| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 45.4 | Very low | 53.4 | Low | 241 Ų | 241 | 141.3 Ų | 141.3 | 100% | 1.187 | 84% | 0.836 | S | S | * | * | 0 | 117.6 | 0 | -73.1 | 159.3 | 162.8 | 0 | 0 | 107.6 | |||||
| 2 | F | 44.6 | Very low | 54.1 | Low | 208 Ų | 208 | 142.1 Ų | 142.1 | 91% | 0.912 | 82% | 0.821 | S | S | * | * | trans | -110.1 | 134.3 | 170.4 | -76.6 | -79 | 0 | 0 | 0 | 108.3 | ||||
| 3 | P | 54.5 | Low | 56 | Low | 124 Ų | 124 | 135.2 Ų | 135.2 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 132.9 | 177.3 | 29.7 | -32.8 | 0 | 0 | 0 | 110.6 | ||
| 4 | S | 45.5 | Very low | 57.4 | Low | 111 Ų | 111 | 133.1 Ų | 133.1 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 141.9 | 175.5 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | ||
| 5 | P | 52.9 | Low | 58.6 | Low | 125 Ų | 125 | 135.4 Ų | 135.4 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 136.3 | 173.5 | 27.9 | -33.7 | 0 | 0 | 0 | 110.6 | ||
| 6 | A | 49.3 | Very low | 59.9 | Low | 95 Ų | 95 | 132 Ų | 132 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 145.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T8 | A6-T8 PolarHBondContact O-N 3.19Å; A6-T8 VanDerWaalsContact O-N 3.13Å |
| 7 | L | 53.2 | Low | 61.1 | Low | 172 Ų | 172 | 130.2 Ų | 130.2 | 90% | 0.901 | 74% | 0.738 | S | S | * | * | trans | -59.2 | 113.3 | 173.5 | -71.2 | 159.6 | 0 | 0 | 0 | 110 | P9 | L7-P9 WeakPolarHBondContact O-CD 3.5Š| ||
| 8 | T | 54.2 | Low | 62.1 | Low | 127 Ų | 127 | 128.8 Ų | 128.8 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 120.9 | 166.2 | 51.4 | 0 | 0 | 0 | 0 | 108.7 | A6 T10 | A6-T8 PolarHBondContact O-N 3.19Å; A6-T8 VanDerWaalsContact O-N 3.13Å; T8-T10 PolarHBondContact O-N 2.92Å |
| 9 | P | 56.3 | Low | 63.1 | Low | 119 Ų | 119 | 127.6 Ų | 127.6 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 124.3 | -178.5 | 25.2 | -32.8 | 0 | 0 | 0 | 110 | L7 | L7-P9 WeakPolarHBondContact O-CD 3.5Š|
| 10 | T | 61.8 | Low | 63.9 | Low | 117 Ų | 117 | 126.1 Ų | 126.1 | 72% | 0.718 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 123.1 | 169.6 | 47.8 | 0 | 0 | 0 | 0 | 108.3 | T8 F12 | T8-T10 PolarHBondContact O-N 2.92Å; T10-F12 PolarHBondContact O-N 3.1Å |
| 11 | P | 69.4 | Low | 64.7 | Low | 115 Ų | 115 | 124.3 Ų | 124.3 | 75% | 0.747 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -70.8 | -1.9 | -162.8 | 25.9 | -35.6 | 0 | 0 | 0 | 115.7 | ||
| 12 | F | 62.1 | Low | 66.5 | Low | 151 Ų | 151 | 118.3 Ų | 118.3 | 66% | 0.662 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -141.1 | 126.9 | 172.4 | -71 | -82.2 | 0 | 0 | 0 | 109.8 | T10 D16 | T10-F12 PolarHBondContact O-N 3.1Å; F12-D16 HydrophobicContact CD1-CB 4.46Å |
| 13 | S | 78.4 | Confident | 68.2 | Low | 53 Ų | 53 | 113.6 Ų | 113.6 | 37% | 0.371 | 65% | 0.645 | S | S | . | * | trans | -76.4 | 152.2 | 169.1 | -174 | 0 | 0 | 0 | 0 | 110.3 | K15 D16 I17 | S13-K15 PolarHBondContact O-N 3.27Å; S13-K15 VanDerWaalsContact O-N 3.17Å; S13-K15 PolarHBondContact OG-N 3.07Å; S13-D16 WeakPolarHBondContact CA-OD2 3.07Å; S13-D16 WeakPolarHBondContact CB-OD2 3.38Å; S13-D16 PolarHBondContact N-OD2 3.25Å; S13-D16 WeakPolarHBondContact O-CB 3.47Å; S13-D16 PolarHBondContact O-N 3.48Å; S13-I17 PolarHBondContact O-N 3.03Å | ||
| 14 | V | 76.2 | Confident | 69.3 | Low | 106 Ų | 106 | 113.6 Ų | 113.6 | 64% | 0.642 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -56.8 | -30.3 | 169.3 | 179.3 | 0 | 0 | 0 | 0 | 110.9 | I17 L18 | V14-I17 PolarHBondContact O-N 3.03Å; V14-L18 HydrophobicContact CG1-CD1 4.16Å; V14-L18 WeakPolarHBondContact O-CG 3.37Å; V14-L18 PolarHBondContact O-N 2.96Å; V14-L18 VanDerWaalsContact O-N 3.13Å |
| 15 | K | 75.6 | Confident | 70.8 | Confident | 167 Ų | 167 | 115.1 Ų | 115.1 | 73% | 0.726 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.3 | -39.2 | 173.6 | -66.1 | -176 | 177.1 | -177.2 | 0 | 112.5 | S13 L18 N19 | S13-K15 PolarHBondContact O-N 3.27Å; S13-K15 VanDerWaalsContact O-N 3.17Å; S13-K15 PolarHBondContact OG-N 3.07Å; K15-L18 PolarHBondContact O-N 3.25Å; K15-N19 VanDerWaalsContact O-CB 3.27Å; K15-N19 WeakPolarHBondContact O-CB 3.41Å; K15-N19 PolarHBondContact O-N 2.89Å |
| 16 | D | 78.9 | Confident | 71.7 | Confident | 81 Ų | 81 | 112.3 Ų | 112.3 | 43% | 0.433 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -69.5 | -39.1 | -179.3 | -50.8 | -36.5 | 0 | 0 | 0 | 110.8 | F12 S13 N19 L20 | F12-D16 HydrophobicContact CD1-CB 4.46Å; S13-D16 WeakPolarHBondContact CA-OD2 3.07Å; S13-D16 WeakPolarHBondContact CB-OD2 3.38Å; S13-D16 PolarHBondContact N-OD2 3.25Å; S13-D16 WeakPolarHBondContact O-CB 3.47Å; S13-D16 PolarHBondContact O-N 3.48Å; D16-N19 PolarHBondContact O-N 3.3Å; D16-L20 VanDerWaalsContact O-CB 3.28Å; D16-L20 WeakPolarHBondContact O-CB 3.46Å; D16-L20 PolarHBondContact O-N 3.44Å |
| 17 | I | 80.1 | Confident | 72.7 | Confident | 102 Ų | 102 | 113.2 Ų | 113.2 | 52% | 0.523 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63 | -47.2 | 176.7 | -60.1 | 171.3 | 0 | 0 | 0 | 110.6 | S13 V14 L20 E21 | S13-I17 PolarHBondContact O-N 3.03Å; V14-I17 PolarHBondContact O-N 3.03Å; I17-L20 PolarHBondContact O-N 3.35Å; I17-E21 PolarHBondContact O-N 2.99Å |
| 18 | L | 80.1 | Confident | 73.5 | Confident | 105 Ų | 105 | 108.1 Ų | 108.1 | 55% | 0.55 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.8 | -38.5 | 178.3 | -68.7 | 172.3 | 0 | 0 | 0 | 112.2 | V14 K15 E21 Q22 | V14-L18 HydrophobicContact CG1-CD1 4.16Å; V14-L18 WeakPolarHBondContact O-CG 3.37Å; V14-L18 PolarHBondContact O-N 2.96Å; V14-L18 VanDerWaalsContact O-N 3.13Å; K15-L18 PolarHBondContact O-N 3.25Å; L18-E21 PolarHBondContact O-N 3.18Å; L18-Q22 WeakPolarHBondContact O-CB 3.5Å; L18-Q22 PolarHBondContact O-N 2.85Å |
| 19 | N | 80.8 | Confident | 74.2 | Confident | 106 Ų | 106 | 104.4 Ų | 104.4 | 57% | 0.567 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.7 | -38.4 | 176.9 | -161.5 | 16.3 | 0 | 0 | 0 | 111.6 | K15 D16 Q22 Q23 | K15-N19 VanDerWaalsContact O-CB 3.27Å; K15-N19 WeakPolarHBondContact O-CB 3.41Å; K15-N19 PolarHBondContact O-N 2.89Å; D16-N19 PolarHBondContact O-N 3.3Å; N19-Q22 PolarHBondContact O-N 3.04Å; N19-Q23 WeakPolarHBondContact O-CB 3.39Å; N19-Q23 PolarHBondContact O-N 3.23Å |
| 20 | L | 79.6 | Confident | 74.8 | Confident | 96 Ų | 96 | 101.2 Ų | 101.2 | 50% | 0.503 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.3 | -37.3 | 175.3 | -166.7 | 68.9 | 0 | 0 | 0 | 112.1 | D16 I17 Q23 Q24 | D16-L20 VanDerWaalsContact O-CB 3.28Å; D16-L20 WeakPolarHBondContact O-CB 3.46Å; D16-L20 PolarHBondContact O-N 3.44Å; I17-L20 PolarHBondContact O-N 3.35Å; L20-Q23 PolarHBondContact O-N 2.53Å; L20-Q24 VanDerWaalsContact O-CG 3.31Å; L20-Q24 WeakPolarHBondContact O-CG 3.37Å; L20-Q24 PolarHBondContact O-N 3.17Å |
| 21 | E | 79.1 | Confident | 75 | Confident | 89 Ų | 89 | 97.6 Ų | 97.6 | 42% | 0.416 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 171.7 | -171 | 178.8 | 103.6 | 0 | 0 | 111.7 | I17 L18 Q23 Q24 R25 | I17-E21 PolarHBondContact O-N 2.99Å; L18-E21 PolarHBondContact O-N 3.18Å; E21-Q23 PolarHBondContact O-N 2.78Å; E21-Q24 PolarHBondContact O-N 3.38Å; E21-R25 PolarHBondContact O-N 2.99Å; E21-R25 IonicContact OE1-CZ 3.09Å; E21-R25 IonicContact OE1-NH1 2.7Å; E21-R25 PolarHBondContact OE1-NH1 3.25Å; E21-R25 IonicContact OE1-NH2 3.92Å; E21-R25 PolarHBondContact OE1-NH2 3.33Å |
| 22 | Q | 84.7 | Confident | 74.5 | Confident | 115 Ų | 115 | 98.9 Ų | 98.9 | 54% | 0.537 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 176 | -170 | 64.9 | 16.4 | 0 | 0 | 112.1 | L18 N19 R25 S26 | L18-Q22 WeakPolarHBondContact O-CB 3.5Å; L18-Q22 PolarHBondContact O-N 2.85Å; N19-Q22 PolarHBondContact O-N 3.04Å; Q22-R25 PolarHBondContact O-N 3.05Å; Q22-S26 PolarHBondContact O-N 3.06Å |
| 23 | Q | 79.6 | Confident | 74.4 | Confident | 110 Ų | 110 | 97.4 Ų | 97.4 | 51% | 0.514 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.8 | -34.1 | 176 | -170.9 | 177.2 | -0.5 | 0 | 0 | 112.5 | N19 L20 E21 S26 L27 | N19-Q23 WeakPolarHBondContact O-CB 3.39Å; N19-Q23 PolarHBondContact O-N 3.23Å; L20-Q23 PolarHBondContact O-N 2.53Å; E21-Q23 PolarHBondContact O-N 2.78Å; Q23-S26 PolarHBondContact O-OG 2.93Å; Q23-L27 WeakPolarHBondContact O-CG 3.47Å; Q23-L27 PolarHBondContact O-N 3.18Å; Q23-L27 VanDerWaalsContact O-N 3.13Å |
| 24 | Q | 78 | Confident | 73.4 | Confident | 124 Ų | 124 | 98.1 Ų | 98.1 | 58% | 0.579 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.6 | -37.8 | 171.5 | -73.3 | 174.2 | 29.6 | 0 | 0 | 111.8 | L20 E21 A28 | L20-Q24 VanDerWaalsContact O-CG 3.31Å; L20-Q24 WeakPolarHBondContact O-CG 3.37Å; L20-Q24 PolarHBondContact O-N 3.17Å; E21-Q24 PolarHBondContact O-N 3.38Å; Q24-A28 WeakPolarHBondContact O-CB 3.45Å; Q24-A28 PolarHBondContact O-N 3.49Å |
| 25 | R | 75.8 | Confident | 72.5 | Confident | 143 Ų | 143 | 96.1 Ų | 96.1 | 54% | 0.54 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 173.5 | -75.2 | -170.3 | -179.6 | 107.5 | 12.5 | 112.9 | E21 Q22 A28 A29 | E21-R25 PolarHBondContact O-N 2.99Å; E21-R25 IonicContact OE1-CZ 3.09Å; E21-R25 IonicContact OE1-NH1 2.7Å; E21-R25 PolarHBondContact OE1-NH1 3.25Å; E21-R25 IonicContact OE1-NH2 3.92Å; E21-R25 PolarHBondContact OE1-NH2 3.33Å; Q22-R25 PolarHBondContact O-N 3.05Å; R25-A28 PolarHBondContact O-N 3.4Å; R25-A29 PolarHBondContact O-N 3.25Å |
| 26 | S | 73.5 | Confident | 71.6 | Confident | 66 Ų | 66 | 97.2 Ų | 97.2 | 46% | 0.462 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.3 | -39 | 178.4 | 64.1 | 0 | 0 | 0 | 0 | 112.4 | Q22 Q23 A29 A30 | Q22-S26 PolarHBondContact O-N 3.06Å; Q23-S26 PolarHBondContact O-OG 2.93Å; S26-A29 PolarHBondContact O-N 3.43Å; S26-A30 WeakPolarHBondContact O-CB 3.09Å; S26-A30 PolarHBondContact O-N 3.46Å |
| 27 | L | 69.9 | Low | 70.6 | Confident | 114 Ų | 114 | 99 Ų | 99 | 60% | 0.597 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.8 | -37.7 | 172.8 | -74.9 | 168.6 | 0 | 0 | 0 | 112.5 | Q23 A30 G31 | Q23-L27 WeakPolarHBondContact O-CG 3.47Å; Q23-L27 PolarHBondContact O-N 3.18Å; Q23-L27 VanDerWaalsContact O-N 3.13Å; L27-A30 PolarHBondContact O-N 3.13Å; L27-G31 PolarHBondContact O-N 3.05Å |
| 28 | A | 69.5 | Low | 69.4 | Low | 64 Ų | 64 | 101 Ų | 101 | 53% | 0.529 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.8 | -46.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q24 R25 A30 G31 E32 | Q24-A28 WeakPolarHBondContact O-CB 3.45Å; Q24-A28 PolarHBondContact O-N 3.49Å; R25-A28 PolarHBondContact O-N 3.4Å; A28-A30 PolarHBondContact O-N 2.88Å; A28-G31 PolarHBondContact O-N 3.38Å; A28-E32 PolarHBondContact O-N 2.87Å |
| 29 | A | 69.4 | Low | 68.2 | Low | 49 Ų | 49 | 99.7 Ų | 99.7 | 41% | 0.405 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.2 | -38.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R25 S26 E32 L33 | R25-A29 PolarHBondContact O-N 3.25Å; S26-A29 PolarHBondContact O-N 3.43Å; A29-E32 PolarHBondContact O-N 2.9Å; A29-L33 WeakPolarHBondContact O-CG 3.48Å; A29-L33 PolarHBondContact O-N 3.07Å; A29-L33 VanDerWaalsContact O-N 3.09Å |
| 30 | A | 68 | Low | 67 | Low | 52 Ų | 52 | 99.9 Ų | 99.9 | 43% | 0.43 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.8 | -40.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S26 L27 A28 E32 L33 S34 | S26-A30 WeakPolarHBondContact O-CB 3.09Å; S26-A30 PolarHBondContact O-N 3.46Å; L27-A30 PolarHBondContact O-N 3.13Å; A28-A30 PolarHBondContact O-N 2.88Å; A30-E32 VanDerWaalsContact C-N 3.32Å; A30-E32 PolarHBondContact O-N 3.31Å; A30-L33 PolarHBondContact O-N 2.93Å; A30-S34 PolarHBondContact O-N 2.93Å |
| 31 | G | 65.9 | Low | 65.7 | Low | 42 Ų | 42 | 101.9 Ų | 101.9 | 43% | 0.433 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.1 | -36.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L27 A28 S34 A35 | L27-G31 PolarHBondContact O-N 3.05Å; A28-G31 PolarHBondContact O-N 3.38Å; G31-S34 PolarHBondContact O-N 3.03Å; G31-A35 WeakPolarHBondContact O-CB 3.28Å; G31-A35 PolarHBondContact O-N 2.92Å |
| 32 | E | 59.9 | Low | 64.2 | Low | 142 Ų | 142 | 101 Ų | 101 | 66% | 0.664 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.3 | -37.2 | 176.4 | -141.6 | 171.5 | -163.3 | 0 | 0 | 112.3 | A28 A29 A30 R36 | A28-E32 PolarHBondContact O-N 2.87Å; A29-E32 PolarHBondContact O-N 2.9Å; A30-E32 VanDerWaalsContact C-N 3.32Å; A30-E32 PolarHBondContact O-N 3.31Å; E32-R36 VanDerWaalsContact O-CG 3.3Å; E32-R36 WeakPolarHBondContact O-CG 3.49Å; E32-R36 PolarHBondContact O-N 3.44Å |
| 33 | L | 59 | Low | 62.3 | Low | 120 Ų | 120 | 101.3 Ų | 101.3 | 63% | 0.628 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.9 | -40.8 | 172.4 | -69.8 | 171.8 | 0 | 0 | 0 | 112.1 | A29 A30 R36 L37 | A29-L33 WeakPolarHBondContact O-CG 3.48Å; A29-L33 PolarHBondContact O-N 3.07Å; A29-L33 VanDerWaalsContact O-N 3.09Å; A30-L33 PolarHBondContact O-N 2.93Å; L33-R36 PolarHBondContact O-N 2.9Å; L33-L37 PolarHBondContact O-N 3.07Å |
| 34 | S | 58.4 | Low | 60.6 | Low | 67 Ų | 67 | 101.9 Ų | 101.9 | 47% | 0.469 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -60.8 | -47.2 | 175.6 | -161.2 | 0 | 0 | 0 | 0 | 111.5 | A30 G31 R36 L37 E38 | A30-S34 PolarHBondContact O-N 2.93Å; G31-S34 PolarHBondContact O-N 3.03Å; S34-R36 PolarHBondContact O-N 2.77Å; S34-L37 PolarHBondContact O-N 3.2Å; S34-L37 VanDerWaalsContact O-N 3.11Å; S34-E38 PolarHBondContact O-N 2.61Å |
| 35 | A | 57.2 | Low | 59.3 | Low | 65 Ų | 65 | 101.6 Ų | 101.6 | 54% | 0.537 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -62.2 | -30.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | G31 A39 | G31-A35 WeakPolarHBondContact O-CB 3.28Å; G31-A35 PolarHBondContact O-N 2.92Å; A35-A39 PolarHBondContact O-N 2.8Å |
| 36 | R | 56.8 | Low | 57.7 | Low | 190 Ų | 190 | 100.4 Ų | 100.4 | 72% | 0.717 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -76.7 | -31.3 | 174.7 | -70.1 | -179.6 | 79.2 | 166.5 | 5.6 | 112.9 | E32 L33 S34 T40 | E32-R36 VanDerWaalsContact O-CG 3.3Å; E32-R36 WeakPolarHBondContact O-CG 3.49Å; E32-R36 PolarHBondContact O-N 3.44Å; L33-R36 PolarHBondContact O-N 2.9Å; S34-R36 PolarHBondContact O-N 2.77Å; R36-T40 PolarHBondContact O-OG1 2.86Å |
| 37 | L | 57.6 | Low | 56.7 | Low | 117 Ų | 117 | 105.7 Ų | 105.7 | 61% | 0.613 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -72.7 | -40.9 | 175.3 | -134.1 | 88.5 | 0 | 0 | 0 | 112 | L33 S34 A39 T40 | L33-L37 PolarHBondContact O-N 3.07Å; S34-L37 PolarHBondContact O-N 3.2Å; S34-L37 VanDerWaalsContact O-N 3.11Å; L37-A39 VanDerWaalsContact C-N 3.29Å; L37-A39 PolarHBondContact O-N 3.07Å; L37-T40 WeakPolarHBondContact CA-OG1 3.31Å; L37-T40 PolarHBondContact O-N 2.84Å; L37-T40 VanDerWaalsContact O-N 3.11Å; L37-T40 PolarHBondContact O-OG1 3.08Å |
| 38 | E | 54.1 | Low | 55.7 | Low | 144 Ų | 144 | 108.8 Ų | 108.8 | 67% | 0.673 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -59.6 | -41.4 | 177.3 | -153 | 99.5 | -149.9 | 0 | 0 | 111 | S34 T40 L41 | S34-E38 PolarHBondContact O-N 2.61Å; E38-T40 PolarHBondContact O-N 3.01Å; E38-L41 PolarHBondContact O-N 3.05Å |
| 39 | A | 55.7 | Low | 54.2 | Low | 78 Ų | 78 | 110.5 Ų | 110.5 | 65% | 0.645 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -21.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | A35 L37 | A35-A39 PolarHBondContact O-N 2.8Å; L37-A39 VanDerWaalsContact C-N 3.29Å; L37-A39 PolarHBondContact O-N 3.07Å |
| 40 | T | 56.3 | Low | 52.9 | Low | 110 Ų | 110 | 114.4 Ų | 114.4 | 68% | 0.675 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -7.5 | 175.7 | 34 | 0 | 0 | 0 | 0 | 114.8 | R36 L37 E38 | R36-T40 PolarHBondContact O-OG1 2.86Å; L37-T40 WeakPolarHBondContact CA-OG1 3.31Å; L37-T40 PolarHBondContact O-N 2.84Å; L37-T40 VanDerWaalsContact O-N 3.11Å; L37-T40 PolarHBondContact O-OG1 3.08Å; E38-T40 PolarHBondContact O-N 3.01Å |
| 41 | L | 50.8 | Low | 51.4 | Low | 138 Ų | 138 | 122.1 Ų | 122.1 | 72% | 0.723 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.8 | -0.3 | -176.2 | -72.7 | 168.3 | 0 | 0 | 0 | 114.3 | E38 P43 | E38-L41 PolarHBondContact O-N 3.05Å; L41-P43 WeakPolarHBondContact O-CD 3.32Å |
| 42 | A | 47.8 | Very low | 51.1 | Low | 70 Ų | 70 | 127.5 Ų | 127.5 | 58% | 0.579 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -78.1 | 119.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | S44 | A42-S44 PolarHBondContact O-N 3.31Š|
| 43 | P | 44.1 | Very low | 50.6 | Low | 123 Ų | 123 | 126.6 Ų | 126.6 | 80% | 0.799 | 73% | 0.732 | S | S | * | * | trans | -76.6 | 115.5 | 178.4 | 29.7 | -32.9 | 0 | 0 | 0 | 111.4 | L41 S45 | L41-P43 WeakPolarHBondContact O-CD 3.32Å; P43-S45 PolarHBondContact O-N 3.08Å | ||
| 44 | S | 44.2 | Very low | 49.5 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | trans | -65.1 | 94.4 | 176.1 | -53.9 | 0 | 0 | 0 | 0 | 112.2 | A42 C46 | A42-S44 PolarHBondContact O-N 3.31Å; S44-C46 PolarHBondContact O-N 3.42Å | ||
| 45 | S | 50.4 | Low | 48.7 | Very low | 118 Ų | 118 | 129 Ų | 129 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | trans | -96.9 | 86.4 | 180 | -169.4 | 0 | 0 | 0 | 0 | 112.6 | P43 | P43-S45 PolarHBondContact O-N 3.08Š| ||
| 46 | C | 43.3 | Very low | 47.5 | Very low | 117 Ų | 117 | 137 Ų | 137 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | -170.8 | 53.8 | 164.9 | 51.2 | 0 | 0 | 0 | 0 | 114.7 | S44 | S44-C46 PolarHBondContact O-N 3.42Š| ||
| 47 | M | 51.9 | Low | 46.4 | Very low | 178 Ų | 178 | 131.7 Ų | 131.7 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | trans | -138.7 | 65.8 | 176.8 | -84.6 | -69.2 | -76.8 | 0 | 0 | 113.8 | ||||
| 48 | L | 50 | Low | 45.2 | Very low | 179 Ų | 179 | 129.5 Ų | 129.5 | 94% | 0.937 | 77% | 0.769 | S | S | * | * | trans | -154.9 | 118.8 | 159.5 | -80.3 | -172.8 | 0 | 0 | 0 | 111.6 | ||||
| 49 | A | 38.4 | Very low | 45.3 | Very low | 100 Ų | 100 | 128.4 Ų | 128.4 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | trans | 161 | 84 | 134.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 50 | T | 40.2 | Very low | 44.1 | Very low | 130 Ų | 130 | 133.5 Ų | 133.5 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | trans | -93.1 | 120.4 | 163.6 | 47.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 51 | F | 37.9 | Very low | 43.1 | Very low | 214 Ų | 214 | 132.5 Ų | 132.5 | 94% | 0.939 | 79% | 0.788 | S | S | * | * | trans | -138.4 | 124 | 157.9 | -86 | -74.4 | 0 | 0 | 0 | 111.6 | ||||
| 52 | K | 59.1 | Low | 42.4 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | trans | -91.1 | 159.1 | 174.2 | -152.7 | -171 | -177.5 | -165.4 | 0 | 108 | E54 | K52-E54 WeakPolarHBondContact CE-OE2 3.42Å; K52-E54 IonicContact NZ-OE2 2.65Å; K52-E54 PolarHBondContact NZ-OE2 3.27Å | ||
| 53 | P | 48.5 | Very low | 41.8 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | -144.2 | 166.4 | 101 | 31.3 | -13.2 | 0 | 0 | 0 | 115.8 | |||||
| 54 | E | 37.4 | Very low | 42.1 | Very low | 145 Ų | 145 | 132.3 Ų | 132.3 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | trans | -65.1 | 138.7 | 169.5 | -84.9 | 137.5 | 92.5 | 0 | 0 | 112 | K52 | K52-E54 WeakPolarHBondContact CE-OE2 3.42Å; K52-E54 IonicContact NZ-OE2 2.65Å; K52-E54 PolarHBondContact NZ-OE2 3.27Å | ||
| 55 | A | 40.8 | Very low | 41.5 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | 80.3 | 115.6 | 64.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 56 | Y | 32.2 | Very low | 40.8 | Very low | 232 Ų | 232 | 132.5 Ų | 132.5 | 91% | 0.91 | 81% | 0.805 | S | S | * | * | -174.5 | 154.2 | 129.1 | -151.7 | -114.7 | 0 | 0 | 0 | 113.6 | |||||
| 57 | A | 34.7 | Very low | 41.1 | Very low | 80 Ų | 80 | 132.9 Ų | 132.9 | 66% | 0.661 | 81% | 0.806 | S | S | * | * | trans | 57.5 | 120.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 58 | G | 31.3 | Very low | 40.3 | Very low | 71 Ų | 71 | 132.2 Ų | 132.2 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | trans | -93.8 | -158.4 | 137 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 59 | P | 57.3 | Low | 39.6 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | cis | -139 | -173.1 | 18.5 | 43.3 | -24.9 | 0 | 0 | 0 | 116.3 | ||||
| 60 | E | 30.6 | Very low | 39.6 | Very low | 185 Ų | 185 | 136.9 Ų | 136.9 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | 69.8 | 112.3 | 146.3 | -158.5 | -178.9 | 161.7 | 0 | 0 | 121.1 | ||||
| 61 | A | 34.4 | Very low | 39.4 | Very low | 89 Ų | 89 | 134.9 Ų | 134.9 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | 173.2 | 136.3 | 107.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 62 | A | 35.2 | Very low | 39.2 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | 42.3 | 119.8 | 149.3 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 63 | A | 35.8 | Very low | 38.1 | Very low | 91 Ų | 91 | 132.9 Ų | 132.9 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | -81.4 | -174.6 | 144.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 64 | P | 51.4 | Low | 37.3 | Very low | 132 Ų | 132 | 130.5 Ų | 130.5 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | cis | -132.4 | -176.3 | -4.6 | 41.7 | -24.6 | 0 | 0 | 0 | 114.2 | ||||
| 65 | G | 30.5 | Very low | 38 | Very low | 78 Ų | 78 | 129.7 Ų | 129.7 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 173 | 95.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 66 | L | 37 | Very low | 37.8 | Very low | 167 Ų | 167 | 129.8 Ų | 129.8 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -78.3 | 158.7 | 148.3 | -89.9 | 165.2 | 0 | 0 | 0 | 108 | ||||
| 67 | P | 49.3 | Very low | 38.7 | Very low | 125 Ų | 125 | 124.7 Ų | 124.7 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | cis | -150.2 | -167.8 | 47.1 | 43.4 | -21.5 | 0 | 0 | 0 | 118 | ||||
| 68 | E | 35.3 | Very low | 39.2 | Very low | 163 Ų | 163 | 126.3 Ų | 126.3 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | -59.5 | 169.3 | -177.2 | -121.8 | 167.7 | 91.5 | 0 | 0 | 119.4 | ||||
| 69 | L | 35.4 | Very low | 40.1 | Very low | 144 Ų | 144 | 128.5 Ų | 128.5 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | trans | 88.1 | 114.4 | 145.8 | -80.1 | 159.2 | 0 | 0 | 0 | 122.5 | ||||
| 70 | R | 37 | Very low | 39.2 | Very low | 234 Ų | 234 | 127 Ų | 127 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | 99.4 | 143 | 124.3 | -173 | 175.7 | 177.7 | 165.2 | 1.3 | 120.1 | |||||
| 71 | A | 36.5 | Very low | 39.4 | Very low | 87 Ų | 87 | 127.9 Ų | 127.9 | 72% | 0.719 | 80% | 0.8 | S | S | * | * | trans | 80.7 | 144.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 72 | E | 34.4 | Very low | 39.1 | Very low | 165 Ų | 165 | 129.7 Ų | 129.7 | 77% | 0.771 | 81% | 0.805 | S | S | * | * | cis | 166.3 | 159.1 | -24.9 | -109.9 | -65.7 | 156 | 0 | 0 | 105.7 | ||||
| 73 | L | 35.2 | Very low | 39.1 | Very low | 163 Ų | 163 | 129.2 Ų | 129.2 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | 78 | 135.7 | 175.1 | -49.9 | 174.6 | 0 | 0 | 0 | 119.5 | ||||
| 74 | G | 31.3 | Very low | 39.1 | Very low | 74 Ų | 74 | 130.8 Ų | 130.8 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | trans | -97.1 | -146.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 75 | P | 53.5 | Low | 38.5 | Very low | 127 Ų | 127 | 129.1 Ų | 129.1 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | cis | -141.9 | 172 | 34.1 | 42.1 | -23.4 | 0 | 0 | 0 | 118.7 | ||||
| 76 | A | 36.6 | Very low | 39 | Very low | 94 Ų | 94 | 135 Ų | 135 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | trans | 33.8 | 151.6 | 142.6 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 77 | P | 51.1 | Low | 39.7 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | cis | -144.3 | 170.8 | 32.2 | 40.6 | -19.5 | 0 | 0 | 0 | 120.7 | ||||
| 78 | S | 44.3 | Very low | 39.2 | Very low | 115 Ų | 115 | 132 Ų | 132 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -23.4 | 170.4 | 164 | -118.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 79 | P | 50.3 | Low | 39.5 | Very low | 117 Ų | 117 | 128.8 Ų | 128.8 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | cis | -124 | -161.2 | -1.1 | 43 | -26.6 | 0 | 0 | 0 | 111.8 | ||||
| 80 | A | 38.3 | Very low | 40.2 | Very low | 90 Ų | 90 | 127.8 Ų | 127.8 | 74% | 0.744 | 81% | 0.811 | S | S | * | * | cis | -148.7 | -174.1 | 3.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 81 | K | 35.1 | Very low | 40.2 | Very low | 202 Ų | 202 | 120.8 Ų | 120.8 | 88% | 0.878 | 80% | 0.803 | S | S | * | * | trans | -155.2 | 156.3 | 178.1 | -62.9 | 177.9 | -178.6 | 173.5 | 0 | 113.4 | ||||
| 82 | C | 27.3 | Very low | 40.4 | Very low | 127 Ų | 127 | 126.4 Ų | 126.4 | 86% | 0.858 | 81% | 0.812 | S | S | * | * | trans | -144.4 | 117.6 | 141.7 | -76.8 | 0 | 0 | 0 | 0 | 106 | ||||
| 83 | A | 36.1 | Very low | 40.5 | Very low | 94 Ų | 94 | 129 Ų | 129 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | 68 | 131.3 | 62.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 84 | S | 36 | Very low | 41.6 | Very low | 123 Ų | 123 | 126.2 Ų | 126.2 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | cis | -165.5 | 175.4 | -9.8 | 48.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 85 | A | 38.4 | Very low | 41.7 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -54.3 | 166.5 | -168.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 86 | F | 41.1 | Very low | 40.9 | Very low | 201 Ų | 201 | 130.6 Ų | 130.6 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | trans | -53.6 | 162 | 165 | -84.5 | -93.5 | 0 | 0 | 0 | 114.6 | ||||
| 87 | P | 51.5 | Low | 40.8 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | -140.6 | -174.9 | 109.6 | 36.2 | -20.9 | 0 | 0 | 0 | 115.3 | |||||
| 88 | A | 37.9 | Very low | 40.6 | Very low | 101 Ų | 101 | 134.9 Ų | 134.9 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | -94.6 | 178.6 | -165.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 89 | A | 42 | Very low | 40.5 | Very low | 96 Ų | 96 | 135.1 Ų | 135.1 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | trans | -66.5 | 166.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 90 | P | 50 | Low | 40.6 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | -145.4 | 159.7 | 114.7 | 38.2 | -24.1 | 0 | 0 | 0 | 117.4 | |||||
| 91 | A | 37.8 | Very low | 40.7 | Very low | 87 Ų | 87 | 137.2 Ų | 137.2 | 72% | 0.719 | 79% | 0.788 | S | S | * | * | trans | 37.9 | 129 | 147.1 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 92 | F | 39.6 | Very low | 41.4 | Very low | 204 Ų | 204 | 133 Ų | 133 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | -175.2 | 153.1 | 102.8 | -127.8 | -107.7 | 0 | 0 | 0 | 113.4 | |||||
| 93 | Y | 37.5 | Very low | 42.4 | Very low | 220 Ų | 220 | 130.6 Ų | 130.6 | 86% | 0.863 | 77% | 0.771 | S | S | * | * | trans | -108.7 | -162.2 | 179.7 | -95.8 | -86.8 | 0 | 0 | 0 | 110 | ||||
| 94 | P | 57.4 | Low | 42.6 | Very low | 105 Ų | 105 | 136 Ų | 136 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | cis | -131.5 | 169.7 | -48 | 36.1 | -21.4 | 0 | 0 | 0 | 113.8 | ||||
| 95 | R | 33.4 | Very low | 43.3 | Very low | 226 Ų | 226 | 137.1 Ų | 137.1 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | 163.1 | 171.3 | 140.6 | -103 | -69.3 | -171.9 | 175.9 | -3.7 | 113.2 | ||||
| 96 | A | 36.8 | Very low | 43.7 | Very low | 67 Ų | 67 | 138.3 Ų | 138.3 | 55% | 0.554 | 77% | 0.772 | S | S | * | * | -160.2 | 166.6 | -102.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 97 | Y | 35.4 | Very low | 43.9 | Very low | 202 Ų | 202 | 140.1 Ų | 140.1 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | trans | 63.7 | 139.1 | 165.3 | -101.8 | -105.6 | 0 | 0 | 0 | 116.7 | ||||
| 98 | S | 45.6 | Very low | 43.9 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | cis | -146.2 | 155.3 | 34.6 | -57.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 99 | D | 42.9 | Very low | 44.3 | Very low | 119 Ų | 119 | 141.8 Ų | 141.8 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | trans | -51 | 158.9 | 155.7 | -112.4 | -75.2 | 0 | 0 | 0 | 112.9 | D101 | D99-D101 PolarHBondContact OD1-N 2.96Š| ||
| 100 | P | 53.3 | Low | 44.3 | Very low | 121 Ų | 121 | 147 Ų | 147 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | -144.7 | 143.4 | 62.3 | 37.2 | -17.5 | 0 | 0 | 0 | 118.9 | |||||
| 101 | D | 40.5 | Very low | 44.1 | Very low | 131 Ų | 131 | 149.1 Ų | 149.1 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | -74.5 | 141.4 | 143.8 | -166.3 | 28.8 | 0 | 0 | 0 | 109 | D99 A103 | D99-D101 PolarHBondContact OD1-N 2.96Å; D101-A103 PolarHBondContact OD1-N 3.42Å | ||
| 102 | P | 48.2 | Very low | 44.6 | Very low | 114 Ų | 114 | 151.4 Ų | 151.4 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | -143.7 | 131.2 | 81.6 | 32.5 | -12.1 | 0 | 0 | 0 | 116.4 | |||||
| 103 | A | 48.1 | Very low | 44.9 | Very low | 76 Ų | 76 | 150.2 Ų | 150.2 | 63% | 0.628 | 77% | 0.765 | S | S | * | * | trans | 59.4 | 113.7 | 139.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | D101 | D101-A103 PolarHBondContact OD1-N 3.42Š| ||
| 104 | K | 41 | Very low | 45.2 | Very low | 208 Ų | 208 | 145.2 Ų | 145.2 | 90% | 0.904 | 76% | 0.76 | S | S | * | * | trans | -170.9 | 139.9 | 131.9 | -103.2 | 152.3 | -171.9 | 175.6 | 0 | 112.5 | P106 | K104-P106 WeakPolarHBondContact O-CD 3.49Š| ||
| 105 | D | 49.9 | Very low | 44.8 | Very low | 146 Ų | 146 | 142.9 Ų | 142.9 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | trans | -59 | 136.2 | 173.7 | -83.6 | -80.7 | 0 | 0 | 0 | 113.8 | ||||
| 106 | P | 47.6 | Very low | 45.4 | Very low | 123 Ų | 123 | 139 Ų | 139 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | trans | -109.5 | 47.4 | 158.3 | 37.8 | -29.7 | 0 | 0 | 0 | 111.7 | K104 | K104-P106 WeakPolarHBondContact O-CD 3.49Š| ||
| 107 | R | 46.3 | Very low | 45.7 | Very low | 239 Ų | 239 | 144.6 Ų | 144.6 | 90% | 0.902 | 76% | 0.76 | S | S | * | * | trans | -101.1 | 40.6 | 171.7 | -101.9 | -169.8 | 177.3 | -166.4 | 3 | 113.2 | ||||
| 108 | A | 49.7 | Very low | 46.1 | Very low | 75 Ų | 75 | 143.9 Ų | 143.9 | 62% | 0.62 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -131.4 | -32.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116 | K110 | A108-K110 PolarHBondContact O-N 3.35Å; A108-K110 VanDerWaalsContact O-N 3.1Å |
| 109 | E | 46.5 | Very low | 46.2 | Very low | 187 Ų | 187 | 144.7 Ų | 144.7 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 49.9 | -163.5 | -62.1 | -167.6 | 117.8 | 0 | 0 | 115.6 | ||
| 110 | K | 43.5 | Very low | 46.4 | Very low | 206 Ų | 206 | 146 Ų | 146 | 90% | 0.896 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.3 | 27.1 | 167.5 | -142.2 | 173.6 | -172.7 | 172.8 | 0 | 114.6 | A108 | A108-K110 PolarHBondContact O-N 3.35Å; A108-K110 VanDerWaalsContact O-N 3.1Å |
| 111 | K | 45.9 | Very low | 45.8 | Very low | 168 Ų | 168 | 149.7 Ų | 149.7 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -116.8 | -25.4 | 172.1 | -69.5 | -178.1 | 177.3 | 177.3 | 0 | 113.5 | L113 C114 | K111-L113 VanDerWaalsContact C-N 3.29Å; K111-L113 PolarHBondContact O-N 2.93Å; K111-C114 PolarHBondContact O-N 2.99Å |
| 112 | E | 47.8 | Very low | 46.1 | Very low | 136 Ų | 136 | 150.7 Ų | 150.7 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -1.9 | -176.1 | -74.1 | -58.7 | 111.6 | 0 | 0 | 116.1 | ||
| 113 | L | 46 | Very low | 46.1 | Very low | 178 Ų | 178 | 153.5 Ų | 153.5 | 93% | 0.932 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 4.1 | 170.7 | -67.6 | 176.4 | 0 | 0 | 0 | 113.8 | K111 | K111-L113 VanDerWaalsContact C-N 3.29Å; K111-L113 PolarHBondContact O-N 2.93Å |
| 114 | C | 42.7 | Very low | 45.6 | Very low | 115 Ų | 115 | 159.6 Ų | 159.6 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -113.6 | -8 | 174.3 | -154.8 | 0 | 0 | 0 | 0 | 112.9 | K111 | K111-C114 PolarHBondContact O-N 2.99Š|
| 115 | A | 48.8 | Very low | 45.7 | Very low | 56 Ų | 56 | 155.1 Ų | 155.1 | 46% | 0.463 | 79% | 0.792 | S | S | . | * | S | Bend | trans | -89.5 | -30.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 116 | L | 46.3 | Very low | 45.5 | Very low | 146 Ų | 146 | 157.7 Ų | 157.7 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -86 | -7.2 | -175.9 | -95.7 | 171.8 | 0 | 0 | 0 | 115.8 | K118 | L116-K118 PolarHBondContact O-N 3.29Å; L116-K118 VanDerWaalsContact O-N 3.07Å |
| 117 | Q | 43.7 | Very low | 45.2 | Very low | 184 Ų | 184 | 156.5 Ų | 156.5 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | 38.7 | 173.1 | -161 | 77 | 52.5 | 0 | 0 | 111.9 | ||
| 118 | K | 43 | Very low | 45.3 | Very low | 186 Ų | 186 | 152 Ų | 152 | 81% | 0.809 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.8 | 22.2 | -173.3 | -137.9 | -176.5 | -178.2 | -172.5 | 0 | 117.2 | L116 | L116-K118 PolarHBondContact O-N 3.29Å; L116-K118 VanDerWaalsContact O-N 3.07Å |
| 119 | V | 49.2 | Very low | 44.9 | Very low | 125 Ų | 125 | 155.7 Ų | 155.7 | 76% | 0.758 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -141 | 56.2 | 172.3 | -161 | 0 | 0 | 0 | 0 | 112.6 | ||
| 120 | V | 45.8 | Very low | 44.9 | Very low | 147 Ų | 147 | 150.1 Ų | 150.1 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | trans | -149.7 | 92.8 | 151.2 | -175 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 121 | E | 40.8 | Very low | 45.2 | Very low | 198 Ų | 198 | 149.4 Ų | 149.4 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | trans | -157.5 | 109.1 | 138.2 | -154.1 | 162.5 | -173.2 | 0 | 0 | 108.4 | ||||
| 122 | L | 47.6 | Very low | 45.7 | Very low | 152 Ų | 152 | 152.8 Ų | 152.8 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | trans | -99 | 115.6 | -175.2 | -175.1 | 76.5 | 0 | 0 | 0 | 109.6 | ||||
| 123 | E | 47.7 | Very low | 45.8 | Very low | 172 Ų | 172 | 151.8 Ų | 151.8 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | 46 | 121.6 | 150.8 | -57 | -171.1 | 137.4 | 0 | 0 | 121.7 | ||||
| 124 | K | 36.8 | Very low | 46.4 | Very low | 204 Ų | 204 | 154.9 Ų | 154.9 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | trans | -154 | 163.5 | 134.3 | -112.3 | -149.7 | 162.2 | 178.6 | 0 | 110.5 | ||||
| 125 | P | 44.2 | Very low | 47.2 | Very low | 114 Ų | 114 | 153.9 Ų | 153.9 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | trans | -103.7 | 175.7 | -136.7 | 8.8 | 14.1 | 0 | 0 | 0 | 114.1 | ||||
| 126 | E | 46.2 | Very low | 47.8 | Very low | 201 Ų | 201 | 162.5 Ų | 162.5 | 94% | 0.939 | 82% | 0.823 | S | S | * | * | trans | -58.8 | 139.6 | 178.1 | -58.1 | -173.1 | 108.9 | 0 | 0 | 113.6 | ||||
| 127 | A | 41 | Very low | 48.7 | Very low | 98 Ų | 98 | 167.3 Ų | 167.3 | 81% | 0.81 | 83% | 0.831 | S | S | * | * | trans | -146.8 | 130.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | N129 | A127-N129 PolarHBondContact O-N 2.87Š| ||
| 128 | D | 47.9 | Very low | 50.2 | Low | 143 Ų | 143 | 170.1 Ų | 170.1 | 77% | 0.765 | 83% | 0.833 | S | S | * | * | trans | -50.1 | 129.6 | 179.7 | -173 | -57.2 | 0 | 0 | 0 | 113.1 | A130 | D128-A130 PolarHBondContact OD1-N 3.43Š| ||
| 129 | N | 40.7 | Very low | 52 | Low | 154 Ų | 154 | 172.7 Ų | 172.7 | 82% | 0.824 | 84% | 0.838 | S | S | * | * | trans | -149.8 | 99 | 148.4 | -138.6 | -107.4 | 0 | 0 | 0 | 114.3 | A127 | A127-N129 PolarHBondContact O-N 2.87Š| ||
| 130 | A | 46.7 | Very low | 53.3 | Low | 69 Ų | 69 | 175.8 Ų | 175.8 | 57% | 0.57 | 84% | 0.841 | S | S | * | * | trans | 21.1 | 111.8 | 141.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | D128 R132 | D128-A130 PolarHBondContact OD1-N 3.43Å; A130-R132 PolarHBondContact O-N 3.13Å | ||
| 131 | E | 51.2 | Low | 55.1 | Low | 192 Ų | 192 | 174.4 Ų | 174.4 | 90% | 0.897 | 84% | 0.835 | S | S | * | * | trans | 6.1 | 83.5 | 146.5 | -164.2 | 179 | -174.3 | 0 | 0 | 117.5 | P133 | E131-P133 WeakPolarHBondContact O-CD 3.21Š| ||
| 132 | R | 55.1 | Low | 57.4 | Low | 239 Ų | 239 | 176.4 Ų | 176.4 | 90% | 0.902 | 83% | 0.834 | S | S | * | * | trans | -92.7 | 113.9 | 167.5 | -131.5 | 177.7 | -171.4 | -154.2 | 3.3 | 110.6 | A130 R134 | A130-R132 PolarHBondContact O-N 3.13Å; R132-R134 PolarHBondContact O-N 3.06Å | ||
| 133 | P | 49.9 | Very low | 59.4 | Low | 114 Ų | 114 | 175.1 Ų | 175.1 | 74% | 0.74 | 83% | 0.833 | S | S | * | * | trans | -61.9 | 127.6 | -176.7 | 22.7 | -32.7 | 0 | 0 | 0 | 110.9 | E131 A135 | E131-P133 WeakPolarHBondContact O-CD 3.21Å; P133-A135 PolarHBondContact O-N 2.78Å | ||
| 134 | R | 58.2 | Low | 61.7 | Low | 243 Ų | 243 | 174.3 Ų | 174.3 | 92% | 0.917 | 83% | 0.833 | S | S | * | * | trans | -39.3 | 103.4 | -170.3 | -63.5 | 174.8 | -175.5 | -105.7 | -0.3 | 112.5 | R132 R136 | R132-R134 PolarHBondContact O-N 3.06Å; R134-R136 PolarHBondContact O-N 3.31Å | ||
| 135 | A | 59.4 | Low | 64.6 | Low | 95 Ų | 95 | 167.5 Ų | 167.5 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -55.4 | 116 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | P133 R137 | P133-A135 PolarHBondContact O-N 2.78Å; A135-R137 PolarHBondContact O-N 3.07Å | ||
| 136 | R | 62.9 | Low | 67.1 | Low | 237 Ų | 237 | 165 Ų | 165 | 89% | 0.894 | 79% | 0.788 | S | S | * | * | trans | -47.9 | 116.3 | 178.9 | -71.8 | 177.6 | 173.7 | 171.9 | -2.1 | 108.9 | R134 R138 | R134-R136 PolarHBondContact O-N 3.31Å; R136-R138 PolarHBondContact O-N 2.78Å | ||
| 137 | R | 65.6 | Low | 69.6 | Low | 246 Ų | 246 | 162.9 Ų | 162.9 | 93% | 0.928 | 78% | 0.779 | S | S | * | * | trans | -46.8 | 105.4 | -177.6 | -80.9 | -176.5 | 173.9 | -101.6 | 7 | 109.5 | A135 R139 | A135-R137 PolarHBondContact O-N 3.07Å; R137-R139 PolarHBondContact O-N 3.34Å | ||
| 138 | R | 73.7 | Confident | 72.3 | Confident | 244 Ų | 244 | 161.6 Ų | 161.6 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 127 | -178.6 | -69.9 | -174.3 | 174.8 | -137.7 | 0.3 | 108.1 | R136 | R136-R138 PolarHBondContact O-N 2.78Š|
| 139 | R | 80.8 | Confident | 74.7 | Confident | 239 Ų | 239 | 156.5 Ų | 156.5 | 90% | 0.902 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 140.3 | 177.7 | -67.4 | -179.2 | 176.2 | -177.6 | -1.6 | 108.2 | R137 | R137-R139 PolarHBondContact O-N 3.34Š|
| 140 | K | 77.8 | Confident | 77.5 | Confident | 191 Ų | 191 | 150.8 Ų | 150.8 | 83% | 0.83 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 135.8 | 176.6 | -83.9 | 88.7 | 170.9 | -165.8 | 0 | 109.3 | ||
| 141 | P | 83.2 | Confident | 79.9 | Confident | 118 Ų | 118 | 154.4 Ų | 154.4 | 77% | 0.766 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 144.6 | 171.9 | -26.7 | 35.3 | 0 | 0 | 0 | 111.4 | V143 | P141-V143 PolarHBondContact O-N 3.02Š|
| 142 | R | 89.8 | Confident | 82.2 | Confident | 239 Ų | 239 | 147.8 Ų | 147.8 | 90% | 0.902 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 122.7 | 172.3 | -71 | -179.8 | 174.3 | 170.5 | -3.1 | 108.4 | ||
| 143 | V | 89.6 | Confident | 84.3 | Confident | 126 Ų | 126 | 136.4 Ų | 136.4 | 76% | 0.764 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 131.9 | 171.3 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | P141 | P141-V143 PolarHBondContact O-N 3.02Š|
| 144 | L | 94.6 | Very high | 86.6 | Confident | 154 Ų | 154 | 134 Ų | 134 | 81% | 0.806 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 151 | 172.9 | -60.6 | 178.6 | 0 | 0 | 0 | 109.8 | ||
| 145 | F | 97.6 | Very high | 88.5 | Confident | 61 Ų | 61 | 128.3 Ų | 128.3 | 27% | 0.268 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -79.4 | 149.1 | 171.4 | -57.3 | -44.9 | 0 | 0 | 0 | 110.3 | Q149 V150 L177 Q181 W185 | F145-Q149 HydrophobicContact CB-CB 4.2Å; F145-V150 HydrophobicContact CB-CG2 4.01Å; F145-L177 HydrophobicContact CD1-CD1 4.24Å; F145-L177 HydrophobicContact CD1-CD2 3.74Å; F145-L177 HydrophobicContact CE1-CD1 4.21Å; F145-L177 HydrophobicContact CE1-CD2 3.68Å; F145-Q181 HydrophobicContact CE1-CB 4.26Å; F145-Q181 HydrophobicContact CE1-CG 4.27Å; F145-Q181 HydrophobicContact CZ-CB 3.95Å; F145-Q181 HydrophobicContact CZ-CG 4.17Å; F145-W185 AromaticContact CD2-CD1 3.78Å; F145-W185 HydrophobicContact CE2-CB 4.28Å; F145-W185 AromaticContact CE2-CD1 3.73Å; F145-W185 HydrophobicContact CE2-CG 4.35Å |
| 146 | S | 98.2 | Very high | 90.3 | Very high | 61 Ų | 61 | 127.6 Ų | 127.6 | 43% | 0.427 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -71.2 | 159 | 175.7 | 76.6 | 0 | 0 | 0 | 0 | 111.4 | A148 Q149 V150 | S146-A148 VanDerWaalsContact C-N 3.25Å; S146-A148 PolarHBondContact O-N 2.93Å; S146-Q149 WeakPolarHBondContact O-CB 3.31Å; S146-Q149 PolarHBondContact O-N 3.43Å; S146-Q149 VanDerWaalsContact O-N 3.08Å; S146-Q149 WeakPolarHBondContact OG-CG 3.16Å; S146-Q149 PolarHBondContact OG-N 3.3Å; S146-V150 WeakPolarHBondContact O-CG2 3.28Å; S146-V150 PolarHBondContact O-N 3.41Å |
| 147 | Q | 98.1 | Very high | 92 | Very high | 158 Ų | 158 | 116.7 Ų | 116.7 | 74% | 0.738 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60 | -36.3 | -179.9 | -170.8 | 63.5 | 6.4 | 0 | 0 | 112.4 | V150 Y151 | Q147-V150 PolarHBondContact O-N 2.91Å; Q147-Y151 WeakPolarHBondContact O-CB 3.4Å; Q147-Y151 PolarHBondContact O-N 3.36Å |
| 148 | A | 97.9 | Very high | 93.6 | Very high | 70 Ų | 70 | 113.4 Ų | 113.4 | 58% | 0.579 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.2 | -40.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S146 Y151 E152 | S146-A148 VanDerWaalsContact C-N 3.25Å; S146-A148 PolarHBondContact O-N 2.93Å; A148-Y151 PolarHBondContact O-N 3.19Å; A148-E152 PolarHBondContact O-N 3.48Å; A148-E152 VanDerWaalsContact O-N 3.16Å |
| 149 | Q | 98.4 | Very high | 94.7 | Very high | 37 Ų | 37 | 107.5 Ų | 107.5 | 17% | 0.173 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -63 | -44.1 | 173.7 | -72.4 | 171.9 | -30.8 | 0 | 0 | 111.2 | F145 S146 L153 L175 | F145-Q149 HydrophobicContact CB-CB 4.2Å; S146-Q149 WeakPolarHBondContact O-CB 3.31Å; S146-Q149 PolarHBondContact O-N 3.43Å; S146-Q149 VanDerWaalsContact O-N 3.08Å; S146-Q149 WeakPolarHBondContact OG-CG 3.16Å; S146-Q149 PolarHBondContact OG-N 3.3Å; Q149-L153 WeakPolarHBondContact O-CB 3.35Å; Q149-L153 WeakPolarHBondContact O-CD1 3.34Å; Q149-L153 WeakPolarHBondContact O-CG 3.48Å; Q149-L153 PolarHBondContact O-N 2.95Å; Q149-L175 HydrophobicContact CG-CB 4.47Å; Q149-L175 PolarHBondContact NE2-O 3.47Å |
| 150 | V | 98.4 | Very high | 95.6 | Very high | 33 Ų | 33 | 98.7 Ų | 98.7 | 20% | 0.2 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 177.4 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | F145 S146 Q147 L153 E154 | F145-V150 HydrophobicContact CB-CG2 4.01Å; S146-V150 WeakPolarHBondContact O-CG2 3.28Å; S146-V150 PolarHBondContact O-N 3.41Å; Q147-V150 PolarHBondContact O-N 2.91Å; V150-L153 PolarHBondContact O-N 3.24Å; V150-E154 HydrophobicContact CG1-CG 4.39Å; V150-E154 WeakPolarHBondContact O-CG 3.38Å; V150-E154 PolarHBondContact O-N 2.89Å |
| 151 | Y | 98.4 | Very high | 96.5 | Very high | 146 Ų | 146 | 94.6 Ų | 94.6 | 57% | 0.573 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -58.1 | -51.1 | 178 | 174.3 | -92.2 | 0 | 0 | 0 | 112.2 | Q147 A148 E154 R155 | Q147-Y151 WeakPolarHBondContact O-CB 3.4Å; Q147-Y151 PolarHBondContact O-N 3.36Å; A148-Y151 PolarHBondContact O-N 3.19Å; Y151-E154 PolarHBondContact O-N 2.81Å; Y151-R155 WeakPolarHBondContact O-CB 3.41Å; Y151-R155 PolarHBondContact O-N 3.36Å |
| 152 | E | 98.5 | Very high | 97.2 | Very high | 52 Ų | 52 | 96.4 Ų | 96.4 | 24% | 0.243 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -68.2 | -36 | 179.6 | -79.6 | -60.7 | 139.8 | 0 | 0 | 112.6 | A148 E154 R155 R156 L175 | A148-E152 PolarHBondContact O-N 3.48Å; A148-E152 VanDerWaalsContact O-N 3.16Å; E152-E154 PolarHBondContact O-N 3.16Å; E152-R155 PolarHBondContact O-N 2.88Å; E152-R155 WeakPolarHBondContact OE1-CD 3.44Å; E152-R155 IonicContact OE1-CZ 3.77Å; E152-R155 IonicContact OE1-NE 3.99Å; E152-R155 IonicContact OE1-NH1 2.78Å; E152-R155 PolarHBondContact OE1-NH1 3.48Å; E152-R155 WeakPolarHBondContact OE2-CD 3.46Å; E152-R155 IonicContact OE2-NH1 3.34Å; E152-R155 PolarHBondContact OE2-NH1 3.27Å; E152-R156 WeakPolarHBondContact O-CB 3.35Å; E152-R156 PolarHBondContact O-N 3.38Å; E152-L175 HydrophobicContact CB-CD1 4.2Å; E152-L175 HydrophobicContact CB-CD2 3.59Å; E152-L175 HydrophobicContact CG-CD2 4.08Å |
| 153 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 86.1 Ų | 86.1 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 171.3 | -72.5 | 166 | 0 | 0 | 0 | 111.6 | Q149 V150 F157 L171 L175 L177 V182 W185 F186 | Q149-L153 WeakPolarHBondContact O-CB 3.35Å; Q149-L153 WeakPolarHBondContact O-CD1 3.34Å; Q149-L153 WeakPolarHBondContact O-CG 3.48Å; Q149-L153 PolarHBondContact O-N 2.95Å; V150-L153 PolarHBondContact O-N 3.24Å; L153-F157 VanDerWaalsContact O-CB 3.22Å; L153-F157 WeakPolarHBondContact O-CB 3.44Å; L153-F157 PolarHBondContact O-N 3.26Å; L153-L171 HydrophobicContact CD2-CD2 4Å; L153-L175 HydrophobicContact CD2-CD1 3.85Å; L153-L175 HydrophobicContact CG-CD1 3.7Å; L153-L177 HydrophobicContact CD1-CD1 4.22Å; L153-V182 HydrophobicContact CD2-CG1 4.37Å; L153-W185 HydrophobicContact CB-CD2 3.9Å; L153-W185 HydrophobicContact CB-CE3 3.85Å; L153-W185 HydrophobicContact CB-CH2 3.69Å; L153-W185 HydrophobicContact CB-CZ2 3.71Å; L153-W185 HydrophobicContact CB-CZ3 3.76Å; L153-W185 HydrophobicContact CD1-CD2 3.89Å; L153-W185 HydrophobicContact CD1-CE3 4.5Å; L153-W185 HydrophobicContact CD1-CG 3.86Å; L153-W185 HydrophobicContact CD2-CD2 4.37Å; L153-W185 HydrophobicContact CD2-CE3 4.21Å; L153-W185 HydrophobicContact CG-CD2 4.27Å; L153-W185 HydrophobicContact CG-CE3 4.41Å; L153-W185 WeakPolarHBondContact O-CZ3 3.34Å; L153-F186 HydrophobicContact CD2-CD2 4.42Å; L153-F186 HydrophobicContact CD2-CE2 3.89Å |
| 154 | E | 98.4 | Very high | 98 | Very high | 63 Ų | 63 | 82.7 Ų | 82.7 | 29% | 0.294 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -69.3 | -39.5 | 175.5 | -72.9 | -161.8 | 156.3 | 0 | 0 | 112.9 | V150 Y151 E152 F157 K158 W185 R189 | V150-E154 HydrophobicContact CG1-CG 4.39Å; V150-E154 WeakPolarHBondContact O-CG 3.38Å; V150-E154 PolarHBondContact O-N 2.89Å; Y151-E154 PolarHBondContact O-N 2.81Å; E152-E154 PolarHBondContact O-N 3.16Å; E154-F157 PolarHBondContact O-N 2.88Å; E154-K158 WeakPolarHBondContact O-CG 3.29Å; E154-K158 PolarHBondContact O-N 2.98Å; E154-W185 HydrophobicContact CB-CH2 4.42Å; E154-W185 HydrophobicContact CG-CH2 3.71Å; E154-W185 HydrophobicContact CG-CZ2 3.73Å; E154-R189 IonicContact OE1-CZ 2.72Å; E154-R189 IonicContact OE1-NH1 2.75Å; E154-R189 PolarHBondContact OE1-NH1 3.38Å; E154-R189 IonicContact OE1-NH2 3.39Å |
| 155 | R | 98.5 | Very high | 98.2 | Very high | 125 Ų | 125 | 77.7 Ų | 77.7 | 47% | 0.472 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.3 | -50.1 | 174.8 | -176.6 | -174.9 | 177.3 | -161.2 | -0.5 | 110.9 | Y151 E152 K158 Q159 | Y151-R155 WeakPolarHBondContact O-CB 3.41Å; Y151-R155 PolarHBondContact O-N 3.36Å; E152-R155 PolarHBondContact O-N 2.88Å; E152-R155 WeakPolarHBondContact OE1-CD 3.44Å; E152-R155 IonicContact OE1-CZ 3.77Å; E152-R155 IonicContact OE1-NE 3.99Å; E152-R155 IonicContact OE1-NH1 2.78Å; E152-R155 PolarHBondContact OE1-NH1 3.48Å; E152-R155 WeakPolarHBondContact OE2-CD 3.46Å; E152-R155 IonicContact OE2-NH1 3.34Å; E152-R155 PolarHBondContact OE2-NH1 3.27Å; R155-K158 PolarHBondContact O-N 3.24Å; R155-Q159 PolarHBondContact O-N 2.95Å |
| 156 | R | 98.3 | Very high | 98.2 | Very high | 80 Ų | 80 | 78.7 Ų | 78.7 | 30% | 0.302 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.1 | -36.7 | 176.9 | -169.9 | 60.6 | 178.2 | 175.4 | 0.9 | 112 | E152 K158 Q159 Q160 L163 E167 L171 F186 | E152-R156 WeakPolarHBondContact O-CB 3.35Å; E152-R156 PolarHBondContact O-N 3.38Å; R156-K158 VanDerWaalsContact C-N 3.34Å; R156-K158 PolarHBondContact O-N 3.05Å; R156-Q159 VanDerWaalsContact CD-OE1 3.31Å; R156-Q159 WeakPolarHBondContact O-CB 3.47Å; R156-Q159 PolarHBondContact O-N 2.82Å; R156-Q160 VanDerWaalsContact NH2-OE1 3.08Å; R156-Q160 PolarHBondContact O-N 3.44Å; R156-L163 HydrophobicContact CG-CD2 4.24Å; R156-E167 IonicContact NH2-OE1 3.54Å; R156-L171 HydrophobicContact CB-CD2 4.22Å; R156-L171 HydrophobicContact CG-CD2 4.05Å; R156-F186 HydrophobicContact CB-CZ 4.39Å; R156-F186 HydrophobicContact CG-CZ 4.33Å |
| 157 | F | 98.5 | Very high | 98.3 | Very high | 8 Ų | 8 | 78 Ų | 78 | 4% | 0.035 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.3 | -33.7 | 176.6 | -175.7 | -95.8 | 0 | 0 | 0 | 114 | L153 E154 Q159 Q160 R161 W185 F186 R189 R190 | L153-F157 VanDerWaalsContact O-CB 3.22Å; L153-F157 WeakPolarHBondContact O-CB 3.44Å; L153-F157 PolarHBondContact O-N 3.26Å; E154-F157 PolarHBondContact O-N 2.88Å; F157-Q159 VanDerWaalsContact C-N 3.31Å; F157-Q160 CarbonylContact O-C 3.53Å; F157-Q160 PolarHBondContact O-N 2.92Å; F157-R161 HydrophobicContact CE1-CG 4.42Å; F157-R161 HydrophobicContact CE2-CB 4.07Å; F157-R161 HydrophobicContact CE2-CG 4.33Å; F157-R161 HydrophobicContact CZ-CB 4.26Å; F157-R161 HydrophobicContact CZ-CG 4.11Å; F157-W185 HydrophobicContact CB-CH2 4.29Å; F157-W185 HydrophobicContact CB-CZ3 4.03Å; F157-W185 HydrophobicContact CD2-CZ3 4.41Å; F157-W185 HydrophobicContact CG-CZ3 4.37Å; F157-F186 HydrophobicContact CB-CE1 4.15Å; F157-F186 HydrophobicContact CB-CZ 4.28Å; F157-F186 AromaticContact CD2-CD1 3.78Å; F157-F186 HydrophobicContact CD2-CD1 3.78Å; F157-F186 AromaticContact CD2-CE1 3.8Å; F157-F186 HydrophobicContact CD2-CE1 3.8Å; F157-F186 HydrophobicContact CE2-CD1 4.45Å; F157-F186 HydrophobicContact CG-CE1 4.49Å; F157-R189 HydrophobicContact CD1-CG 3.65Å; F157-R189 HydrophobicContact CD2-CB 4.24Å; F157-R189 HydrophobicContact CD2-CG 3.76Å; F157-R189 HydrophobicContact CE1-CG 3.58Å; F157-R189 HydrophobicContact CE2-CB 4.08Å; F157-R189 HydrophobicContact CE2-CG 3.71Å; F157-R189 HydrophobicContact CG-CG 3.74Å; F157-R189 HydrophobicContact CZ-CB 4.32Å; F157-R189 HydrophobicContact CZ-CG 3.61Å; F157-R190 HydrophobicContact CE2-CG 3.82Å; F157-R190 HydrophobicContact CZ-CG 4.12Å |
| 158 | K | 98 | Very high | 98.3 | Very high | 177 Ų | 177 | 73.1 Ų | 73.1 | 77% | 0.77 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63.6 | -37.9 | 173.7 | -74 | 171.2 | -177.1 | 179.8 | 0 | 111.7 | E154 R155 R156 | E154-K158 WeakPolarHBondContact O-CG 3.29Å; E154-K158 PolarHBondContact O-N 2.98Å; R155-K158 PolarHBondContact O-N 3.24Å; R156-K158 VanDerWaalsContact C-N 3.34Å; R156-K158 PolarHBondContact O-N 3.05Å |
| 159 | Q | 98 | Very high | 98.3 | Very high | 120 Ų | 120 | 73.5 Ų | 73.5 | 56% | 0.561 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -71.9 | -45.1 | 175.6 | -61.4 | 169.1 | -6 | 0 | 0 | 111.5 | R155 R156 F157 | R155-Q159 PolarHBondContact O-N 2.95Å; R156-Q159 VanDerWaalsContact CD-OE1 3.31Å; R156-Q159 WeakPolarHBondContact O-CB 3.47Å; R156-Q159 PolarHBondContact O-N 2.82Å; F157-Q159 VanDerWaalsContact C-N 3.31Å |
| 160 | Q | 98 | Very high | 98.3 | Very high | 53 Ų | 53 | 78 Ų | 78 | 25% | 0.248 | 36% | 0.362 | C | S | . | . | trans | -149.2 | 113.4 | -168.2 | -173.4 | -179.1 | -4.9 | 0 | 0 | 110.9 | R156 F157 Y162 L163 E167 F186 | R156-Q160 VanDerWaalsContact NH2-OE1 3.08Å; R156-Q160 PolarHBondContact O-N 3.44Å; F157-Q160 CarbonylContact O-C 3.53Å; F157-Q160 PolarHBondContact O-N 2.92Å; Q160-Y162 VanDerWaalsContact C-N 3.31Å; Q160-Y162 VanDerWaalsContact CG-O 3.29Å; Q160-Y162 WeakPolarHBondContact CG-O 3.4Å; Q160-Y162 PolarHBondContact NE2-O 3.49Å; Q160-Y162 PolarHBondContact O-N 3.49Å; Q160-L163 HydrophobicContact CB-CD2 4.3Å; Q160-L163 HydrophobicContact CG-CD2 4.04Å; Q160-E167 VanDerWaalsContact NE2-CD 3.3Å; Q160-E167 PolarHBondContact NE2-OE1 2.62Å; Q160-E167 PolarHBondContact NE2-OE2 3.42Å; Q160-E167 VanDerWaalsContact NE2-OE2 3.07Å; Q160-E167 PolarHBondContact OE1-OE1 3.03Å; Q160-F186 WeakPolarHBondContact O-CE1 3.49Å | ||
| 161 | R | 97.6 | Very high | 98.3 | Very high | 106 Ų | 106 | 77.3 Ų | 77.3 | 40% | 0.4 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -77.3 | -15.7 | -174.4 | -59.9 | 177 | 69.8 | 88 | 0.6 | 114 | F157 R190 C193 | F157-R161 HydrophobicContact CE1-CG 4.42Å; F157-R161 HydrophobicContact CE2-CB 4.07Å; F157-R161 HydrophobicContact CE2-CG 4.33Å; F157-R161 HydrophobicContact CZ-CB 4.26Å; F157-R161 HydrophobicContact CZ-CG 4.11Å; R161-R190 WeakPolarHBondContact O-CD 3.36Å; R161-C193 VanDerWaalsContact NH2-CB 3.28Å |
| 162 | Y | 98.3 | Very high | 98.3 | Very high | 155 Ų | 155 | 70.5 Ų | 70.5 | 61% | 0.608 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -137.3 | 115.8 | -176.7 | -65.9 | -96.4 | 0 | 0 | 0 | 109.3 | Q160 R190 | Q160-Y162 VanDerWaalsContact C-N 3.31Å; Q160-Y162 VanDerWaalsContact CG-O 3.29Å; Q160-Y162 WeakPolarHBondContact CG-O 3.4Å; Q160-Y162 PolarHBondContact NE2-O 3.49Å; Q160-Y162 PolarHBondContact O-N 3.49Å; Y162-R190 VanDerWaalsContact CE1-CD 3.43Å; Y162-R190 VanDerWaalsContact CZ-CD 3.41Å |
| 163 | L | 98.2 | Very high | 98.3 | Very high | 24 Ų | 24 | 72.1 Ų | 72.1 | 13% | 0.126 | 35% | 0.348 | C | S | . | . | trans | -97.8 | 140.2 | 176.5 | -60.6 | -179.5 | 0 | 0 | 0 | 110.7 | R156 Q160 E167 R168 L171 V182 F186 | R156-L163 HydrophobicContact CG-CD2 4.24Å; Q160-L163 HydrophobicContact CB-CD2 4.3Å; Q160-L163 HydrophobicContact CG-CD2 4.04Å; L163-E167 HydrophobicContact CB-CB 4.25Å; L163-E167 HydrophobicContact CD2-CB 4.25Å; L163-R168 HydrophobicContact CB-CG 3.56Å; L163-R168 HydrophobicContact CD1-CG 3.96Å; L163-R168 HydrophobicContact CG-CG 4.42Å; L163-L171 HydrophobicContact CD1-CD2 3.81Å; L163-V182 HydrophobicContact CD1-CG1 4.26Å; L163-F186 HydrophobicContact CD1-CD1 4.29Å; L163-F186 HydrophobicContact CD1-CD2 4.24Å; L163-F186 HydrophobicContact CD1-CE1 3.76Å; L163-F186 HydrophobicContact CD1-CE2 3.71Å; L163-F186 HydrophobicContact CD1-CZ 3.46Å; L163-F186 VanDerWaalsContact CD1-CZ 3.46Å; L163-F186 HydrophobicContact CD2-CE1 4.33Å; L163-F186 HydrophobicContact CG-CD1 4.1Å; L163-F186 HydrophobicContact CG-CE1 3.67Å; L163-F186 HydrophobicContact CG-CZ 3.91Å | ||
| 164 | S | 98.4 | Very high | 98.2 | Very high | 53 Ų | 53 | 77.3 Ų | 77.3 | 37% | 0.371 | 38% | 0.38 | S | S | . | . | trans | -65.4 | -174.6 | 169.1 | 66.7 | 0 | 0 | 0 | 0 | 111.9 | P166 E167 R168 | S164-P166 WeakPolarHBondContact OG-CD 3.5Å; S164-E167 WeakPolarHBondContact CB-OE2 3.43Å; S164-E167 PolarHBondContact N-OE2 3.3Å; S164-E167 VanDerWaalsContact OG-CD 3.26Å; S164-E167 VanDerWaalsContact OG-CG 3.28Å; S164-E167 WeakPolarHBondContact OG-CG 3.44Å; S164-E167 PolarHBondContact OG-OE2 3.14Å; S164-R168 VanDerWaalsContact O-CG 3.31Å; S164-R168 WeakPolarHBondContact O-CG 3.37Å; S164-R168 PolarHBondContact O-NE 2.77Å | ||
| 165 | A | 98.1 | Very high | 98.2 | Very high | 50 Ų | 50 | 75.1 Ų | 75.1 | 41% | 0.413 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.5 | -61.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113 | E167 R168 D169 | A165-E167 VanDerWaalsContact C-N 3.31Å; A165-E167 PolarHBondContact O-N 3.39Å; A165-R168 WeakPolarHBondContact O-CB 3.34Å; A165-R168 PolarHBondContact O-N 3.43Å; A165-D169 PolarHBondContact O-N 2.96Å |
| 166 | P | 98.3 | Very high | 98.2 | Very high | 82 Ų | 82 | 78.3 Ų | 78.3 | 53% | 0.532 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.7 | -36.6 | -174 | 23.3 | -34.9 | 0 | 0 | 0 | 113.4 | S164 R168 D169 Q170 | S164-P166 WeakPolarHBondContact OG-CD 3.5Å; P166-R168 VanDerWaalsContact C-N 3.29Å; P166-R168 PolarHBondContact O-N 2.88Å; P166-D169 PolarHBondContact O-N 2.87Å; P166-Q170 WeakPolarHBondContact O-CG 3.45Å; P166-Q170 PolarHBondContact O-N 3.13Å |
| 167 | E | 98.3 | Very high | 98.2 | Very high | 46 Ų | 46 | 75.6 Ų | 75.6 | 22% | 0.215 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.1 | -32.1 | 176.9 | -65.1 | 169.3 | 117.8 | 0 | 0 | 112.9 | R156 Q160 L163 S164 A165 L171 | R156-E167 IonicContact NH2-OE1 3.54Å; Q160-E167 VanDerWaalsContact NE2-CD 3.3Å; Q160-E167 PolarHBondContact NE2-OE1 2.62Å; Q160-E167 PolarHBondContact NE2-OE2 3.42Å; Q160-E167 VanDerWaalsContact NE2-OE2 3.07Å; Q160-E167 PolarHBondContact OE1-OE1 3.03Å; L163-E167 HydrophobicContact CB-CB 4.25Å; L163-E167 HydrophobicContact CD2-CB 4.25Å; S164-E167 WeakPolarHBondContact CB-OE2 3.43Å; S164-E167 PolarHBondContact N-OE2 3.3Å; S164-E167 VanDerWaalsContact OG-CD 3.26Å; S164-E167 VanDerWaalsContact OG-CG 3.28Å; S164-E167 WeakPolarHBondContact OG-CG 3.44Å; S164-E167 PolarHBondContact OG-OE2 3.14Å; A165-E167 VanDerWaalsContact C-N 3.31Å; A165-E167 PolarHBondContact O-N 3.39Å; E167-L171 WeakPolarHBondContact O-CB 3.22Å; E167-L171 PolarHBondContact O-N 2.97Å |
| 168 | R | 98.6 | Very high | 98.1 | Very high | 55 Ų | 55 | 78.7 Ų | 78.7 | 21% | 0.208 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -71.7 | -37.4 | 174.1 | -75.4 | -178.4 | -71.7 | 120.6 | -0.9 | 111.3 | L163 S164 A165 P166 L171 A172 V182 | L163-R168 HydrophobicContact CB-CG 3.56Å; L163-R168 HydrophobicContact CD1-CG 3.96Å; L163-R168 HydrophobicContact CG-CG 4.42Å; S164-R168 VanDerWaalsContact O-CG 3.31Å; S164-R168 WeakPolarHBondContact O-CG 3.37Å; S164-R168 PolarHBondContact O-NE 2.77Å; A165-R168 WeakPolarHBondContact O-CB 3.34Å; A165-R168 PolarHBondContact O-N 3.43Å; P166-R168 VanDerWaalsContact C-N 3.29Å; P166-R168 PolarHBondContact O-N 2.88Å; R168-L171 PolarHBondContact O-N 3.33Å; R168-A172 WeakPolarHBondContact O-CB 3.35Å; R168-A172 PolarHBondContact O-N 3.28Å; R168-V182 HydrophobicContact CB-CG1 4.37Å; R168-V182 HydrophobicContact CG-CG1 4.05Å |
| 169 | D | 98.5 | Very high | 98.1 | Very high | 78 Ų | 78 | 71.9 Ų | 71.9 | 42% | 0.417 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.4 | -41 | 179 | -58.4 | -36.6 | 0 | 0 | 0 | 110.8 | A165 P166 A172 S173 S179 | A165-D169 PolarHBondContact O-N 2.96Å; P166-D169 PolarHBondContact O-N 2.87Å; D169-A172 PolarHBondContact O-N 2.9Å; D169-S173 PolarHBondContact O-N 3.39Å; D169-S179 WeakPolarHBondContact OD1-CB 3.23Å; D169-S179 PolarHBondContact OD1-OG 3.36Å |
| 170 | Q | 98.4 | Very high | 98.2 | Very high | 131 Ų | 131 | 70.4 Ų | 70.4 | 61% | 0.612 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.3 | -49.1 | 171.2 | -72.6 | 175.7 | -22.5 | 0 | 0 | 112.4 | P166 A172 S173 V174 | P166-Q170 WeakPolarHBondContact O-CG 3.45Å; P166-Q170 PolarHBondContact O-N 3.13Å; Q170-A172 VanDerWaalsContact C-N 3.29Å; Q170-A172 PolarHBondContact O-N 3.13Å; Q170-S173 PolarHBondContact O-N 3.24Å; Q170-S173 PolarHBondContact O-OG 3.39Å; Q170-V174 WeakPolarHBondContact O-CG2 3.46Å; Q170-V174 PolarHBondContact O-N 3.44Å |
| 171 | L | 98.3 | Very high | 98.2 | Very high | 19 Ų | 19 | 71.1 Ų | 71.1 | 10% | 0.099 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.3 | -34.1 | 179.2 | -172.3 | 63.1 | 0 | 0 | 0 | 112.1 | L153 R156 L163 E167 R168 L175 V182 F186 | L153-L171 HydrophobicContact CD2-CD2 4Å; R156-L171 HydrophobicContact CB-CD2 4.22Å; R156-L171 HydrophobicContact CG-CD2 4.05Å; L163-L171 HydrophobicContact CD1-CD2 3.81Å; E167-L171 WeakPolarHBondContact O-CB 3.22Å; E167-L171 PolarHBondContact O-N 2.97Å; R168-L171 PolarHBondContact O-N 3.33Å; L171-L175 HydrophobicContact CD1-CD1 3.88Å; L171-L175 HydrophobicContact CD1-CG 4.17Å; L171-L175 HydrophobicContact CG-CD1 3.99Å; L171-L175 HydrophobicContact CG-CG 4.49Å; L171-L175 WeakPolarHBondContact O-CB 3.45Å; L171-L175 WeakPolarHBondContact O-CG 3.18Å; L171-L175 PolarHBondContact O-N 3.47Å; L171-L175 VanDerWaalsContact O-N 3.13Å; L171-V182 HydrophobicContact CD2-CG1 3.99Å; L171-F186 HydrophobicContact CD2-CE2 3.86Å; L171-F186 HydrophobicContact CD2-CZ 4.17Å |
| 172 | A | 98.5 | Very high | 98.2 | Very high | 4 Ų | 4 | 66 Ų | 66 | 3% | 0.033 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R168 D169 Q170 L175 K176 L177 V182 | R168-A172 WeakPolarHBondContact O-CB 3.35Å; R168-A172 PolarHBondContact O-N 3.28Å; D169-A172 PolarHBondContact O-N 2.9Å; Q170-A172 VanDerWaalsContact C-N 3.29Å; Q170-A172 PolarHBondContact O-N 3.13Å; A172-L175 PolarHBondContact O-N 3.26Å; A172-K176 PolarHBondContact O-N 2.95Å; A172-L177 CarbonylContact C-O 3.52Å; A172-L177 WeakPolarHBondContact CB-O 3.36Å; A172-L177 PolarHBondContact O-N 2.9Å; A172-L177 VanDerWaalsContact O-O 3.13Å; A172-V182 HydrophobicContact CB-CG2 4Å |
| 173 | S | 98.3 | Very high | 98.2 | Very high | 86 Ų | 86 | 64.4 Ų | 64.4 | 60% | 0.601 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -64.4 | -44.8 | 178.5 | 71.6 | 0 | 0 | 0 | 0 | 112.3 | D169 Q170 L175 K176 | D169-S173 PolarHBondContact O-N 3.39Å; Q170-S173 PolarHBondContact O-N 3.24Å; Q170-S173 PolarHBondContact O-OG 3.39Å; S173-L175 PolarHBondContact O-N 3.35Å; S173-K176 PolarHBondContact O-N 2.75Å |
| 174 | V | 97.8 | Very high | 98.2 | Very high | 109 Ų | 109 | 66.9 Ų | 66.9 | 66% | 0.661 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61.3 | -42.9 | 178 | 175.7 | 0 | 0 | 0 | 0 | 111.8 | Q170 | Q170-V174 WeakPolarHBondContact O-CG2 3.46Å; Q170-V174 PolarHBondContact O-N 3.44Å |
| 175 | L | 97.6 | Very high | 98.2 | Very high | 16 Ų | 16 | 65.9 Ų | 65.9 | 8% | 0.084 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -88.7 | 0.9 | -176.2 | -58.6 | -176 | 0 | 0 | 0 | 114.4 | Q149 E152 L153 L171 A172 S173 L177 | Q149-L175 HydrophobicContact CG-CB 4.47Å; Q149-L175 PolarHBondContact NE2-O 3.47Å; E152-L175 HydrophobicContact CB-CD1 4.2Å; E152-L175 HydrophobicContact CB-CD2 3.59Å; E152-L175 HydrophobicContact CG-CD2 4.08Å; L153-L175 HydrophobicContact CD2-CD1 3.85Å; L153-L175 HydrophobicContact CG-CD1 3.7Å; L171-L175 HydrophobicContact CD1-CD1 3.88Å; L171-L175 HydrophobicContact CD1-CG 4.17Å; L171-L175 HydrophobicContact CG-CD1 3.99Å; L171-L175 HydrophobicContact CG-CG 4.49Å; L171-L175 WeakPolarHBondContact O-CB 3.45Å; L171-L175 WeakPolarHBondContact O-CG 3.18Å; L171-L175 PolarHBondContact O-N 3.47Å; L171-L175 VanDerWaalsContact O-N 3.13Å; A172-L175 PolarHBondContact O-N 3.26Å; S173-L175 PolarHBondContact O-N 3.35Å; L175-L177 HydrophobicContact CB-CD1 4.16Å; L175-L177 HydrophobicContact CB-CG 4.15Å; L175-L177 PolarHBondContact O-N 3.42Å |
| 176 | K | 98.3 | Very high | 98.2 | Very high | 192 Ų | 192 | 63.7 Ų | 63.7 | 84% | 0.835 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 42.7 | -173.3 | -54.9 | -177.9 | -177.8 | 179.1 | 0 | 112.1 | A172 S173 | A172-K176 PolarHBondContact O-N 2.95Å; S173-K176 PolarHBondContact O-N 2.75Å |
| 177 | L | 97.6 | Very high | 98.2 | Very high | 24 Ų | 24 | 62.5 Ų | 62.5 | 13% | 0.126 | 32% | 0.322 | C | S | . | . | trans | -114.9 | 172.2 | 175.7 | -66.2 | 179.9 | 0 | 0 | 0 | 110 | F145 L153 A172 L175 Q181 V182 | F145-L177 HydrophobicContact CD1-CD1 4.24Å; F145-L177 HydrophobicContact CD1-CD2 3.74Å; F145-L177 HydrophobicContact CE1-CD1 4.21Å; F145-L177 HydrophobicContact CE1-CD2 3.68Å; L153-L177 HydrophobicContact CD1-CD1 4.22Å; A172-L177 CarbonylContact C-O 3.52Å; A172-L177 WeakPolarHBondContact CB-O 3.36Å; A172-L177 PolarHBondContact O-N 2.9Å; A172-L177 VanDerWaalsContact O-O 3.13Å; L175-L177 HydrophobicContact CB-CD1 4.16Å; L175-L177 HydrophobicContact CB-CG 4.15Å; L175-L177 PolarHBondContact O-N 3.42Å; L177-Q181 HydrophobicContact CB-CB 4.49Å; L177-V182 HydrophobicContact CB-CG2 4.36Å | ||
| 178 | T | 98.3 | Very high | 98.2 | Very high | 73 Ų | 73 | 65 Ų | 65 | 45% | 0.448 | 34% | 0.336 | S | S | . | . | trans | -90.6 | 149.4 | 167.8 | 62 | 0 | 0 | 0 | 0 | 111.2 | T180 Q181 V182 | T178-T180 PolarHBondContact O-N 3.17Å; T178-Q181 WeakPolarHBondContact O-CA 3.46Å; T178-Q181 WeakPolarHBondContact O-CB 3.15Å; T178-Q181 PolarHBondContact O-N 3.2Å; T178-Q181 WeakPolarHBondContact OG1-CG 3.44Å; T178-Q181 PolarHBondContact OG1-N 3.38Å; T178-Q181 PolarHBondContact OG1-OE1 3Å; T178-V182 PolarHBondContact O-N 3.47Å | ||
| 179 | S | 98 | Very high | 98.2 | Very high | 33 Ų | 33 | 65.4 Ų | 65.4 | 23% | 0.231 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.5 | -25.5 | 175.8 | -37.5 | 0 | 0 | 0 | 0 | 113.1 | D169 K183 | D169-S179 WeakPolarHBondContact OD1-CB 3.23Å; D169-S179 PolarHBondContact OD1-OG 3.36Å; S179-K183 VanDerWaalsContact O-CB 3.31Å; S179-K183 WeakPolarHBondContact O-CB 3.49Å; S179-K183 PolarHBondContact O-N 2.95Å |
| 180 | T | 98.3 | Very high | 98.2 | Very high | 90 Ų | 90 | 64.1 Ų | 64.1 | 55% | 0.552 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -72.8 | -42.1 | 172.4 | -60.1 | 0 | 0 | 0 | 0 | 112.2 | T178 K183 I184 | T178-T180 PolarHBondContact O-N 3.17Å; T180-K183 WeakPolarHBondContact O-CB 3.39Å; T180-K183 PolarHBondContact O-N 2.76Å; T180-I184 HydrophobicContact CG2-CD1 3.94Å; T180-I184 WeakPolarHBondContact O-CB 3.31Å; T180-I184 VanDerWaalsContact O-CG1 3.28Å; T180-I184 WeakPolarHBondContact O-CG1 3.28Å; T180-I184 PolarHBondContact O-N 2.7Å |
| 181 | Q | 98.1 | Very high | 98.2 | Very high | 67 Ų | 67 | 64 Ų | 64 | 31% | 0.313 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 172.4 | -77.9 | 161.2 | -49.9 | 0 | 0 | 111.2 | F145 L177 T178 I184 W185 | F145-Q181 HydrophobicContact CE1-CB 4.26Å; F145-Q181 HydrophobicContact CE1-CG 4.27Å; F145-Q181 HydrophobicContact CZ-CB 3.95Å; F145-Q181 HydrophobicContact CZ-CG 4.17Å; L177-Q181 HydrophobicContact CB-CB 4.49Å; T178-Q181 WeakPolarHBondContact O-CA 3.46Å; T178-Q181 WeakPolarHBondContact O-CB 3.15Å; T178-Q181 PolarHBondContact O-N 3.2Å; T178-Q181 WeakPolarHBondContact OG1-CG 3.44Å; T178-Q181 PolarHBondContact OG1-N 3.38Å; T178-Q181 PolarHBondContact OG1-OE1 3Å; Q181-I184 PolarHBondContact O-N 3.49Å; Q181-W185 WeakPolarHBondContact O-CB 3.43Å; Q181-W185 PolarHBondContact O-N 3.21Å |
| 182 | V | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60 | -47.2 | 173.7 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | L153 L163 R168 L171 A172 L177 T178 I184 W185 F186 | L153-V182 HydrophobicContact CD2-CG1 4.37Å; L163-V182 HydrophobicContact CD1-CG1 4.26Å; R168-V182 HydrophobicContact CB-CG1 4.37Å; R168-V182 HydrophobicContact CG-CG1 4.05Å; L171-V182 HydrophobicContact CD2-CG1 3.99Å; A172-V182 HydrophobicContact CB-CG2 4Å; L177-V182 HydrophobicContact CB-CG2 4.36Å; T178-V182 PolarHBondContact O-N 3.47Å; V182-I184 PolarHBondContact O-N 3.14Å; V182-W185 PolarHBondContact O-N 2.83Å; V182-F186 HydrophobicContact CG1-CD2 3.82Å; V182-F186 HydrophobicContact CG1-CE2 3.96Å; V182-F186 WeakPolarHBondContact O-CD2 3.5Å; V182-F186 PolarHBondContact O-N 2.98Å |
| 183 | K | 98.3 | Very high | 97.8 | Very high | 120 Ų | 120 | 70.6 Ų | 70.6 | 52% | 0.522 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -55.3 | -48.9 | 175.7 | -174.5 | -172.7 | -178.2 | -177.6 | 0 | 112.2 | S179 T180 Q187 | S179-K183 VanDerWaalsContact O-CB 3.31Å; S179-K183 WeakPolarHBondContact O-CB 3.49Å; S179-K183 PolarHBondContact O-N 2.95Å; T180-K183 WeakPolarHBondContact O-CB 3.39Å; T180-K183 PolarHBondContact O-N 2.76Å; K183-Q187 WeakPolarHBondContact O-CB 3.46Å; K183-Q187 PolarHBondContact O-N 3Å |
| 184 | I | 98.3 | Very high | 97.6 | Very high | 77 Ų | 77 | 71.9 Ų | 71.9 | 40% | 0.395 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 180 | -69.3 | 166.9 | 0 | 0 | 0 | 110.6 | T180 Q181 V182 Q187 N188 | T180-I184 HydrophobicContact CG2-CD1 3.94Å; T180-I184 WeakPolarHBondContact O-CB 3.31Å; T180-I184 VanDerWaalsContact O-CG1 3.28Å; T180-I184 WeakPolarHBondContact O-CG1 3.28Å; T180-I184 PolarHBondContact O-N 2.7Å; Q181-I184 PolarHBondContact O-N 3.49Å; V182-I184 PolarHBondContact O-N 3.14Å; I184-Q187 PolarHBondContact O-N 3.3Å; I184-N188 WeakPolarHBondContact O-CB 3.39Å; I184-N188 VanDerWaalsContact O-CG 3.24Å; I184-N188 PolarHBondContact O-N 3.13Å |
| 185 | W | 98.3 | Very high | 97.5 | Very high | 31 Ų | 31 | 74.2 Ų | 74.2 | 12% | 0.117 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 178.8 | -171.9 | 99.7 | 0 | 0 | 0 | 111.6 | F145 L153 E154 F157 Q181 V182 Q187 N188 R189 | F145-W185 AromaticContact CD2-CD1 3.78Å; F145-W185 HydrophobicContact CE2-CB 4.28Å; F145-W185 AromaticContact CE2-CD1 3.73Å; F145-W185 HydrophobicContact CE2-CG 4.35Å; L153-W185 HydrophobicContact CB-CD2 3.9Å; L153-W185 HydrophobicContact CB-CE3 3.85Å; L153-W185 HydrophobicContact CB-CH2 3.69Å; L153-W185 HydrophobicContact CB-CZ2 3.71Å; L153-W185 HydrophobicContact CB-CZ3 3.76Å; L153-W185 HydrophobicContact CD1-CD2 3.89Å; L153-W185 HydrophobicContact CD1-CE3 4.5Å; L153-W185 HydrophobicContact CD1-CG 3.86Å; L153-W185 HydrophobicContact CD2-CD2 4.37Å; L153-W185 HydrophobicContact CD2-CE3 4.21Å; L153-W185 HydrophobicContact CG-CD2 4.27Å; L153-W185 HydrophobicContact CG-CE3 4.41Å; L153-W185 WeakPolarHBondContact O-CZ3 3.34Å; E154-W185 HydrophobicContact CB-CH2 4.42Å; E154-W185 HydrophobicContact CG-CH2 3.71Å; E154-W185 HydrophobicContact CG-CZ2 3.73Å; F157-W185 HydrophobicContact CB-CH2 4.29Å; F157-W185 HydrophobicContact CB-CZ3 4.03Å; F157-W185 HydrophobicContact CD2-CZ3 4.41Å; F157-W185 HydrophobicContact CG-CZ3 4.37Å; Q181-W185 WeakPolarHBondContact O-CB 3.43Å; Q181-W185 PolarHBondContact O-N 3.21Å; V182-W185 PolarHBondContact O-N 2.83Å; W185-Q187 VanDerWaalsContact C-N 3.3Å; W185-Q187 PolarHBondContact O-N 3.3Å; W185-N188 PolarHBondContact O-N 3.02Å; W185-R189 HydrophobicContact CE3-CB 4.09Å; W185-R189 HydrophobicContact CH2-CB 4.07Å; W185-R189 HydrophobicContact CH2-CG 3.8Å; W185-R189 HydrophobicContact CZ3-CB 3.8Å; W185-R189 HydrophobicContact CZ3-CG 3.88Å; W185-R189 WeakPolarHBondContact O-CB 3.49Å; W185-R189 PolarHBondContact O-N 3.04Å |
| 186 | F | 98.6 | Very high | 97.1 | Very high | 5 Ų | 5 | 78.4 Ų | 78.4 | 2% | 0.022 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.2 | -35.4 | 176.4 | -90.8 | -105.2 | 0 | 0 | 0 | 112.5 | L153 R156 F157 Q160 L163 L171 V182 R190 | L153-F186 HydrophobicContact CD2-CD2 4.42Å; L153-F186 HydrophobicContact CD2-CE2 3.89Å; R156-F186 HydrophobicContact CB-CZ 4.39Å; R156-F186 HydrophobicContact CG-CZ 4.33Å; F157-F186 HydrophobicContact CB-CE1 4.15Å; F157-F186 HydrophobicContact CB-CZ 4.28Å; F157-F186 AromaticContact CD2-CD1 3.78Å; F157-F186 HydrophobicContact CD2-CD1 3.78Å; F157-F186 AromaticContact CD2-CE1 3.8Å; F157-F186 HydrophobicContact CD2-CE1 3.8Å; F157-F186 HydrophobicContact CE2-CD1 4.45Å; F157-F186 HydrophobicContact CG-CE1 4.49Å; Q160-F186 WeakPolarHBondContact O-CE1 3.49Å; L163-F186 HydrophobicContact CD1-CD1 4.29Å; L163-F186 HydrophobicContact CD1-CD2 4.24Å; L163-F186 HydrophobicContact CD1-CE1 3.76Å; L163-F186 HydrophobicContact CD1-CE2 3.71Å; L163-F186 HydrophobicContact CD1-CZ 3.46Å; L163-F186 VanDerWaalsContact CD1-CZ 3.46Å; L163-F186 HydrophobicContact CD2-CE1 4.33Å; L163-F186 HydrophobicContact CG-CD1 4.1Å; L163-F186 HydrophobicContact CG-CE1 3.67Å; L163-F186 HydrophobicContact CG-CZ 3.91Å; L171-F186 HydrophobicContact CD2-CE2 3.86Å; L171-F186 HydrophobicContact CD2-CZ 4.17Å; V182-F186 HydrophobicContact CG1-CD2 3.82Å; V182-F186 HydrophobicContact CG1-CE2 3.96Å; V182-F186 WeakPolarHBondContact O-CD2 3.5Å; V182-F186 PolarHBondContact O-N 2.98Å; F186-R190 WeakPolarHBondContact O-CG 3.24Å; F186-R190 PolarHBondContact O-N 2.95Å; F186-R190 PolarHBondContact O-NE 3.05Å |
| 187 | Q | 98.4 | Very high | 96.4 | Very high | 57 Ų | 57 | 77.8 Ų | 77.8 | 27% | 0.266 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.7 | -48.6 | 174.2 | -172.2 | 62.5 | 56.5 | 0 | 0 | 111.3 | K183 I184 W185 R189 R190 Y191 | K183-Q187 WeakPolarHBondContact O-CB 3.46Å; K183-Q187 PolarHBondContact O-N 3Å; I184-Q187 PolarHBondContact O-N 3.3Å; W185-Q187 VanDerWaalsContact C-N 3.3Å; W185-Q187 PolarHBondContact O-N 3.3Å; Q187-R189 VanDerWaalsContact C-N 3.34Å; Q187-R189 PolarHBondContact O-N 2.72Å; Q187-R190 PolarHBondContact O-N 3.26Å; Q187-Y191 HydrophobicContact CG-CD2 3.97Å; Q187-Y191 HydrophobicContact CG-CE2 3.57Å; Q187-Y191 VanDerWaalsContact NE2-CZ 3.31Å; Q187-Y191 VanDerWaalsContact O-CD2 3.23Å; Q187-Y191 WeakPolarHBondContact O-CD2 3.41Å; Q187-Y191 PolarHBondContact O-N 3.01Å |
| 188 | N | 98.1 | Very high | 95.8 | Very high | 97 Ų | 97 | 81.7 Ų | 81.7 | 52% | 0.519 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 176.5 | -69.3 | -11.1 | 0 | 0 | 0 | 111.9 | I184 W185 Y191 K192 | I184-N188 WeakPolarHBondContact O-CB 3.39Å; I184-N188 VanDerWaalsContact O-CG 3.24Å; I184-N188 PolarHBondContact O-N 3.13Å; W185-N188 PolarHBondContact O-N 3.02Å; N188-Y191 PolarHBondContact O-N 3.5Å; N188-K192 PolarHBondContact O-N 2.86Å |
| 189 | R | 98.1 | Very high | 95 | Very high | 65 Ų | 65 | 81 Ų | 81 | 25% | 0.245 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 177.4 | -172.3 | 69.5 | -161 | -169.8 | -2.9 | 112 | E154 F157 W185 Q187 K192 C193 | E154-R189 IonicContact OE1-CZ 2.72Å; E154-R189 IonicContact OE1-NH1 2.75Å; E154-R189 PolarHBondContact OE1-NH1 3.38Å; E154-R189 IonicContact OE1-NH2 3.39Å; F157-R189 HydrophobicContact CD1-CG 3.65Å; F157-R189 HydrophobicContact CD2-CB 4.24Å; F157-R189 HydrophobicContact CD2-CG 3.76Å; F157-R189 HydrophobicContact CE1-CG 3.58Å; F157-R189 HydrophobicContact CE2-CB 4.08Å; F157-R189 HydrophobicContact CE2-CG 3.71Å; F157-R189 HydrophobicContact CG-CG 3.74Å; F157-R189 HydrophobicContact CZ-CB 4.32Å; F157-R189 HydrophobicContact CZ-CG 3.61Å; W185-R189 HydrophobicContact CE3-CB 4.09Å; W185-R189 HydrophobicContact CH2-CB 4.07Å; W185-R189 HydrophobicContact CH2-CG 3.8Å; W185-R189 HydrophobicContact CZ3-CB 3.8Å; W185-R189 HydrophobicContact CZ3-CG 3.88Å; W185-R189 WeakPolarHBondContact O-CB 3.49Å; W185-R189 PolarHBondContact O-N 3.04Å; Q187-R189 VanDerWaalsContact C-N 3.34Å; Q187-R189 PolarHBondContact O-N 2.72Å; R189-K192 PolarHBondContact O-N 2.7Å; R189-C193 PolarHBondContact O-N 2.96Å; R189-C193 VanDerWaalsContact O-N 3.14Å |
| 190 | R | 98.1 | Very high | 94.1 | Very high | 51 Ų | 51 | 85.1 Ų | 85.1 | 19% | 0.192 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 172.3 | -77.2 | -174.5 | -77.6 | 122.3 | 2.6 | 112 | F157 R161 Y162 F186 Q187 C193 K194 | F157-R190 HydrophobicContact CE2-CG 3.82Å; F157-R190 HydrophobicContact CZ-CG 4.12Å; R161-R190 WeakPolarHBondContact O-CD 3.36Å; Y162-R190 VanDerWaalsContact CE1-CD 3.43Å; Y162-R190 VanDerWaalsContact CZ-CD 3.41Å; F186-R190 WeakPolarHBondContact O-CG 3.24Å; F186-R190 PolarHBondContact O-N 2.95Å; F186-R190 PolarHBondContact O-NE 3.05Å; Q187-R190 PolarHBondContact O-N 3.26Å; R190-C193 PolarHBondContact O-N 3.49Å; R190-K194 PolarHBondContact O-N 3.41Å |
| 191 | Y | 97.8 | Very high | 93 | Very high | 129 Ų | 129 | 85 Ų | 85 | 51% | 0.506 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 175.9 | -76.9 | -56.6 | 0 | 0 | 0 | 112.6 | Q187 N188 C193 K194 R195 | Q187-Y191 HydrophobicContact CG-CD2 3.97Å; Q187-Y191 HydrophobicContact CG-CE2 3.57Å; Q187-Y191 VanDerWaalsContact NE2-CZ 3.31Å; Q187-Y191 VanDerWaalsContact O-CD2 3.23Å; Q187-Y191 WeakPolarHBondContact O-CD2 3.41Å; Q187-Y191 PolarHBondContact O-N 3.01Å; N188-Y191 PolarHBondContact O-N 3.5Å; Y191-C193 PolarHBondContact O-N 2.89Å; Y191-K194 PolarHBondContact O-N 3.41Å; Y191-K194 VanDerWaalsContact O-N 3.13Å; Y191-R195 PolarHBondContact O-N 3.48Å |
| 192 | K | 95.8 | Very high | 91.5 | Very high | 137 Ų | 137 | 87 Ų | 87 | 60% | 0.596 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -59.2 | -46.6 | 177 | -171.1 | 176.1 | 179.9 | 179.5 | 0 | 111.8 | N188 R189 K194 R195 Q196 | N188-K192 PolarHBondContact O-N 2.86Å; R189-K192 PolarHBondContact O-N 2.7Å; K192-K194 VanDerWaalsContact C-N 3.34Å; K192-K194 PolarHBondContact O-N 3.13Å; K192-R195 PolarHBondContact O-N 3.08Å; K192-Q196 WeakPolarHBondContact O-CB 3.38Å; K192-Q196 PolarHBondContact O-N 3.49Å |
| 193 | C | 93.9 | Very high | 89.9 | Confident | 23 Ų | 23 | 94.9 Ų | 94.9 | 16% | 0.155 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -60.8 | -39.6 | 173.8 | -82.2 | 0 | 0 | 0 | 0 | 113.2 | R161 R189 R190 Y191 R197 | R161-C193 VanDerWaalsContact NH2-CB 3.28Å; R189-C193 PolarHBondContact O-N 2.96Å; R189-C193 VanDerWaalsContact O-N 3.14Å; R190-C193 PolarHBondContact O-N 3.49Å; Y191-C193 PolarHBondContact O-N 2.89Å; C193-R197 PolarHBondContact O-N 3.41Å |
| 194 | K | 94.4 | Very high | 88.2 | Confident | 114 Ų | 114 | 96.5 Ų | 96.5 | 50% | 0.496 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.1 | -47.3 | 178.4 | -169.8 | -173.9 | 72.3 | 165.8 | 0 | 110.7 | R190 Y191 K192 R197 Q198 | R190-K194 PolarHBondContact O-N 3.41Å; Y191-K194 PolarHBondContact O-N 3.41Å; Y191-K194 VanDerWaalsContact O-N 3.13Å; K192-K194 VanDerWaalsContact C-N 3.34Å; K192-K194 PolarHBondContact O-N 3.13Å; K194-R197 PolarHBondContact O-N 3.48Å; K194-Q198 WeakPolarHBondContact O-CG 3.27Å; K194-Q198 PolarHBondContact O-N 2.94Å |
| 195 | R | 93.9 | Very high | 86.5 | Confident | 157 Ų | 157 | 97.2 Ų | 97.2 | 59% | 0.592 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -64 | -45.2 | -179.4 | -159.1 | -177.3 | -174.4 | -83.6 | 8.1 | 111.4 | Y191 K192 R197 Q198 D199 | Y191-R195 PolarHBondContact O-N 3.48Å; K192-R195 PolarHBondContact O-N 3.08Å; R195-R197 VanDerWaalsContact C-N 3.26Å; R195-R197 PolarHBondContact O-N 3.11Å; R195-Q198 WeakPolarHBondContact O-CB 3.4Å; R195-Q198 PolarHBondContact O-N 3.34Å; R195-D199 IonicContact CZ-OD1 3.75Å; R195-D199 IonicContact CZ-OD2 2.62Å; R195-D199 IonicContact NH1-OD1 3.78Å; R195-D199 PolarHBondContact NH1-OD1 2.75Å; R195-D199 IonicContact NH1-OD2 3.35Å; R195-D199 PolarHBondContact NH1-OD2 3.06Å; R195-D199 WeakPolarHBondContact O-CB 3.44Å; R195-D199 PolarHBondContact O-N 2.99Å |
| 196 | Q | 90.6 | Very high | 84.5 | Confident | 104 Ų | 104 | 98.8 Ų | 98.8 | 49% | 0.486 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -57.5 | -35.7 | 177.7 | -171.7 | 173.3 | 13.6 | 0 | 0 | 113.2 | K192 Q200 | K192-Q196 WeakPolarHBondContact O-CB 3.38Å; K192-Q196 PolarHBondContact O-N 3.49Å; Q196-Q200 WeakPolarHBondContact O-CB 3.36Å; Q196-Q200 VanDerWaalsContact O-CG 3.24Å; Q196-Q200 WeakPolarHBondContact O-CG 3.37Å; Q196-Q200 PolarHBondContact O-N 2.95Å |
| 197 | R | 84.1 | Confident | 82.8 | Confident | 180 Ų | 180 | 104.2 Ų | 104.2 | 68% | 0.679 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.5 | -39.6 | 173.6 | -71.7 | -177.5 | 177.7 | -166.7 | -3.5 | 112.7 | C193 K194 R195 Q200 T201 | C193-R197 PolarHBondContact O-N 3.41Å; K194-R197 PolarHBondContact O-N 3.48Å; R195-R197 VanDerWaalsContact C-N 3.26Å; R195-R197 PolarHBondContact O-N 3.11Å; R197-Q200 PolarHBondContact O-N 3.28Å; R197-T201 PolarHBondContact O-N 3.36Å; R197-T201 PolarHBondContact O-OG1 2.97Å |
| 198 | Q | 84.2 | Confident | 81.1 | Confident | 105 Ų | 105 | 106.5 Ų | 106.5 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.6 | -44.5 | 177.7 | -68.3 | 175.8 | -22.4 | 0 | 0 | 111.4 | K194 R195 Q200 T201 L202 | K194-Q198 WeakPolarHBondContact O-CG 3.27Å; K194-Q198 PolarHBondContact O-N 2.94Å; R195-Q198 WeakPolarHBondContact O-CB 3.4Å; R195-Q198 PolarHBondContact O-N 3.34Å; Q198-Q200 VanDerWaalsContact C-N 3.35Å; Q198-Q200 PolarHBondContact O-N 3.47Å; Q198-T201 PolarHBondContact O-N 2.94Å; Q198-L202 PolarHBondContact O-N 3.48Å |
| 199 | D | 81.9 | Confident | 79.6 | Confident | 60 Ų | 60 | 107.3 Ų | 107.3 | 32% | 0.321 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 175.4 | -58.9 | -21.4 | 0 | 0 | 0 | 109.9 | R195 T201 L202 E203 | R195-D199 IonicContact CZ-OD1 3.75Å; R195-D199 IonicContact CZ-OD2 2.62Å; R195-D199 IonicContact NH1-OD1 3.78Å; R195-D199 PolarHBondContact NH1-OD1 2.75Å; R195-D199 IonicContact NH1-OD2 3.35Å; R195-D199 PolarHBondContact NH1-OD2 3.06Å; R195-D199 WeakPolarHBondContact O-CB 3.44Å; R195-D199 PolarHBondContact O-N 2.99Å; D199-T201 PolarHBondContact O-N 3.33Å; D199-L202 PolarHBondContact O-N 2.92Å; D199-E203 WeakPolarHBondContact O-CG 3.47Å; D199-E203 PolarHBondContact O-N 2.99Å; D199-E203 VanDerWaalsContact O-N 3.11Å |
| 200 | Q | 79.1 | Confident | 78.1 | Confident | 118 Ų | 118 | 109.6 Ų | 109.6 | 55% | 0.551 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.9 | -36.6 | 174.1 | -79.9 | 176.8 | -23.3 | 0 | 0 | 114.3 | Q196 R197 Q198 L202 L204 | Q196-Q200 WeakPolarHBondContact O-CB 3.36Å; Q196-Q200 VanDerWaalsContact O-CG 3.24Å; Q196-Q200 WeakPolarHBondContact O-CG 3.37Å; Q196-Q200 PolarHBondContact O-N 2.95Å; R197-Q200 PolarHBondContact O-N 3.28Å; Q198-Q200 VanDerWaalsContact C-N 3.35Å; Q198-Q200 PolarHBondContact O-N 3.47Å; Q200-L202 VanDerWaalsContact C-N 3.35Å; Q200-L204 WeakPolarHBondContact O-CB 3.38Å; Q200-L204 PolarHBondContact O-N 3.29Å |
| 201 | T | 74.4 | Confident | 76.8 | Confident | 89 Ų | 89 | 112.6 Ų | 112.6 | 55% | 0.546 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.1 | -37.3 | 174.5 | -65.2 | 0 | 0 | 0 | 0 | 111.6 | R197 Q198 D199 V205 | R197-T201 PolarHBondContact O-N 3.36Å; R197-T201 PolarHBondContact O-OG1 2.97Å; Q198-T201 PolarHBondContact O-N 2.94Å; D199-T201 PolarHBondContact O-N 3.33Å; T201-V205 HydrophobicContact CG2-CG2 4.39Å; T201-V205 WeakPolarHBondContact O-CG2 3.42Å; T201-V205 PolarHBondContact O-N 3.45Å |
| 202 | L | 66.6 | Low | 75.5 | Confident | 108 Ų | 108 | 111.8 Ų | 111.8 | 57% | 0.565 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.3 | -44.9 | 176.9 | -74.7 | 165.1 | 0 | 0 | 0 | 112 | Q198 D199 Q200 V205 | Q198-L202 PolarHBondContact O-N 3.48Å; D199-L202 PolarHBondContact O-N 2.92Å; Q200-L202 VanDerWaalsContact C-N 3.35Å; L202-V205 PolarHBondContact O-N 3.22Å |
| 203 | E | 64.9 | Low | 74.2 | Confident | 165 Ų | 165 | 110.5 Ų | 110.5 | 77% | 0.771 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -61.2 | -45 | 176.1 | -65.5 | -75.5 | 143.7 | 0 | 0 | 111.9 | D199 V205 G206 | D199-E203 WeakPolarHBondContact O-CG 3.47Å; D199-E203 PolarHBondContact O-N 2.99Å; D199-E203 VanDerWaalsContact O-N 3.11Å; E203-V205 VanDerWaalsContact C-N 3.34Å; E203-V205 PolarHBondContact O-N 3.05Å; E203-G206 PolarHBondContact O-N 3.49Å |
| 204 | L | 62.5 | Low | 72.9 | Confident | 155 Ų | 155 | 114.7 Ų | 114.7 | 81% | 0.812 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -71.1 | -25.5 | -176.4 | -174.4 | 61.5 | 0 | 0 | 0 | 113.8 | Q200 G206 | Q200-L204 WeakPolarHBondContact O-CB 3.38Å; Q200-L204 PolarHBondContact O-N 3.29Å; L204-G206 PolarHBondContact O-N 3.42Å |
| 205 | V | 63.4 | Low | 71.4 | Confident | 92 Ų | 92 | 113.7 Ų | 113.7 | 56% | 0.558 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -3.6 | 178 | 178.9 | 0 | 0 | 0 | 0 | 111.6 | T201 L202 E203 L207 | T201-V205 HydrophobicContact CG2-CG2 4.39Å; T201-V205 WeakPolarHBondContact O-CG2 3.42Å; T201-V205 PolarHBondContact O-N 3.45Å; L202-V205 PolarHBondContact O-N 3.22Å; E203-V205 VanDerWaalsContact C-N 3.34Å; E203-V205 PolarHBondContact O-N 3.05Å; V205-L207 HydrophobicContact CG1-CD1 3.89Å; V205-L207 HydrophobicContact CG1-CG 4.04Å; V205-L207 PolarHBondContact O-N 2.96Å |
| 206 | G | 55.3 | Low | 69.8 | Low | 63 Ų | 63 | 116.9 Ų | 116.9 | 65% | 0.649 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.5 | 12.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | E203 L204 | E203-G206 PolarHBondContact O-N 3.49Å; L204-G206 PolarHBondContact O-N 3.42Å |
| 207 | L | 63.9 | Low | 68.4 | Low | 119 Ų | 119 | 123.5 Ų | 123.5 | 62% | 0.623 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -70 | 125.7 | 174.8 | -73 | 167.4 | 0 | 0 | 0 | 108.1 | V205 | V205-L207 HydrophobicContact CG1-CD1 3.89Å; V205-L207 HydrophobicContact CG1-CG 4.04Å; V205-L207 PolarHBondContact O-N 2.96Å |
| 208 | P | 61.7 | Low | 67.4 | Low | 106 Ų | 106 | 121.8 Ų | 121.8 | 69% | 0.688 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 143.7 | 177.2 | 24.8 | -33.5 | 0 | 0 | 0 | 109.2 | ||
| 209 | P | 66.6 | Low | 66.1 | Low | 114 Ų | 114 | 121 Ų | 121 | 74% | 0.74 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 132.6 | 177.9 | 23.2 | -33.4 | 0 | 0 | 0 | 108.6 | ||
| 210 | P | 67.2 | Low | 65.4 | Low | 113 Ų | 113 | 123.7 Ų | 123.7 | 73% | 0.734 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 136.2 | -178.3 | 22.9 | -33.2 | 0 | 0 | 0 | 108.7 | ||
| 211 | P | 70.3 | Confident | 64.5 | Low | 113 Ų | 113 | 123.3 Ų | 123.3 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 138.8 | -176.8 | 22.1 | -33.2 | 0 | 0 | 0 | 109.1 | ||
| 212 | P | 69.8 | Low | 64 | Low | 113 Ų | 113 | 124.9 Ų | 124.9 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 130.5 | -176.6 | 22.3 | -33.2 | 0 | 0 | 0 | 108.4 | P214 | P212-P214 VanDerWaalsContact O-N 3.17Š|
| 213 | P | 69.3 | Low | 63.7 | Low | 110 Ų | 110 | 127.8 Ų | 127.8 | 71% | 0.714 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 129.7 | -177.9 | 22 | -32.8 | 0 | 0 | 0 | 107.9 | A215 | P213-A215 PolarHBondContact O-N 3.11Å; P213-A215 VanDerWaalsContact O-N 3.08Å |
| 214 | P | 67.8 | Low | 63.7 | Low | 111 Ų | 111 | 123.8 Ų | 123.8 | 72% | 0.721 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 124.6 | -170.3 | 20.8 | -33.5 | 0 | 0 | 0 | 107.9 | P212 R216 | P212-P214 VanDerWaalsContact O-N 3.17Å; P214-R216 VanDerWaalsContact C-N 3.33Å; P214-R216 WeakPolarHBondContact O-CG 3.3Å; P214-R216 PolarHBondContact O-N 3.07Å |
| 215 | A | 60.8 | Low | 63 | Low | 92 Ų | 92 | 127 Ų | 127 | 76% | 0.76 | 73% | 0.727 | S | S | * | * | trans | -53.3 | 96.8 | -163.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | P213 R217 | P213-A215 PolarHBondContact O-N 3.11Å; P213-A215 VanDerWaalsContact O-N 3.08Å; A215-R217 PolarHBondContact O-N 3.23Å | ||
| 216 | R | 61.5 | Low | 62.6 | Low | 225 Ų | 225 | 129.3 Ų | 129.3 | 85% | 0.849 | 74% | 0.736 | S | S | * | * | trans | -69.3 | 90.7 | 179.9 | -71.9 | -170.2 | 176.3 | -138.7 | -1.2 | 105.7 | P214 I218 | P214-R216 VanDerWaalsContact C-N 3.33Å; P214-R216 WeakPolarHBondContact O-CG 3.3Å; P214-R216 PolarHBondContact O-N 3.07Å; R216-I218 PolarHBondContact O-N 3.34Å | ||
| 217 | R | 61.3 | Low | 62.6 | Low | 242 Ų | 242 | 129.5 Ų | 129.5 | 91% | 0.913 | 74% | 0.738 | S | S | * | * | trans | -61.3 | 87.2 | 168.4 | -71.3 | -174.5 | 174.6 | -141.9 | 0.5 | 106.3 | A215 A219 | A215-R217 PolarHBondContact O-N 3.23Å; R217-A219 VanDerWaalsContact C-N 3.27Å; R217-A219 PolarHBondContact O-N 2.9Å | ||
| 218 | I | 61.9 | Low | 62.3 | Low | 144 Ų | 144 | 132.4 Ų | 132.4 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | trans | -62.6 | 101.5 | 166.4 | -61 | 174.3 | 0 | 0 | 0 | 104 | R216 V220 | R216-I218 PolarHBondContact O-N 3.34Å; I218-V220 VanDerWaalsContact C-N 3.29Å; I218-V220 PolarHBondContact O-N 2.9Å | ||
| 219 | A | 57.7 | Low | 61.6 | Low | 88 Ų | 88 | 132.3 Ų | 132.3 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | -61.1 | 100.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 106 | R217 P221 | R217-A219 VanDerWaalsContact C-N 3.27Å; R217-A219 PolarHBondContact O-N 2.9Å; A219-P221 WeakPolarHBondContact O-CD 3.49Å; A219-P221 VanDerWaalsContact O-N 3.14Å | ||
| 220 | V | 66.4 | Low | 60.9 | Low | 117 Ų | 117 | 133.1 Ų | 133.1 | 71% | 0.709 | 75% | 0.752 | S | S | * | * | trans | -63.7 | 113.4 | 170.5 | 177.5 | 0 | 0 | 0 | 0 | 104.9 | I218 V222 | I218-V220 VanDerWaalsContact C-N 3.29Å; I218-V220 PolarHBondContact O-N 2.9Å; V220-V222 PolarHBondContact O-N 3.02Å | ||
| 221 | P | 60.4 | Low | 60.3 | Low | 110 Ų | 110 | 135.3 Ų | 135.3 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | trans | -62 | 113.8 | 176.2 | 25.6 | -31.9 | 0 | 0 | 0 | 106.6 | A219 L223 | A219-P221 WeakPolarHBondContact O-CD 3.49Å; A219-P221 VanDerWaalsContact O-N 3.14Å; P221-L223 PolarHBondContact O-N 3.03Å | ||
| 222 | V | 65 | Low | 59.1 | Low | 123 Ų | 123 | 133.1 Ų | 133.1 | 75% | 0.745 | 75% | 0.754 | S | S | * | * | trans | -57.4 | 117.6 | 170.3 | 176.1 | 0 | 0 | 0 | 0 | 105.4 | V220 V224 | V220-V222 PolarHBondContact O-N 3.02Å; V222-V224 WeakPolarHBondContact O-CG2 3.2Å; V222-V224 PolarHBondContact O-N 3.38Å | ||
| 223 | L | 61 | Low | 58 | Low | 169 Ų | 169 | 136.1 Ų | 136.1 | 89% | 0.885 | 76% | 0.764 | S | S | * | * | trans | -65.3 | 90.5 | 173.4 | -87.3 | 160.5 | 0 | 0 | 0 | 107.4 | P221 R225 | P221-L223 PolarHBondContact O-N 3.03Å; L223-R225 PolarHBondContact O-N 3.31Å | ||
| 224 | V | 62.8 | Low | 56.8 | Low | 80 Ų | 80 | 136.1 Ų | 136.1 | 49% | 0.485 | 77% | 0.766 | S | S | . | * | trans | -62.5 | 111 | 176.5 | -170.4 | 0 | 0 | 0 | 0 | 106.9 | V222 | V222-V224 WeakPolarHBondContact O-CG2 3.2Å; V222-V224 PolarHBondContact O-N 3.38Å | ||
| 225 | R | 49.2 | Very low | 55.8 | Low | 223 Ų | 223 | 135.3 Ų | 135.3 | 84% | 0.842 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -85.4 | 119.7 | 163.2 | -166.3 | 155.9 | 176.6 | 105 | -2.4 | 106.1 | L223 | L223-R225 PolarHBondContact O-N 3.31Š|
| 226 | D | 54 | Low | 55.2 | Low | 141 Ų | 141 | 137.5 Ų | 137.5 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 65.6 | 42 | 173.7 | -45.8 | -43.7 | 0 | 0 | 0 | 116.5 | K228 | D226-K228 PolarHBondContact O-N 3.49Å; D226-K228 VanDerWaalsContact O-N 3.08Å |
| 227 | G | 56 | Low | 54.1 | Low | 66 Ų | 66 | 136.8 Ų | 136.8 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 73.4 | 1.9 | 150.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||
| 228 | K | 57 | Low | 53.6 | Low | 180 Ų | 180 | 129.3 Ų | 129.3 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | -120.5 | 119.3 | -179.1 | -73 | -179.3 | 176.9 | 178.4 | 0 | 113 | D226 C230 | D226-K228 PolarHBondContact O-N 3.49Å; D226-K228 VanDerWaalsContact O-N 3.08Å; K228-C230 PolarHBondContact O-N 2.99Å | ||
| 229 | P | 47.4 | Very low | 52.8 | Low | 105 Ų | 105 | 126.5 Ų | 126.5 | 68% | 0.682 | 76% | 0.756 | S | S | * | * | trans | -68 | 117.7 | 165.8 | -13.4 | 28.3 | 0 | 0 | 0 | 109.5 | L231 | P229-L231 PolarHBondContact O-N 3.32Š| ||
| 230 | C | 51.1 | Low | 52.2 | Low | 131 Ų | 131 | 127.3 Ų | 127.3 | 89% | 0.885 | 76% | 0.762 | S | S | * | * | trans | -76.9 | 69.1 | 170 | 56.8 | 0 | 0 | 0 | 0 | 110.6 | K228 | K228-C230 PolarHBondContact O-N 2.99Š| ||
| 231 | L | 56.6 | Low | 51 | Low | 159 Ų | 159 | 130.2 Ų | 130.2 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | -80.9 | 112.3 | 159.2 | -70.8 | 175.5 | 0 | 0 | 0 | 107 | P229 | P229-L231 PolarHBondContact O-N 3.32Š| ||
| 232 | G | 43.7 | Very low | 50.7 | Low | 66 Ų | 66 | 129.1 Ų | 129.1 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | trans | -69.3 | 148.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S234 | G232-S234 PolarHBondContact O-N 3.2Å; G232-S234 VanDerWaalsContact O-N 3.13Å | ||
| 233 | D | 47.2 | Very low | 49.7 | Very low | 177 Ų | 177 | 129.1 Ų | 129.1 | 95% | 0.947 | 77% | 0.77 | S | S | * | * | trans | -62.8 | 108.4 | -179.1 | -63.2 | -78 | 0 | 0 | 0 | 112.7 | ||||
| 234 | S | 44.1 | Very low | 48.9 | Very low | 109 Ų | 109 | 124.2 Ų | 124.2 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | trans | -152.6 | 102.1 | 157.8 | 66.7 | 0 | 0 | 0 | 0 | 111.7 | G232 | G232-S234 PolarHBondContact O-N 3.2Å; G232-S234 VanDerWaalsContact O-N 3.13Å | ||
| 235 | A | 46.3 | Very low | 48.2 | Very low | 94 Ų | 94 | 128.9 Ų | 128.9 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | trans | 31.4 | 136.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | Y237 | A235-Y237 PolarHBondContact O-N 3.27Š| ||
| 236 | P | 47.7 | Very low | 47.7 | Very low | 138 Ų | 138 | 125.5 Ų | 125.5 | 90% | 0.896 | 78% | 0.781 | S | S | * | * | trans | -76.8 | 107.4 | 176.5 | 32.2 | -33.5 | 0 | 0 | 0 | 112.1 | ||||
| 237 | Y | 38.5 | Very low | 47.2 | Very low | 210 Ų | 210 | 123.6 Ų | 123.6 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | -103.4 | 106.5 | 157.2 | -170.2 | -95 | 0 | 0 | 0 | 109.2 | A235 P239 | A235-Y237 PolarHBondContact O-N 3.27Å; Y237-P239 WeakPolarHBondContact O-CD 3.49Å | ||
| 238 | A | 51.8 | Low | 46.5 | Very low | 85 Ų | 85 | 131.5 Ų | 131.5 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | trans | -77.7 | 121.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | A240 | A238-A240 PolarHBondContact O-N 3.41Š| ||
| 239 | P | 43.9 | Very low | 45.7 | Very low | 86 Ų | 86 | 126.1 Ų | 126.1 | 56% | 0.558 | 79% | 0.79 | S | S | * | * | trans | -77 | 111.8 | 169.2 | 30.3 | -30.7 | 0 | 0 | 0 | 109.6 | Y237 Y241 | Y237-P239 WeakPolarHBondContact O-CD 3.49Å; P239-Y241 HydrophobicContact CB-CD1 4.25Å; P239-Y241 HydrophobicContact CB-CE1 3.78Å; P239-Y241 PolarHBondContact O-N 3.11Å | ||
| 240 | A | 46.1 | Very low | 45.3 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | trans | -75.4 | 87.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | A238 | A238-A240 PolarHBondContact O-N 3.41Š| ||
| 241 | Y | 42.1 | Very low | 45.1 | Very low | 178 Ų | 178 | 131.9 Ų | 131.9 | 70% | 0.698 | 79% | 0.792 | S | S | * | * | trans | -151.5 | 115.9 | 153.6 | 49.4 | -91.8 | 0 | 0 | 0 | 110.7 | P239 V243 | P239-Y241 HydrophobicContact CB-CD1 4.25Å; P239-Y241 HydrophobicContact CB-CE1 3.78Å; P239-Y241 PolarHBondContact O-N 3.11Å; Y241-V243 HydrophobicContact CD2-CG2 4.23Å; Y241-V243 PolarHBondContact O-N 3.39Å | ||
| 242 | G | 54 | Low | 44.5 | Very low | 86 Ų | 86 | 128.9 Ų | 128.9 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | trans | -74.4 | 115.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 243 | V | 43.7 | Very low | 44.6 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | -117.5 | 115.4 | 161.6 | 177.6 | 0 | 0 | 0 | 0 | 106.4 | Y241 | Y241-V243 HydrophobicContact CD2-CG2 4.23Å; Y241-V243 PolarHBondContact O-N 3.39Å | ||
| 244 | G | 43.3 | Very low | 44.8 | Very low | 66 Ų | 66 | 133.3 Ų | 133.3 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | trans | -62.4 | 145.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N246 | G244-N246 PolarHBondContact O-N 2.99Š| ||
| 245 | L | 48.4 | Very low | 44.7 | Very low | 177 Ų | 177 | 132.8 Ų | 132.8 | 93% | 0.927 | 79% | 0.792 | S | S | * | * | trans | -58.9 | 107.3 | 160.6 | -92.5 | 68.4 | 0 | 0 | 0 | 108.5 | ||||
| 246 | N | 37.9 | Very low | 44.4 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -113.4 | 116.1 | 152 | -91.4 | -39 | 0 | 0 | 0 | 107.7 | G244 Y248 | G244-N246 PolarHBondContact O-N 2.99Å; N246-Y248 PolarHBondContact O-N 2.75Å | ||
| 247 | A | 43.7 | Very low | 44.7 | Very low | 100 Ų | 100 | 138.2 Ų | 138.2 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -58.8 | 136.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109 | G249 | A247-G249 PolarHBondContact O-N 3.03Š| ||
| 248 | Y | 41.3 | Very low | 45 | Very low | 233 Ų | 233 | 131.5 Ų | 131.5 | 91% | 0.914 | 79% | 0.786 | S | S | * | * | trans | -62.4 | 102 | -176.3 | -83.5 | -90 | 0 | 0 | 0 | 111.6 | N246 Y250 | N246-Y248 PolarHBondContact O-N 2.75Å; Y248-Y250 PolarHBondContact O-N 3.25Å | ||
| 249 | G | 41.2 | Very low | 44.4 | Very low | 66 Ų | 66 | 138.9 Ų | 138.9 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | trans | -63.6 | 102.1 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | A247 N251 | A247-G249 PolarHBondContact O-N 3.03Å; G249-N251 VanDerWaalsContact C-N 3.26Å; G249-N251 PolarHBondContact O-N 3.21Å | ||
| 250 | Y | 39.6 | Very low | 44.7 | Very low | 217 Ų | 217 | 138.8 Ų | 138.8 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -73.9 | 80 | 175.3 | -168.8 | -86.3 | 0 | 0 | 0 | 109.2 | Y248 | Y248-Y250 PolarHBondContact O-N 3.25Š|
| 251 | N | 47.1 | Very low | 44.4 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | trans | 162.6 | 87.5 | 155.5 | -86.2 | -39.9 | 0 | 0 | 0 | 110.4 | G249 | G249-N251 VanDerWaalsContact C-N 3.26Å; G249-N251 PolarHBondContact O-N 3.21Å | ||
| 252 | A | 44 | Very low | 44.3 | Very low | 96 Ų | 96 | 134 Ų | 134 | 79% | 0.793 | 82% | 0.816 | S | S | * | * | trans | -145.7 | 82.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 253 | Y | 45.1 | Very low | 43.6 | Very low | 221 Ų | 221 | 134.6 Ų | 134.6 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -81 | 135.9 | 166.1 | -88.5 | -90.9 | 0 | 0 | 0 | 109.2 | A255 | Y253-A255 PolarHBondContact O-N 3.09Š|
| 254 | P | 51.4 | Low | 43.5 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 74% | 0.74 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 125.4 | 170.7 | 29.2 | -32.3 | 0 | 0 | 0 | 109.3 | Y256 | P254-Y256 PolarHBondContact O-N 3.21Š|
| 255 | A | 41.6 | Very low | 43.6 | Very low | 98 Ų | 98 | 136.9 Ų | 136.9 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 123.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y253 | Y253-A255 PolarHBondContact O-N 3.09Š|
| 256 | Y | 41 | Very low | 43.7 | Very low | 223 Ų | 223 | 134.5 Ų | 134.5 | 88% | 0.875 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 130.4 | 166.8 | -100.1 | -96.5 | 0 | 0 | 0 | 109.6 | P254 | P254-Y256 PolarHBondContact O-N 3.21Š|
| 257 | P | 53.4 | Low | 43.8 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 124.8 | 174.1 | 30.8 | -31.8 | 0 | 0 | 0 | 110.3 | ||
| 258 | G | 43.6 | Very low | 43.5 | Very low | 68 Ų | 68 | 136.6 Ų | 136.6 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | trans | 107.1 | 83.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 259 | Y | 40.6 | Very low | 43.3 | Very low | 241 Ų | 241 | 130.7 Ų | 130.7 | 95% | 0.945 | 81% | 0.809 | S | S | * | * | -165.4 | 138 | 112 | -115.8 | -87.9 | 0 | 0 | 0 | 108.4 | |||||
| 260 | G | 50.3 | Low | 43 | Very low | 83 Ų | 83 | 133.7 Ų | 133.7 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | trans | -72.7 | 133.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 261 | G | 38.4 | Very low | 42.8 | Very low | 75 Ų | 75 | 129.9 Ų | 129.9 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | -170.2 | 130.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 262 | A | 41.3 | Very low | 42.3 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 88% | 0.884 | 82% | 0.816 | S | S | * | * | trans | -56.8 | 138.4 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | C264 | A262-C264 PolarHBondContact O-N 3.49Š| ||
| 263 | A | 38.4 | Very low | 42 | Very low | 100 Ų | 100 | 127.2 Ų | 127.2 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | trans | -72.4 | 120.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 264 | C | 41.3 | Very low | 41.7 | Very low | 126 Ų | 126 | 126.8 Ų | 126.8 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | trans | -92.6 | 109.8 | 168.9 | 54.7 | 0 | 0 | 0 | 0 | 110.7 | A262 | A262-C264 PolarHBondContact O-N 3.49Š| ||
| 265 | S | 46.1 | Very low | 41.6 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | -78 | 143.3 | 169.7 | -66.7 | 0 | 0 | 0 | 0 | 111.3 | G267 | S265-G267 PolarHBondContact O-N 3.41Š| ||
| 266 | P | 51.1 | Low | 41.5 | Very low | 127 Ų | 127 | 129.5 Ų | 129.5 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -85.1 | 101.6 | 176 | 32.8 | -31.3 | 0 | 0 | 0 | 110.8 | ||||
| 267 | G | 38.5 | Very low | 41.5 | Very low | 70 Ų | 70 | 122.1 Ų | 122.1 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | trans | -125.2 | 104 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | S265 S269 | S265-G267 PolarHBondContact O-N 3.41Å; G267-S269 PolarHBondContact O-N 3.03Å | ||
| 268 | Y | 39.2 | Very low | 41.4 | Very low | 228 Ų | 228 | 122.6 Ų | 122.6 | 89% | 0.894 | 82% | 0.815 | S | S | * | * | trans | -79.3 | 116.1 | 172.5 | -71.5 | -89.9 | 0 | 0 | 0 | 110.2 | ||||
| 269 | S | 36.2 | Very low | 41.4 | Very low | 109 Ų | 109 | 124.9 Ų | 124.9 | 76% | 0.762 | 82% | 0.821 | S | S | * | * | trans | -149.2 | 119.6 | 154.8 | 54.8 | 0 | 0 | 0 | 0 | 109.8 | G267 | G267-S269 PolarHBondContact O-N 3.03Š| ||
| 270 | C | 33.9 | Very low | 41.8 | Very low | 128 Ų | 128 | 119 Ų | 119 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | trans | -102.5 | 106.3 | 179.9 | -61.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 271 | T | 37.2 | Very low | 41.2 | Very low | 138 Ų | 138 | 119.8 Ų | 119.8 | 85% | 0.847 | 81% | 0.811 | S | S | * | * | trans | -118.7 | 105.2 | 161.9 | 41.6 | 0 | 0 | 0 | 0 | 108.7 | A273 | T271-A273 PolarHBondContact O-N 3.24Š| ||
| 272 | A | 36 | Very low | 41.3 | Very low | 86 Ų | 86 | 125 Ų | 125 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | trans | -79.9 | 113.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 273 | A | 37.1 | Very low | 41.7 | Very low | 95 Ų | 95 | 126.1 Ų | 126.1 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 122.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | T271 | T271-A273 PolarHBondContact O-N 3.24Š|
| 274 | Y | 39.4 | Very low | 41.4 | Very low | 211 Ų | 211 | 125.4 Ų | 125.4 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -81 | 131.9 | 179.1 | -17.3 | -93.3 | 0 | 0 | 0 | 110.1 | ||
| 275 | P | 49 | Very low | 41.2 | Very low | 125 Ų | 125 | 126.1 Ų | 126.1 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 133.1 | 166.5 | 30.9 | -31.2 | 0 | 0 | 0 | 110.4 | ||
| 276 | T | 40.1 | Very low | 40.5 | Very low | 144 Ų | 144 | 126 Ų | 126 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 138.5 | 178.2 | 34.2 | 0 | 0 | 0 | 0 | 112.3 | ||
| 277 | G | 41 | Very low | 39.6 | Very low | 69 Ų | 69 | 124.7 Ų | 124.7 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 157.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 278 | P | 50.3 | Low | 39.5 | Very low | 133 Ų | 133 | 125.6 Ų | 125.6 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 148.4 | 178.6 | 33.2 | -34.3 | 0 | 0 | 0 | 112.9 | ||
| 279 | S | 42.8 | Very low | 39.4 | Very low | 117 Ų | 117 | 121.3 Ų | 121.3 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 146.1 | 177.7 | -176.3 | 0 | 0 | 0 | 0 | 112.3 | ||
| 280 | P | 49.4 | Very low | 39.6 | Very low | 117 Ų | 117 | 122.5 Ų | 122.5 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | trans | -110 | 140.6 | 160.3 | 35.6 | -26.5 | 0 | 0 | 0 | 112.5 | ||||
| 281 | A | 37.4 | Very low | 39.8 | Very low | 100 Ų | 100 | 122.6 Ų | 122.6 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | -84.7 | 156.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 282 | Q | 40.6 | Very low | 39.8 | Very low | 185 Ų | 185 | 124.6 Ų | 124.6 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -119 | 161.8 | 157.9 | -63.4 | -161.6 | -42.5 | 0 | 0 | 109.1 | ||||
| 283 | P | 49.6 | Very low | 40.2 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | -148.8 | -177.8 | 90.2 | 38 | -19.7 | 0 | 0 | 0 | 116.1 | |||||
| 284 | A | 34 | Very low | 40.2 | Very low | 86 Ų | 86 | 127.6 Ų | 127.6 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | 95.9 | 88.8 | 157.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 285 | T | 36 | Very low | 40 | Very low | 140 Ų | 140 | 126.4 Ų | 126.4 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | 35.1 | 122.1 | 126.1 | 58 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 286 | A | 32.5 | Very low | 39.6 | Very low | 108 Ų | 108 | 123.8 Ų | 123.8 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | -168.6 | 159 | 123.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 287 | A | 32.2 | Very low | 39.4 | Very low | 100 Ų | 100 | 124.1 Ų | 124.1 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | trans | -74.7 | 168 | -163.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 288 | A | 36.3 | Very low | 39.1 | Very low | 90 Ų | 90 | 123.9 Ų | 123.9 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | trans | 109.2 | 122.2 | 136.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 289 | N | 35.9 | Very low | 38.6 | Very low | 137 Ų | 137 | 125.3 Ų | 125.3 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | trans | 85.4 | 110.8 | 142.6 | -77.4 | -20.8 | 0 | 0 | 0 | 123.1 | ||||
| 290 | N | 40.6 | Very low | 38.4 | Very low | 134 Ų | 134 | 127.5 Ų | 127.5 | 72% | 0.717 | 79% | 0.785 | S | S | * | * | 72.8 | 145.6 | 129.8 | -63.8 | -32.9 | 0 | 0 | 0 | 120.8 | |||||
| 291 | N | 38.7 | Very low | 37.7 | Very low | 130 Ų | 130 | 129 Ų | 129 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | cis | -171 | 148 | -27 | -155.5 | -5.7 | 0 | 0 | 0 | 108.4 | ||||
| 292 | F | 36.3 | Very low | 37.7 | Very low | 180 Ų | 180 | 128.6 Ų | 128.6 | 79% | 0.789 | 78% | 0.783 | S | S | * | * | trans | 60.9 | 145.5 | 158.9 | -114.4 | -133 | 0 | 0 | 0 | 118.8 | ||||
| 293 | V | 45.9 | Very low | 37.7 | Very low | 93 Ų | 93 | 126.5 Ų | 126.5 | 56% | 0.564 | 78% | 0.782 | S | S | * | * | cis | -146.1 | 151.6 | -3.6 | -131.9 | 0 | 0 | 0 | 0 | 109.7 | F295 | V293-F295 HydrophobicContact CB-CD2 4.49Å; V293-F295 HydrophobicContact CG1-CD2 4.15Å; V293-F295 HydrophobicContact CG1-CE2 3.9Å | ||
| 294 | N | 36.4 | Very low | 37 | Very low | 152 Ų | 152 | 128.8 Ų | 128.8 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -118.7 | 139.2 | 162.4 | -175.8 | 21 | 0 | 0 | 0 | 108.3 | ||||
| 295 | F | 33.9 | Very low | 37.1 | Very low | 185 Ų | 185 | 130 Ų | 130 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -129.7 | 116.4 | 173 | -93.8 | -80 | 0 | 0 | 0 | 109.9 | V293 | V293-F295 HydrophobicContact CB-CD2 4.49Å; V293-F295 HydrophobicContact CG1-CD2 4.15Å; V293-F295 HydrophobicContact CG1-CE2 3.9Å | ||
| 296 | G | 41.6 | Very low | 37.9 | Very low | 71 Ų | 71 | 129.2 Ų | 129.2 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | trans | -133.3 | 129.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 297 | V | 36.4 | Very low | 37.8 | Very low | 150 Ų | 150 | 127.4 Ų | 127.4 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | trans | -155.3 | 139.2 | 165.5 | -174.2 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 298 | G | 34.3 | Very low | 38.2 | Very low | 65 Ų | 65 | 130.7 Ų | 130.7 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | cis | 169.4 | 155.5 | -2.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 299 | D | 38.7 | Very low | 38.9 | Very low | 163 Ų | 163 | 132.2 Ų | 132.2 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | -57.7 | 149 | 177.2 | -82.8 | -88 | 0 | 0 | 0 | 113.7 | ||||
| 300 | L | 39.1 | Very low | 39.3 | Very low | 163 Ų | 163 | 135.1 Ų | 135.1 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | 180 | 115.8 | 135.5 | -98.7 | 169.5 | 0 | 0 | 0 | 109.4 | ||||
| 301 | N | 35.1 | Very low | 39.2 | Very low | 149 Ų | 149 | 134.3 Ų | 134.3 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | 159 | 137.9 | 101.1 | -149.5 | -11.9 | 0 | 0 | 0 | 111.1 | |||||
| 302 | A | 36.5 | Very low | 39.1 | Very low | 90 Ų | 90 | 135.2 Ų | 135.2 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | trans | -127.3 | 130.2 | -179 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 303 | V | 41.3 | Very low | 39.4 | Very low | 141 Ų | 141 | 131.5 Ų | 131.5 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | -133.6 | 136.7 | 170.1 | 160 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 304 | Q | 35 | Very low | 39.2 | Very low | 177 Ų | 177 | 130.9 Ų | 130.9 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | trans | -98.2 | 131.3 | -171.8 | -67.6 | 176.2 | -10.3 | 0 | 0 | 112.8 | ||||
| 305 | S | 36.5 | Very low | 39.4 | Very low | 111 Ų | 111 | 129.8 Ų | 129.8 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | 64 | 167.1 | 134 | -60.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 306 | P | 52.5 | Low | 39.9 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | cis | -132 | 159.2 | 1.8 | 38.6 | -21.8 | 0 | 0 | 0 | 117.5 | ||||
| 307 | G | 30.8 | Very low | 40.1 | Very low | 69 Ų | 69 | 128.2 Ų | 128.2 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | 89 | 115.8 | 130.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 308 | I | 40.2 | Very low | 40.8 | Very low | 170 Ų | 170 | 129 Ų | 129 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | 175.3 | 146.4 | 127.7 | -93 | 166.6 | 0 | 0 | 0 | 108.6 | |||||
| 309 | P | 51.6 | Low | 41.7 | Very low | 122 Ų | 122 | 134 Ų | 134 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | trans | -96.5 | 174 | -149.6 | 37.1 | -36.6 | 0 | 0 | 0 | 117 | ||||
| 310 | Q | 44.4 | Very low | 42 | Very low | 198 Ų | 198 | 129.4 Ų | 129.4 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | trans | -49 | 146.2 | 178.8 | -61.4 | 173.3 | -20.8 | 0 | 0 | 115.2 | ||||
| 311 | S | 37.1 | Very low | 42.1 | Very low | 116 Ų | 116 | 129.6 Ų | 129.6 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | -149.3 | 136.4 | 144.1 | 59.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 312 | N | 38 | Very low | 42.9 | Very low | 150 Ų | 150 | 132.9 Ų | 132.9 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | 47 | 98 | 164.4 | -78.5 | -15.3 | 0 | 0 | 0 | 121.3 | ||||
| 313 | S | 41.4 | Very low | 43.1 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | 2 | 117.1 | 119.6 | 30.5 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 314 | G | 41.3 | Very low | 43.6 | Very low | 80 Ų | 80 | 140.8 Ų | 140.8 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -70.7 | 132.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 315 | V | 42.6 | Very low | 44 | Very low | 129 Ų | 129 | 139 Ų | 139 | 78% | 0.782 | 81% | 0.813 | S | S | * | * | trans | -116.7 | 96.9 | 165.9 | -166 | 0 | 0 | 0 | 0 | 107.4 | T317 | V315-T317 PolarHBondContact O-N 3.4Š| ||
| 316 | S | 42.6 | Very low | 44.4 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -67.6 | 100 | -179.7 | -75.2 | 0 | 0 | 0 | 0 | 111.1 | L318 | S316-L318 PolarHBondContact O-N 3.43Å; S316-L318 VanDerWaalsContact O-N 3.07Å | ||
| 317 | T | 47.6 | Very low | 44 | Very low | 104 Ų | 104 | 141.3 Ų | 141.3 | 64% | 0.638 | 82% | 0.815 | S | S | * | * | trans | -72.1 | 102.1 | 177.6 | -47.8 | 0 | 0 | 0 | 0 | 110.9 | V315 H319 | V315-T317 PolarHBondContact O-N 3.4Å; T317-H319 VanDerWaalsContact C-N 3.29Å; T317-H319 WeakPolarHBondContact CG2-CE1 3.32Å; T317-H319 PolarHBondContact O-N 3.31Å; T317-H319 PolarHBondContact O-ND1 3.48Å | ||
| 318 | L | 49.8 | Very low | 44.7 | Very low | 167 Ų | 167 | 145.6 Ų | 145.6 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | -59 | 80.8 | 174.6 | -92.1 | 161.8 | 0 | 0 | 0 | 112.7 | S316 | S316-L318 PolarHBondContact O-N 3.43Å; S316-L318 VanDerWaalsContact O-N 3.07Å | ||
| 319 | H | 53.2 | Low | 45 | Very low | 170 Ų | 170 | 144.1 Ų | 144.1 | 79% | 0.787 | 82% | 0.818 | S | S | * | * | trans | -85.6 | 116.3 | 166.9 | -73.9 | 90 | 0 | 0 | 0 | 109.8 | T317 | T317-H319 VanDerWaalsContact C-N 3.29Å; T317-H319 WeakPolarHBondContact CG2-CE1 3.32Å; T317-H319 PolarHBondContact O-N 3.31Å; T317-H319 PolarHBondContact O-ND1 3.48Å | ||
| 320 | G | 44.8 | Very low | 44.6 | Very low | 67 Ų | 67 | 145.5 Ų | 145.5 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | trans | 142.7 | 10 | 157.4 | 0 | 0 | 0 | 0 | 0 | 120 | R322 | G320-R322 PolarHBondContact O-N 3.43Š| ||
| 321 | I | 42.3 | Very low | 44.6 | Very low | 166 Ų | 166 | 141.8 Ų | 141.8 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | trans | -77.7 | 81.4 | 169 | -51.6 | -178.5 | 0 | 0 | 0 | 109.5 | A323 | I321-A323 PolarHBondContact O-N 2.65Š| ||
| 322 | R | 51.6 | Low | 45.2 | Very low | 219 Ų | 219 | 143.8 Ų | 143.8 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | -83.4 | 100.4 | 162.1 | -78.7 | 179 | 171.5 | -106.2 | -0.3 | 108.4 | G320 | G320-R322 PolarHBondContact O-N 3.43Š| ||
| 323 | A | 41.4 | Very low | 45.8 | Very low | 97 Ų | 97 | 143.3 Ų | 143.3 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | trans | -57.5 | 143.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | I321 | I321-A323 PolarHBondContact O-N 2.65Š| ||
| 324 | W | 50.5 | Low | 46.2 | Very low | 300 Ų | 300 | 147.1 Ų | 147.1 | 100% | 1.136 | 82% | 0.822 | S | S | * | * | trans | -116.9 | 0 | 174.2 | -77 | 81.7 | 0 | 0 | 0 | 109.5 |
Retrieved 324 of 324 residues in 98.7 ms
(Link to these results)