SD-CG 3.47Å; F804-K1781 HydrophobicContact CE1-CD 4.4Å; F804-K1781 HydrophobicContact CE1-CG 3.77Å; F804-K1781 HydrophobicContact CZ-CG 3.68Å; F804-K1781 WeakPolarHBondContact CZ-O 3.45Å; D807-K1781 IonicContact OD2-NZ 3.91Å; D807-K1781 PolarHBondContact OD2-NZ 3.07Å; L1759-K1781 HydrophobicContact CD1-CD 4.07Å; L1759-K1781 HydrophobicContact CD1-CG 4.39Å; L1759-K1781 HydrophobicContact CD2-CB 4.43Å; L1759-K1781 HydrophobicContact CD2-CG 4.09Å; D1777-K1781 PolarHBondContact O-N 3.17Å; L1778-K1781 VanDerWaalsContact O-CB 3.29Å; L1778-K1781 WeakPolarHBondContact O-CB 3.28Å; L1778-K1781 PolarHBondContact O-N 2.9Å; Y1779-K1781 VanDerWaalsContact C-N 3.25Å; Y1779-K1781 PolarHBondContact O-N 2.91Å; K1781-I1783 PolarHBondContact O-N 3.31Å; K1781-F1784 PolarHBondContact O-N 3.27Å; K1781-L1785 WeakPolarHBondContact O-CB 3.44Å; K1781-L1785 PolarHBondContact O-N 3.06Å |
| 1782 | L | 90.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.8 | -44.1 | 179.8 | -179.3 | 64.1 | 0 | 0 | 0 | 112.1 | I1389 V1756 L1759 I1763 L1778 Y1779 L1785 L1786 | I1389-L1782 HydrophobicContact CD1-CD2 4.37Å; I1389-L1782 HydrophobicContact CG2-CD1 4.28Å; I1389-L1782 HydrophobicContact CG2-CD2 4.2Å; V1756-L1782 HydrophobicContact CG1-CD1 4.17Å; L1759-L1782 HydrophobicContact CD2-CB 3.87Å; L1759-L1782 HydrophobicContact CD2-CD1 3.98Å; L1759-L1782 HydrophobicContact CG-CB 4.47Å; I1763-L1782 HydrophobicContact CD1-CB 4.23Å; I1763-L1782 HydrophobicContact CD1-CD2 3.92Å; L1778-L1782 PolarHBondContact O-N 2.97Å; Y1779-L1782 PolarHBondContact O-N 3.06Å; Y1779-L1782 VanDerWaalsContact O-N 3.17Å; L1782-L1785 WeakPolarHBondContact O-CB 3.45Å; L1782-L1785 PolarHBondContact O-N 2.57Å; L1782-L1786 HydrophobicContact CD1-CD1 4.47Å; L1782-L1786 HydrophobicContact CG-CD1 4.45Å; L1782-L1786 WeakPolarHBondContact O-CG 3.29Å; L1782-L1786 PolarHBondContact O-N 2.9Å; L1782-L1786 VanDerWaalsContact O-N 3.11Å |
| 1783 | I | 90.8 | Very high | 88.8 | Confident | 44 Ų | 44 | 40.8 Ų | 40.8 | 23% | 0.226 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67 | -41.6 | 180 | -69.2 | -63.5 | 0 | 0 | 0 | 111.5 | I1389 Y1779 A1780 K1781 L1785 L1786 R1787 | I1389-I1783 HydrophobicContact CD1-CD1 4.32Å; Y1779-I1783 HydrophobicContact CD1-CG1 4.29Å; Y1779-I1783 HydrophobicContact CD2-CG1 4.21Å; Y1779-I1783 HydrophobicContact CE1-CD1 4.48Å; Y1779-I1783 HydrophobicContact CE1-CG1 3.88Å; Y1779-I1783 HydrophobicContact CE2-CD1 3.88Å; Y1779-I1783 HydrophobicContact CE2-CG1 3.76Å; Y1779-I1783 HydrophobicContact CG-CG1 4.46Å; Y1779-I1783 WeakPolarHBondContact O-CG1 3.43Å; Y1779-I1783 PolarHBondContact O-N 3.13Å; A1780-I1783 PolarHBondContact O-N 2.71Å; K1781-I1783 PolarHBondContact O-N 3.31Å; I1783-L1785 VanDerWaalsContact C-N 3.34Å; I1783-L1786 PolarHBondContact O-N 2.76Å; I1783-R1787 WeakPolarHBondContact O-CB 3.44Å; I1783-R1787 PolarHBondContact O-N 2.92Å |
| 1784 | F | 90.6 | Very high | 88.7 | Confident | 31 Ų | 31 | 43.1 Ų | 43.1 | 14% | 0.136 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.1 | -42.2 | 175.5 | -177 | -89.1 | 0 | 0 | 0 | 111.7 | G799 Y801 M803 F804 A1780 K1781 L1786 R1787 S1788 | G799-F1784 VanDerWaalsContact C-CD2 3.44Å; G799-F1784 WeakPolarHBondContact O-CD2 3.4Å; G799-F1784 WeakPolarHBondContact O-CE2 3.31Å; Y801-F1784 HydrophobicContact CD1-CE1 4.1Å; Y801-F1784 HydrophobicContact CD1-CZ 4.01Å; Y801-F1784 AromaticContact CD2-CZ 3.83Å; Y801-F1784 HydrophobicContact CD2-CZ 3.83Å; Y801-F1784 HydrophobicContact CE1-CE1 4.35Å; Y801-F1784 HydrophobicContact CE1-CZ 4.09Å; Y801-F1784 AromaticContact CE2-CZ 3.91Å; Y801-F1784 HydrophobicContact CE2-CZ 3.91Å; Y801-F1784 HydrophobicContact CG-CE1 4.24Å; Y801-F1784 AromaticContact CG-CZ 3.88Å; Y801-F1784 HydrophobicContact CG-CZ 3.88Å; M803-F1784 HydrophobicContact CE-CB 4.46Å; F804-F1784 HydrophobicContact CD2-CD1 4.19Å; F804-F1784 HydrophobicContact CD2-CE1 4.24Å; F804-F1784 AromaticContact CE2-CD1 3.3Å; F804-F1784 HydrophobicContact CE2-CD1 3.3Å; F804-F1784 AromaticContact CE2-CE1 3.77Å; F804-F1784 HydrophobicContact CE2-CE1 3.77Å; F804-F1784 HydrophobicContact CE2-CG 4.32Å; F804-F1784 AromaticContact CZ-CD1 3.93Å; F804-F1784 HydrophobicContact CZ-CD1 3.93Å; A1780-F1784 WeakPolarHBondContact O-CB 3.49Å; A1780-F1784 PolarHBondContact O-N 3.21Å; K1781-F1784 PolarHBondContact O-N 3.27Å; F1784-L1786 VanDerWaalsContact C-N 3.28Å; F1784-L1786 PolarHBondContact O-N 3.43Å; F1784-R1787 PolarHBondContact O-N 3.45Å; F1784-R1787 VanDerWaalsContact O-N 3.08Å; F1784-S1788 PolarHBondContact O-N 2.91Å |
| 1785 | L | 89.4 | Confident | 88.5 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57 | -42.5 | 176.4 | -176.3 | 66 | 0 | 0 | 0 | 111.7 | F804 V1756 K1781 L1782 I1783 S1788 T1791 L1792 F1795 | F804-L1785 HydrophobicContact CD1-CD1 4.1Å; F804-L1785 HydrophobicContact CE1-CB 3.86Å; F804-L1785 HydrophobicContact CE1-CD1 3.7Å; F804-L1785 HydrophobicContact CE1-CD2 4.44Å; F804-L1785 HydrophobicContact CE1-CG 4.2Å; F804-L1785 HydrophobicContact CZ-CB 3.86Å; F804-L1785 HydrophobicContact CZ-CD1 4.28Å; V1756-L1785 HydrophobicContact CG2-CD2 4.03Å; K1781-L1785 WeakPolarHBondContact O-CB 3.44Å; K1781-L1785 PolarHBondContact O-N 3.06Å; L1782-L1785 WeakPolarHBondContact O-CB 3.45Å; L1782-L1785 PolarHBondContact O-N 2.57Å; I1783-L1785 VanDerWaalsContact C-N 3.34Å; L1785-S1788 VanDerWaalsContact O-O 3.09Å; L1785-T1791 HydrophobicContact CD1-CG2 3.94Å; L1785-L1792 HydrophobicContact CD1-CB 4.41Å; L1785-L1792 HydrophobicContact CD1-CD1 4.32Å; L1785-L1792 HydrophobicContact CD2-CD1 4.18Å; L1785-L1792 HydrophobicContact CG-CD1 3.92Å; L1785-F1795 HydrophobicContact CD1-CB 3.81Å; L1785-F1795 HydrophobicContact CD1-CD1 4.04Å; L1785-F1795 HydrophobicContact CD1-CG 4.01Å; L1785-F1795 HydrophobicContact CD2-CD1 3.65Å; L1785-F1795 HydrophobicContact CD2-CE1 3.87Å; L1785-F1795 HydrophobicContact CD2-CG 4.42Å |
| 1786 | L | 87.5 | Confident | 88.4 | Confident | 45 Ų | 45 | 44.1 Ų | 44.1 | 24% | 0.236 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -77.6 | -20.4 | 178.1 | -67.9 | 173.2 | 0 | 0 | 0 | 113.7 | I1389 L1782 I1783 F1784 | I1389-L1786 HydrophobicContact CB-CD1 4.44Å; I1389-L1786 HydrophobicContact CD1-CD1 3.37Å; I1389-L1786 HydrophobicContact CG1-CD1 3.68Å; I1389-L1786 HydrophobicContact CG2-CD1 3.86Å; L1782-L1786 HydrophobicContact CD1-CD1 4.47Å; L1782-L1786 HydrophobicContact CG-CD1 4.45Å; L1782-L1786 WeakPolarHBondContact O-CG 3.29Å; L1782-L1786 PolarHBondContact O-N 2.9Å; L1782-L1786 VanDerWaalsContact O-N 3.11Å; I1783-L1786 PolarHBondContact O-N 2.76Å; F1784-L1786 VanDerWaalsContact C-N 3.28Å; F1784-L1786 PolarHBondContact O-N 3.43Å |
| 1787 | R | 89 | Confident | 88 | Confident | 195 Ų | 195 | 51.8 Ų | 51.8 | 74% | 0.736 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -80.4 | -26.6 | 175.9 | -168 | 176.4 | -178.7 | -172.3 | -2.2 | 112.4 | I1783 F1784 | I1783-R1787 WeakPolarHBondContact O-CB 3.44Å; I1783-R1787 PolarHBondContact O-N 2.92Å; F1784-R1787 PolarHBondContact O-N 3.45Å; F1784-R1787 VanDerWaalsContact O-N 3.08Å |
| 1788 | S | 88.7 | Confident | 87.3 | Confident | 9 Ų | 9 | 54.3 Ų | 54.3 | 6% | 0.063 | 25% | 0.249 | C | C | . | . | trans | -107.5 | 102.2 | 177.8 | 178.9 | 0 | 0 | 0 | 0 | 111.7 | F1784 L1785 E1790 T1791 L1792 | F1784-S1788 PolarHBondContact O-N 2.91Å; L1785-S1788 VanDerWaalsContact O-O 3.09Å; S1788-E1790 PolarHBondContact O-N 3.3Å; S1788-T1791 WeakPolarHBondContact CB-OG1 3.34Å; S1788-T1791 PolarHBondContact O-N 3.21Å; S1788-T1791 PolarHBondContact OG-N 3.27Å; S1788-T1791 PolarHBondContact OG-OG1 3.34Å; S1788-L1792 PolarHBondContact O-N 3.07Å | ||
| 1789 | P | 87.2 | Confident | 86.1 | Confident | 62 Ų | 62 | 58 Ų | 58 | 40% | 0.403 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.2 | -35.4 | 176.9 | 23.4 | -34 | 0 | 0 | 0 | 112.6 | I1746 L1792 I1793 | I1746-P1789 HydrophobicContact CD1-CB 3.54Å; P1789-L1792 PolarHBondContact O-N 2.93Å; P1789-I1793 VanDerWaalsContact O-CG1 3.26Å; P1789-I1793 WeakPolarHBondContact O-CG1 3.22Å; P1789-I1793 PolarHBondContact O-N 3.28Å |
| 1790 | E | 87.3 | Confident | 84.4 | Confident | 146 Ų | 146 | 64.5 Ų | 64.5 | 68% | 0.682 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -66.4 | -45.6 | -179.2 | -62.8 | -177.5 | 177.3 | 0 | 0 | 111.1 | S1788 I1793 R1794 | S1788-E1790 PolarHBondContact O-N 3.3Å; E1790-I1793 PolarHBondContact O-N 3.35Å; E1790-R1794 WeakPolarHBondContact O-CB 3.31Å; E1790-R1794 PolarHBondContact O-N 2.78Å |
| 1791 | T | 88.2 | Confident | 82 | Confident | 11 Ų | 11 | 76.2 Ų | 76.2 | 7% | 0.067 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.2 | -41.5 | 176.3 | -48.4 | 0 | 0 | 0 | 0 | 110.6 | Y801 F804 L1785 S1788 I1793 R1794 F1795 | Y801-T1791 WeakPolarHBondContact CE1-OG1 3.36Å; F804-T1791 HydrophobicContact CB-CG2 4.06Å; F804-T1791 HydrophobicContact CD1-CG2 4.06Å; F804-T1791 HydrophobicContact CD2-CG2 3.64Å; F804-T1791 HydrophobicContact CE1-CG2 4.47Å; F804-T1791 HydrophobicContact CE2-CG2 4.12Å; F804-T1791 HydrophobicContact CG-CG2 3.62Å; F804-T1791 HydrophobicContact CZ-CG2 4.48Å; L1785-T1791 HydrophobicContact CD1-CG2 3.94Å; S1788-T1791 WeakPolarHBondContact CB-OG1 3.34Å; S1788-T1791 PolarHBondContact O-N 3.21Å; S1788-T1791 PolarHBondContact OG-N 3.27Å; S1788-T1791 PolarHBondContact OG-OG1 3.34Å; T1791-I1793 PolarHBondContact O-N 2.79Å; T1791-R1794 PolarHBondContact O-N 3.34Å; T1791-F1795 WeakPolarHBondContact O-CB 3.32Å; T1791-F1795 PolarHBondContact O-N 3.35Å |
| 1792 | L | 87.9 | Confident | 81.6 | Confident | 4 Ų | 4 | 79.1 Ų | 79.1 | 2% | 0.021 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.3 | -46.7 | 176.5 | -176.4 | 65.8 | 0 | 0 | 0 | 112 | I1746 I1750 V1756 L1785 S1788 P1789 F1795 T1796 | I1746-L1792 HydrophobicContact CG1-CD2 4.12Å; I1750-L1792 HydrophobicContact CD1-CD1 4.3Å; I1750-L1792 HydrophobicContact CD1-CD2 4.28Å; V1756-L1792 HydrophobicContact CG2-CD1 4.28Å; L1785-L1792 HydrophobicContact CD1-CB 4.41Å; L1785-L1792 HydrophobicContact CD1-CD1 4.32Å; L1785-L1792 HydrophobicContact CD2-CD1 4.18Å; L1785-L1792 HydrophobicContact CG-CD1 3.92Å; S1788-L1792 PolarHBondContact O-N 3.07Å; P1789-L1792 PolarHBondContact O-N 2.93Å; L1792-F1795 PolarHBondContact O-N 3.04Å; L1792-T1796 HydrophobicContact CD1-CG2 3.92Å; L1792-T1796 HydrophobicContact CG-CG2 4.44Å; L1792-T1796 WeakPolarHBondContact O-CB 3.48Å; L1792-T1796 VanDerWaalsContact O-CG2 3.26Å; L1792-T1796 WeakPolarHBondContact O-CG2 3.48Å; L1792-T1796 PolarHBondContact O-N 3.23Å; L1792-T1796 PolarHBondContact O-OG1 3Å |
| 1793 | I | 87.4 | Confident | 81.2 | Confident | 117 Ų | 117 | 83.2 Ų | 83.2 | 60% | 0.6 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -63.6 | -45 | 178 | -69 | 165.5 | 0 | 0 | 0 | 110.7 | P1789 E1790 T1791 F1795 T1796 R1797 | P1789-I1793 VanDerWaalsContact O-CG1 3.26Å; P1789-I1793 WeakPolarHBondContact O-CG1 3.22Å; P1789-I1793 PolarHBondContact O-N 3.28Å; E1790-I1793 PolarHBondContact O-N 3.35Å; T1791-I1793 PolarHBondContact O-N 2.79Å; I1793-F1795 VanDerWaalsContact C-N 3.32Å; I1793-F1795 PolarHBondContact O-N 3.48Å; I1793-T1796 PolarHBondContact O-N 3.35Å; I1793-R1797 PolarHBondContact O-N 3.11Å |
| 1794 | R | 85.4 | Confident | 80.6 | Confident | 164 Ų | 164 | 85.4 Ų | 85.4 | 62% | 0.619 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.7 | -41.7 | 177.8 | -171.9 | 177 | 177.8 | -157.4 | -5.9 | 111.4 | D805 E1790 T1791 | D805-R1794 IonicContact OD1-CZ 2.68Å; D805-R1794 IonicContact OD1-NH1 3.47Å; D805-R1794 PolarHBondContact OD1-NH1 3.45Å; D805-R1794 IonicContact OD1-NH2 2.7Å; E1790-R1794 WeakPolarHBondContact O-CB 3.31Å; E1790-R1794 PolarHBondContact O-N 2.78Å; T1791-R1794 PolarHBondContact O-N 3.34Å |
| 1795 | F | 83.8 | Confident | 80.1 | Confident | 18 Ų | 18 | 88.6 Ų | 88.6 | 8% | 0.079 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -72 | -33.3 | -178.3 | -168.9 | -110.8 | 0 | 0 | 0 | 113.1 | F804 D807 R1755 V1756 L1785 T1791 L1792 I1793 | F804-F1795 HydrophobicContact CD1-CD2 4.06Å; F804-F1795 HydrophobicContact CD1-CE2 4.24Å; D807-F1795 HydrophobicContact CB-CE2 4.22Å; R1755-F1795 HydrophobicContact CB-CD1 3.96Å; R1755-F1795 HydrophobicContact CB-CE1 3.29Å; R1755-F1795 HydrophobicContact CB-CE2 4.38Å; R1755-F1795 HydrophobicContact CB-CZ 3.54Å; R1755-F1795 WeakPolarHBondContact CD-O 3.37Å; R1755-F1795 HydrophobicContact CG-CE1 4.46Å; R1755-F1795 HydrophobicContact CG-CZ 4.45Å; R1755-F1795 PolarHBondContact NH1-O 3.4Å; V1756-F1795 HydrophobicContact CG2-CD1 4.14Å; V1756-F1795 HydrophobicContact CG2-CE1 4.24Å; L1785-F1795 HydrophobicContact CD1-CB 3.81Å; L1785-F1795 HydrophobicContact CD1-CD1 4.04Å; L1785-F1795 HydrophobicContact CD1-CG 4.01Å; L1785-F1795 HydrophobicContact CD2-CD1 3.65Å; L1785-F1795 HydrophobicContact CD2-CE1 3.87Å; L1785-F1795 HydrophobicContact CD2-CG 4.42Å; T1791-F1795 WeakPolarHBondContact O-CB 3.32Å; T1791-F1795 PolarHBondContact O-N 3.35Å; L1792-F1795 PolarHBondContact O-N 3.04Å; I1793-F1795 VanDerWaalsContact C-N 3.32Å; I1793-F1795 PolarHBondContact O-N 3.48Å |
| 1796 | T | 86.7 | Confident | 79.5 | Confident | 5 Ų | 5 | 94.1 Ų | 94.1 | 3% | 0.031 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -98.1 | 4.8 | -174.2 | 58.8 | 0 | 0 | 0 | 0 | 114.4 | I1750 N1752 V1756 L1792 I1793 | I1750-T1796 HydrophobicContact CG2-CG2 3.44Å; I1750-T1796 VanDerWaalsContact CG2-CG2 3.44Å; N1752-T1796 VanDerWaalsContact CB-O 3.27Å; N1752-T1796 WeakPolarHBondContact CB-O 3.19Å; N1752-T1796 PolarHBondContact N-O 2.77Å; N1752-T1796 VanDerWaalsContact O-CB 3.22Å; N1752-T1796 WeakPolarHBondContact O-CB 3.22Å; N1752-T1796 WeakPolarHBondContact O-CG2 3.42Å; V1756-T1796 HydrophobicContact CG2-CG2 3.72Å; L1792-T1796 HydrophobicContact CD1-CG2 3.92Å; L1792-T1796 HydrophobicContact CG-CG2 4.44Å; L1792-T1796 WeakPolarHBondContact O-CB 3.48Å; L1792-T1796 VanDerWaalsContact O-CG2 3.26Å; L1792-T1796 WeakPolarHBondContact O-CG2 3.48Å; L1792-T1796 PolarHBondContact O-N 3.23Å; L1792-T1796 PolarHBondContact O-OG1 3Å; I1793-T1796 PolarHBondContact O-N 3.35Å |
| 1797 | R | 82.6 | Confident | 78.9 | Confident | 186 Ų | 186 | 97.4 Ų | 97.4 | 70% | 0.702 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 130.1 | 176.7 | -163.4 | 175.6 | -168 | 173.5 | 3 | 110.3 | I1793 K1799 | I1793-R1797 PolarHBondContact O-N 3.11Å; R1797-K1799 PolarHBondContact O-N 2.95Å |
| 1798 | P | 71.3 | Confident | 78.2 | Confident | 66 Ų | 66 | 90.4 Ų | 90.4 | 43% | 0.429 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -62 | 129.8 | 170.9 | 24.7 | -31 | 0 | 0 | 0 | 109.1 | V1800 | P1798-V1800 PolarHBondContact O-N 2.94Š|
| 1799 | K | 63.7 | Low | 77.4 | Confident | 91 Ų | 91 | 96.7 Ų | 96.7 | 40% | 0.396 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 116.5 | 166.8 | -77.2 | 175.2 | 167.8 | 163.4 | 0 | 105.8 | E809 E811 R1797 E1801 | E809-K1799 PolarHBondContact O-NZ 2.82Å; E809-K1799 VanDerWaalsContact O-NZ 3.14Å; E811-K1799 IonicContact OE1-NZ 3.54Å; E811-K1799 PolarHBondContact OE1-NZ 3.13Å; R1797-K1799 PolarHBondContact O-N 2.95Å; K1799-E1801 PolarHBondContact O-N 3.42Å |
| 1800 | V | 56.1 | Low | 76.6 | Confident | 138 Ų | 138 | 99.6 Ų | 99.6 | 84% | 0.836 | 47% | 0.469 | S | S | * | . | trans | -82.1 | 105.8 | 167.1 | -178.4 | 0 | 0 | 0 | 0 | 103.9 | P1798 | P1798-V1800 PolarHBondContact O-N 2.94Š| ||
| 1801 | E | 39 | Very low | 75.6 | Confident | 249 Ų | 249 | 95.4 Ų | 95.4 | 100% | 1.164 | 45% | 0.449 | S | S | * | . | trans | -75 | 0 | 169.8 | -70.2 | -168.4 | 167.3 | 0 | 0 | 110.9 | K1799 | K1799-E1801 PolarHBondContact O-N 3.42Š|
Retrieved 1,801 of 1,801 residues in 1396.9 ms
(Link to these results)