| 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 | 43 | Very low | 56.1 | Low | 242 Ų | 242 | 134.2 Ų | 134.2 | 100% | 1.192 | 68% | 0.676 | S | S | * | * | 0 | 110.2 | 0 | -92.9 | 165.6 | 147.6 | 0 | 0 | 108.3 | |||||
| 2 | K | 49.1 | Very low | 57.4 | Low | 190 Ų | 190 | 135.3 Ų | 135.3 | 83% | 0.826 | 69% | 0.685 | S | S | * | * | trans | -100.7 | 123 | 160.9 | -79.8 | -172.2 | 173 | -167.6 | 0 | 105.3 | ||||
| 3 | T | 52.9 | Low | 58.9 | Low | 87 Ų | 87 | 128.5 Ų | 128.5 | 53% | 0.534 | 65% | 0.65 | S | S | . | * | trans | -69.6 | 140.2 | -169.3 | 43.4 | 0 | 0 | 0 | 0 | 110.6 | D5 E6 | T3-D5 PolarHBondContact O-N 3.36Å; T3-E6 PolarHBondContact O-N 3.04Å | ||
| 4 | E | 57.6 | Low | 60.3 | Low | 164 Ų | 164 | 123.4 Ų | 123.4 | 77% | 0.766 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -6.8 | -178.6 | -64.4 | 175 | 165.5 | 0 | 0 | 113.1 | E6 T7 | E4-E6 PolarHBondContact O-N 3.29Å; E4-T7 PolarHBondContact O-OG1 3.03Å |
| 5 | D | 55.6 | Low | 61.5 | Low | 115 Ų | 115 | 123.7 Ų | 123.7 | 62% | 0.615 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -70.3 | -26.1 | 177 | -63.1 | -35.3 | 0 | 0 | 0 | 114.1 | T3 T7 | T3-D5 PolarHBondContact O-N 3.36Å; D5-T7 VanDerWaalsContact C-N 3.31Å; D5-T7 PolarHBondContact O-N 3.26Å |
| 6 | E | 57.5 | Low | 62.8 | Low | 129 Ų | 129 | 122.7 Ų | 122.7 | 60% | 0.603 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -73.2 | -25.1 | -179.4 | -74.9 | -172.4 | 166.2 | 0 | 0 | 112.8 | T3 E4 | T3-E6 PolarHBondContact O-N 3.04Å; E4-E6 PolarHBondContact O-N 3.29Å |
| 7 | T | 56.6 | Low | 63.7 | Low | 92 Ų | 92 | 121 Ų | 121 | 56% | 0.564 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -82 | -33.1 | -178.2 | 43.4 | 0 | 0 | 0 | 0 | 112.5 | E4 D5 K10 | E4-T7 PolarHBondContact O-OG1 3.03Å; D5-T7 VanDerWaalsContact C-N 3.31Å; D5-T7 PolarHBondContact O-N 3.26Å; T7-K10 PolarHBondContact O-N 3.43Å |
| 8 | N | 56.1 | Low | 64.6 | Low | 97 Ų | 97 | 117.3 Ų | 117.3 | 52% | 0.519 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -74.6 | -33.1 | -177.6 | -64.7 | -18.8 | 0 | 0 | 0 | 111.9 | K10 L11 | N8-K10 PolarHBondContact O-N 3.24Å; N8-K10 VanDerWaalsContact O-N 3.09Å; N8-L11 PolarHBondContact O-N 2.84Å; N8-L11 VanDerWaalsContact O-N 3.17Å |
| 9 | N | 60.7 | Low | 65.4 | Low | 121 Ų | 121 | 114.7 Ų | 114.7 | 65% | 0.647 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -11.6 | 175.9 | -102.2 | -25.4 | 0 | 0 | 0 | 114.8 | ||
| 10 | K | 62.1 | Low | 66.3 | Low | 97 Ų | 97 | 116 Ų | 116 | 42% | 0.422 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.5 | -18 | 175.8 | -73.1 | -168.4 | 173.5 | -174 | 0 | 114 | T7 N8 M13 | T7-K10 PolarHBondContact O-N 3.43Å; N8-K10 PolarHBondContact O-N 3.24Å; N8-K10 VanDerWaalsContact O-N 3.09Å; K10-M13 HydrophobicContact CB-CE 3.99Å; K10-M13 HydrophobicContact CG-CE 3.59Å |
| 11 | L | 65.4 | Low | 67 | Low | 142 Ų | 142 | 113.5 Ų | 113.5 | 74% | 0.743 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -29.2 | -176.1 | -70.1 | 169.9 | 0 | 0 | 0 | 112.5 | N8 | N8-L11 PolarHBondContact O-N 2.84Å; N8-L11 VanDerWaalsContact O-N 3.17Å |
| 12 | D | 71.7 | Confident | 68.8 | Low | 148 Ų | 148 | 105.8 Ų | 105.8 | 79% | 0.791 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -89.4 | -0.8 | -178.7 | -64.3 | -26.4 | 0 | 0 | 0 | 114.1 | ||
| 13 | M | 76.7 | Confident | 70.3 | Confident | 47 Ų | 47 | 102.8 Ų | 102.8 | 23% | 0.232 | 53% | 0.527 | C | S | . | . | S | Bend | trans | -85.8 | 140.8 | -178.3 | -71.7 | -165 | -71.2 | 0 | 0 | 112.5 | K10 E17 I18 L21 | K10-M13 HydrophobicContact CB-CE 3.99Å; K10-M13 HydrophobicContact CG-CE 3.59Å; M13-E17 HydrophobicContact CB-CB 4.19Å; M13-E17 HydrophobicContact SD-CB 4.27Å; M13-I18 HydrophobicContact CB-CD1 4.37Å; M13-I18 HydrophobicContact CB-CG1 3.85Å; M13-I18 HydrophobicContact CE-CG1 4.1Å; M13-L21 HydrophobicContact CE-CD1 3.5Å; M13-L21 HydrophobicContact SD-CD1 3.26Å; M13-L21 WeakPolarHBondContact SD-CD1 3.35Å |
| 14 | S | 79.1 | Confident | 71.6 | Confident | 57 Ų | 57 | 104.7 Ų | 104.7 | 40% | 0.399 | 53% | 0.528 | S | S | . | . | trans | -63.3 | 151.9 | 168.5 | 66.7 | 0 | 0 | 0 | 0 | 111.1 | D16 E17 I18 | S14-D16 PolarHBondContact O-N 3.43Å; S14-D16 VanDerWaalsContact O-N 3.11Å; S14-E17 WeakPolarHBondContact CB-OE2 3.27Å; S14-E17 PolarHBondContact N-OE2 3.42Å; S14-E17 WeakPolarHBondContact O-CB 3.44Å; S14-E17 PolarHBondContact O-N 2.94Å; S14-E17 VanDerWaalsContact OG-CG 3.26Å; S14-E17 WeakPolarHBondContact OG-CG 3.47Å; S14-E17 PolarHBondContact OG-N 2.82Å; S14-E17 PolarHBondContact OG-OE2 3.3Å; S14-I18 PolarHBondContact O-N 3.4Å; S14-I18 VanDerWaalsContact O-N 3.09Å | ||
| 15 | L | 78.5 | Confident | 72.6 | Confident | 128 Ų | 128 | 101.5 Ų | 101.5 | 67% | 0.67 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -54 | -35.3 | 178.4 | -174.2 | 66.5 | 0 | 0 | 0 | 112.2 | I18 I19 | L15-I18 PolarHBondContact O-N 3.44Å; L15-I19 HydrophobicContact CG-CD1 4.08Å; L15-I19 WeakPolarHBondContact O-CD1 3.5Å; L15-I19 VanDerWaalsContact O-CG1 3.24Å; L15-I19 WeakPolarHBondContact O-CG1 3.45Å; L15-I19 PolarHBondContact O-N 2.86Å |
| 16 | D | 82.1 | Confident | 73.5 | Confident | 107 Ų | 107 | 98.7 Ų | 98.7 | 57% | 0.572 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.5 | -36.2 | 177.5 | -81.7 | -10.9 | 0 | 0 | 0 | 113.1 | S14 K20 | S14-D16 PolarHBondContact O-N 3.43Å; S14-D16 VanDerWaalsContact O-N 3.11Å; D16-K20 WeakPolarHBondContact O-CB 3.09Å; D16-K20 VanDerWaalsContact O-CG 3.23Å; D16-K20 WeakPolarHBondContact O-CG 3.27Å; D16-K20 PolarHBondContact O-N 3.11Å |
| 17 | E | 78.5 | Confident | 74.3 | Confident | 94 Ų | 94 | 101.3 Ų | 101.3 | 44% | 0.439 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.9 | -41.1 | 176.2 | -73.6 | 164.5 | 148.6 | 0 | 0 | 111.3 | M13 S14 I19 K20 L21 | M13-E17 HydrophobicContact CB-CB 4.19Å; M13-E17 HydrophobicContact SD-CB 4.27Å; S14-E17 WeakPolarHBondContact CB-OE2 3.27Å; S14-E17 PolarHBondContact N-OE2 3.42Å; S14-E17 WeakPolarHBondContact O-CB 3.44Å; S14-E17 PolarHBondContact O-N 2.94Å; S14-E17 VanDerWaalsContact OG-CG 3.26Å; S14-E17 WeakPolarHBondContact OG-CG 3.47Å; S14-E17 PolarHBondContact OG-N 2.82Å; S14-E17 PolarHBondContact OG-OE2 3.3Å; E17-I19 PolarHBondContact O-N 2.94Å; E17-K20 PolarHBondContact O-N 3.08Å; E17-L21 WeakPolarHBondContact O-CB 3.05Å; E17-L21 WeakPolarHBondContact O-CG 3.26Å; E17-L21 PolarHBondContact O-N 3.24Å |
| 18 | I | 79.7 | Confident | 75.3 | Confident | 54 Ų | 54 | 103.3 Ų | 103.3 | 28% | 0.277 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.8 | -48.2 | 173.6 | -62.4 | 171.5 | 0 | 0 | 0 | 110 | M13 S14 L15 K20 L21 D22 | M13-I18 HydrophobicContact CB-CD1 4.37Å; M13-I18 HydrophobicContact CB-CG1 3.85Å; M13-I18 HydrophobicContact CE-CG1 4.1Å; S14-I18 PolarHBondContact O-N 3.4Å; S14-I18 VanDerWaalsContact O-N 3.09Å; L15-I18 PolarHBondContact O-N 3.44Å; I18-K20 VanDerWaalsContact C-N 3.32Å; I18-K20 PolarHBondContact O-N 3.14Å; I18-L21 PolarHBondContact O-N 2.9Å; I18-D22 PolarHBondContact O-N 2.83Å |
| 19 | I | 79.2 | Confident | 76.1 | Confident | 68 Ų | 68 | 103.3 Ų | 103.3 | 35% | 0.349 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.3 | -38.6 | 178.1 | -69.1 | 166.3 | 0 | 0 | 0 | 111.7 | L15 E17 K23 | L15-I19 HydrophobicContact CG-CD1 4.08Å; L15-I19 WeakPolarHBondContact O-CD1 3.5Å; L15-I19 VanDerWaalsContact O-CG1 3.24Å; L15-I19 WeakPolarHBondContact O-CG1 3.45Å; L15-I19 PolarHBondContact O-N 2.86Å; E17-I19 PolarHBondContact O-N 2.94Å; I19-K23 HydrophobicContact CG2-CD 4.23Å; I19-K23 WeakPolarHBondContact O-CB 3.36Å; I19-K23 VanDerWaalsContact O-CG 3.29Å; I19-K23 WeakPolarHBondContact O-CG 3.08Å; I19-K23 PolarHBondContact O-N 3.3Å; I19-K23 VanDerWaalsContact O-N 3.12Å |
| 20 | K | 83.5 | Confident | 76.5 | Confident | 141 Ų | 141 | 104.7 Ų | 104.7 | 61% | 0.613 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.3 | -41.2 | 177 | -76.4 | 168.7 | -172.6 | 168.5 | 0 | 111.5 | D16 E17 I18 K23 K24 | D16-K20 WeakPolarHBondContact O-CB 3.09Å; D16-K20 VanDerWaalsContact O-CG 3.23Å; D16-K20 WeakPolarHBondContact O-CG 3.27Å; D16-K20 PolarHBondContact O-N 3.11Å; E17-K20 PolarHBondContact O-N 3.08Å; I18-K20 VanDerWaalsContact C-N 3.32Å; I18-K20 PolarHBondContact O-N 3.14Å; K20-K23 PolarHBondContact O-N 2.84Å; K20-K24 PolarHBondContact O-N 3.34Å |
| 21 | L | 82.2 | Confident | 76.7 | Confident | 64 Ų | 64 | 109 Ų | 109 | 34% | 0.335 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.8 | -46 | 177.5 | -76.7 | 173.4 | 0 | 0 | 0 | 111.8 | M13 E17 I18 K23 K24 E25 | M13-L21 HydrophobicContact CE-CD1 3.5Å; M13-L21 HydrophobicContact SD-CD1 3.26Å; M13-L21 WeakPolarHBondContact SD-CD1 3.35Å; E17-L21 WeakPolarHBondContact O-CB 3.05Å; E17-L21 WeakPolarHBondContact O-CG 3.26Å; E17-L21 PolarHBondContact O-N 3.24Å; I18-L21 PolarHBondContact O-N 2.9Å; L21-K23 VanDerWaalsContact C-N 3.28Å; L21-K23 PolarHBondContact O-N 3.09Å; L21-K24 CarbonylContact O-C 3.56Å; L21-K24 WeakPolarHBondContact O-CA 3.46Å; L21-K24 WeakPolarHBondContact O-CB 3.36Å; L21-K24 PolarHBondContact O-N 3.32Å; L21-E25 PolarHBondContact O-N 3.35Å |
| 22 | D | 79.7 | Confident | 76.8 | Confident | 80 Ų | 80 | 106.1 Ų | 106.1 | 43% | 0.428 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60 | -40 | 176.6 | -77.4 | -7.7 | 0 | 0 | 0 | 111.6 | I18 K24 E25 A26 | I18-D22 PolarHBondContact O-N 2.83Å; D22-K24 VanDerWaalsContact C-N 3.32Å; D22-K24 PolarHBondContact O-N 2.93Å; D22-E25 PolarHBondContact O-N 3.32Å; D22-A26 VanDerWaalsContact O-CB 3.26Å; D22-A26 WeakPolarHBondContact O-CB 3.34Å; D22-A26 PolarHBondContact O-N 3.16Å |
| 23 | K | 80.9 | Confident | 76.2 | Confident | 126 Ų | 126 | 105.6 Ų | 105.6 | 55% | 0.548 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -36.8 | 173 | -76.9 | 173.6 | -177.8 | 170.8 | 0 | 112.1 | I19 K20 L21 R27 | I19-K23 HydrophobicContact CG2-CD 4.23Å; I19-K23 WeakPolarHBondContact O-CB 3.36Å; I19-K23 VanDerWaalsContact O-CG 3.29Å; I19-K23 WeakPolarHBondContact O-CG 3.08Å; I19-K23 PolarHBondContact O-N 3.3Å; I19-K23 VanDerWaalsContact O-N 3.12Å; K20-K23 PolarHBondContact O-N 2.84Å; L21-K23 VanDerWaalsContact C-N 3.28Å; L21-K23 PolarHBondContact O-N 3.09Å; K23-R27 VanDerWaalsContact O-CG 3.22Å; K23-R27 WeakPolarHBondContact O-CG 3.41Å; K23-R27 PolarHBondContact O-N 2.89Å |
| 24 | K | 81.3 | Confident | 75.4 | Confident | 128 Ų | 128 | 109.2 Ų | 109.2 | 56% | 0.557 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -71.2 | -42.1 | 178.1 | -167.6 | 177.8 | -179.5 | -179 | 0 | 111.3 | K20 L21 D22 R27 K28 | K20-K24 PolarHBondContact O-N 3.34Å; L21-K24 CarbonylContact O-C 3.56Å; L21-K24 WeakPolarHBondContact O-CA 3.46Å; L21-K24 WeakPolarHBondContact O-CB 3.36Å; L21-K24 PolarHBondContact O-N 3.32Å; D22-K24 VanDerWaalsContact C-N 3.32Å; D22-K24 PolarHBondContact O-N 2.93Å; K24-R27 PolarHBondContact O-N 3.2Å; K24-K28 PolarHBondContact O-N 2.99Å; K24-K28 VanDerWaalsContact O-N 3.08Å |
| 25 | E | 78 | Confident | 74.5 | Confident | 97 Ų | 97 | 110.8 Ų | 110.8 | 45% | 0.453 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 175.1 | -72.2 | -171.2 | -178.7 | 0 | 0 | 111.9 | L21 D22 R27 K28 N29 | L21-E25 PolarHBondContact O-N 3.35Å; D22-E25 PolarHBondContact O-N 3.32Å; E25-R27 PolarHBondContact O-N 3.34Å; E25-K28 PolarHBondContact O-N 3.43Å; E25-K28 VanDerWaalsContact O-N 3.08Å; E25-N29 PolarHBondContact O-N 3.27Å |
| 26 | A | 73.1 | Confident | 73.6 | Confident | 55 Ų | 55 | 110.1 Ų | 110.1 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.2 | -35.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D22 K30 | D22-A26 VanDerWaalsContact O-CB 3.26Å; D22-A26 WeakPolarHBondContact O-CB 3.34Å; D22-A26 PolarHBondContact O-N 3.16Å; A26-K30 PolarHBondContact O-N 3.33Å; A26-K30 VanDerWaalsContact O-N 3.08Å |
| 27 | R | 76.1 | Confident | 72.5 | Confident | 185 Ų | 185 | 108 Ų | 108 | 70% | 0.698 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.3 | -40.9 | 174.3 | -74.7 | 171.1 | -178.2 | -168.9 | 1.8 | 112.3 | K23 K24 E25 R31 | K23-R27 VanDerWaalsContact O-CG 3.22Å; K23-R27 WeakPolarHBondContact O-CG 3.41Å; K23-R27 PolarHBondContact O-N 2.89Å; K24-R27 PolarHBondContact O-N 3.2Å; E25-R27 PolarHBondContact O-N 3.34Å; R27-R31 PolarHBondContact O-N 2.78Å; R27-R31 VanDerWaalsContact O-N 3.15Å |
| 28 | K | 77.7 | Confident | 71.5 | Confident | 134 Ų | 134 | 108.3 Ų | 108.3 | 58% | 0.583 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.7 | -46 | 175.1 | -74.1 | -176.9 | 177.6 | -178.1 | 0 | 111.2 | K24 E25 K30 R31 V32 | K24-K28 PolarHBondContact O-N 2.99Å; K24-K28 VanDerWaalsContact O-N 3.08Å; E25-K28 PolarHBondContact O-N 3.43Å; E25-K28 VanDerWaalsContact O-N 3.08Å; K28-K30 PolarHBondContact O-N 2.94Å; K28-R31 PolarHBondContact O-N 3.23Å; K28-R31 VanDerWaalsContact O-N 3.14Å; K28-V32 WeakPolarHBondContact O-CG2 3.4Å; K28-V32 PolarHBondContact O-N 3.12Å |
| 29 | N | 71.9 | Confident | 70.3 | Confident | 97 Ų | 97 | 114.6 Ų | 114.6 | 52% | 0.519 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.1 | -37.4 | -179.9 | -69.4 | -16.3 | 0 | 0 | 0 | 112.5 | E25 V32 Q33 | E25-N29 PolarHBondContact O-N 3.27Å; N29-V32 PolarHBondContact O-N 2.93Å; N29-Q33 WeakPolarHBondContact O-CG 3.38Å; N29-Q33 PolarHBondContact O-N 3.5Å |
| 30 | K | 69.4 | Low | 69.2 | Low | 149 Ų | 149 | 112.9 Ų | 112.9 | 65% | 0.648 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.6 | -40.7 | 171.7 | -87.1 | -175.8 | 176.6 | 178.2 | 0 | 112.9 | A26 K28 Q33 Q34 | A26-K30 PolarHBondContact O-N 3.33Å; A26-K30 VanDerWaalsContact O-N 3.08Å; K28-K30 PolarHBondContact O-N 2.94Å; K30-Q33 PolarHBondContact O-N 3.46Å; K30-Q34 WeakPolarHBondContact O-CG 3.3Å; K30-Q34 PolarHBondContact O-N 3.28Å |
| 31 | R | 66.3 | Low | 67.7 | Low | 188 Ų | 188 | 115.7 Ų | 115.7 | 71% | 0.709 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.5 | -48.1 | 176.1 | -81.2 | -174.2 | 173.4 | -172.6 | -1.4 | 110.9 | R27 K28 Q33 Q34 T35 | R27-R31 PolarHBondContact O-N 2.78Å; R27-R31 VanDerWaalsContact O-N 3.15Å; K28-R31 PolarHBondContact O-N 3.23Å; K28-R31 VanDerWaalsContact O-N 3.14Å; R31-Q33 VanDerWaalsContact C-N 3.34Å; R31-Q33 PolarHBondContact O-N 2.97Å; R31-Q34 PolarHBondContact O-N 3.48Å; R31-Q34 VanDerWaalsContact O-N 3.16Å; R31-T35 PolarHBondContact O-N 2.86Å; R31-T35 PolarHBondContact O-OG1 3.44Å |
| 32 | V | 66.9 | Low | 66.3 | Low | 81 Ų | 81 | 121.9 Ų | 121.9 | 49% | 0.491 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -58.5 | -45.2 | 178.7 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | K28 N29 Q34 T35 I36 | K28-V32 WeakPolarHBondContact O-CG2 3.4Å; K28-V32 PolarHBondContact O-N 3.12Å; N29-V32 PolarHBondContact O-N 2.93Å; V32-Q34 PolarHBondContact O-N 3.33Å; V32-T35 PolarHBondContact O-N 3.23Å; V32-I36 HydrophobicContact CG1-CD1 3.72Å; V32-I36 HydrophobicContact CG1-CG1 4.43Å; V32-I36 VanDerWaalsContact O-CG1 3.26Å; V32-I36 WeakPolarHBondContact O-CG1 3.44Å; V32-I36 PolarHBondContact O-N 2.88Å |
| 33 | Q | 59.5 | Low | 65.1 | Low | 138 Ų | 138 | 124 Ų | 124 | 65% | 0.645 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.6 | -37.8 | 177.5 | -71 | -179.3 | 27.4 | 0 | 0 | 112.9 | N29 K30 R31 A37 | N29-Q33 WeakPolarHBondContact O-CG 3.38Å; N29-Q33 PolarHBondContact O-N 3.5Å; K30-Q33 PolarHBondContact O-N 3.46Å; R31-Q33 VanDerWaalsContact C-N 3.34Å; R31-Q33 PolarHBondContact O-N 2.97Å; Q33-A37 VanDerWaalsContact O-CB 3.25Å; Q33-A37 WeakPolarHBondContact O-CB 3.31Å; Q33-A37 PolarHBondContact O-N 2.9Å |
| 34 | Q | 59.3 | Low | 63.7 | Low | 122 Ų | 122 | 122.5 Ų | 122.5 | 57% | 0.57 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.3 | -42.6 | 174.1 | -76.4 | 178.2 | -1.4 | 0 | 0 | 111.7 | K30 R31 V32 I36 A37 I38 | K30-Q34 WeakPolarHBondContact O-CG 3.3Å; K30-Q34 PolarHBondContact O-N 3.28Å; R31-Q34 PolarHBondContact O-N 3.48Å; R31-Q34 VanDerWaalsContact O-N 3.16Å; V32-Q34 PolarHBondContact O-N 3.33Å; Q34-I36 PolarHBondContact O-N 2.99Å; Q34-A37 PolarHBondContact O-N 3.46Å; Q34-I38 WeakPolarHBondContact O-CB 3.37Å; Q34-I38 WeakPolarHBondContact O-CD1 3.26Å; Q34-I38 WeakPolarHBondContact O-CG1 3.46Å; Q34-I38 PolarHBondContact O-N 2.83Å |
| 35 | T | 61.1 | Low | 62.3 | Low | 91 Ų | 91 | 120.8 Ų | 120.8 | 56% | 0.558 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.9 | -42.4 | 178.6 | -36.5 | 0 | 0 | 0 | 0 | 111.4 | R31 V32 I38 R39 | R31-T35 PolarHBondContact O-N 2.86Å; R31-T35 PolarHBondContact O-OG1 3.44Å; V32-T35 PolarHBondContact O-N 3.23Å; T35-I38 PolarHBondContact O-N 2.85Å; T35-R39 VanDerWaalsContact O-CB 3.3Å; T35-R39 WeakPolarHBondContact O-CB 3.34Å; T35-R39 PolarHBondContact O-N 3.48Å |
| 36 | I | 59.6 | Low | 61 | Low | 113 Ų | 113 | 119.8 Ų | 119.8 | 58% | 0.579 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66.2 | -43.6 | 177 | -63.1 | 167.7 | 0 | 0 | 0 | 110.7 | V32 Q34 I38 R39 G40 | V32-I36 HydrophobicContact CG1-CD1 3.72Å; V32-I36 HydrophobicContact CG1-CG1 4.43Å; V32-I36 VanDerWaalsContact O-CG1 3.26Å; V32-I36 WeakPolarHBondContact O-CG1 3.44Å; V32-I36 PolarHBondContact O-N 2.88Å; Q34-I36 PolarHBondContact O-N 2.99Å; I36-I38 PolarHBondContact O-N 2.92Å; I36-R39 PolarHBondContact O-N 3.47Å; I36-G40 PolarHBondContact O-N 3.35Å |
| 37 | A | 58.8 | Low | 60 | Low | 63 Ų | 63 | 123.7 Ų | 123.7 | 52% | 0.521 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64 | -39.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q33 Q34 R41 | Q33-A37 VanDerWaalsContact O-CB 3.25Å; Q33-A37 WeakPolarHBondContact O-CB 3.31Å; Q33-A37 PolarHBondContact O-N 2.9Å; Q34-A37 PolarHBondContact O-N 3.46Å; A37-R41 WeakPolarHBondContact O-CB 3.49Å; A37-R41 PolarHBondContact O-N 3.37Å; A37-R41 VanDerWaalsContact O-N 3.1Å |
| 38 | I | 57.4 | Low | 58.7 | Low | 100 Ų | 100 | 124.4 Ų | 124.4 | 51% | 0.513 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.2 | -41.2 | 176.4 | -66.4 | 164.3 | 0 | 0 | 0 | 110.6 | Q34 T35 I36 R41 R42 | Q34-I38 WeakPolarHBondContact O-CB 3.37Å; Q34-I38 WeakPolarHBondContact O-CD1 3.26Å; Q34-I38 WeakPolarHBondContact O-CG1 3.46Å; Q34-I38 PolarHBondContact O-N 2.83Å; T35-I38 PolarHBondContact O-N 2.85Å; I36-I38 PolarHBondContact O-N 2.92Å; I38-R41 PolarHBondContact O-N 3.35Å; I38-R42 PolarHBondContact O-N 3.49Å |
| 39 | R | 53.8 | Low | 57.4 | Low | 187 Ų | 187 | 125.9 Ų | 125.9 | 71% | 0.706 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65 | -42.7 | 178.9 | -158.1 | 176.4 | -142.9 | -179.9 | 5.4 | 111.8 | T35 I36 R41 R42 Q43 | T35-R39 VanDerWaalsContact O-CB 3.3Å; T35-R39 WeakPolarHBondContact O-CB 3.34Å; T35-R39 PolarHBondContact O-N 3.48Å; I36-R39 PolarHBondContact O-N 3.47Å; R39-R41 VanDerWaalsContact C-N 3.31Å; R39-R41 PolarHBondContact O-N 3.49Å; R39-R42 PolarHBondContact O-N 2.92Å; R39-Q43 PolarHBondContact O-N 3.47Å |
| 40 | G | 56.2 | Low | 56.3 | Low | 32 Ų | 32 | 129.1 Ų | 129.1 | 33% | 0.33 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68.2 | -27.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | I36 N44 | I36-G40 PolarHBondContact O-N 3.35Å; G40-N44 PolarHBondContact O-ND2 3.31Å |
| 41 | R | 52.8 | Low | 55.6 | Low | 199 Ų | 199 | 131 Ų | 131 | 75% | 0.751 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -78.3 | -34.4 | 175.4 | -142.7 | 178.2 | -168.3 | -167.1 | 2.2 | 112.4 | A37 I38 R39 V45 | A37-R41 WeakPolarHBondContact O-CB 3.49Å; A37-R41 PolarHBondContact O-N 3.37Å; A37-R41 VanDerWaalsContact O-N 3.1Å; I38-R41 PolarHBondContact O-N 3.35Å; R39-R41 VanDerWaalsContact C-N 3.31Å; R39-R41 PolarHBondContact O-N 3.49Å; R41-V45 WeakPolarHBondContact O-CG2 3.48Å; R41-V45 PolarHBondContact O-N 2.9Å |
| 42 | R | 52 | Low | 54.9 | Low | 195 Ų | 195 | 127.2 Ų | 127.2 | 74% | 0.736 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -70.9 | -35.4 | 177.3 | -75.4 | -171.7 | 172.2 | -151.1 | -1.2 | 112.9 | I38 R39 N44 V45 S46 | I38-R42 PolarHBondContact O-N 3.49Å; R39-R42 PolarHBondContact O-N 2.92Å; R42-N44 VanDerWaalsContact C-N 3.33Å; R42-N44 PolarHBondContact O-N 3.35Å; R42-V45 PolarHBondContact O-N 2.91Å; R42-S46 PolarHBondContact O-N 2.87Å |
| 43 | Q | 55.4 | Low | 54.1 | Low | 123 Ų | 123 | 135.1 Ų | 135.1 | 58% | 0.575 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -69.2 | -31.4 | 176.6 | -71.8 | -179.6 | -22.5 | 0 | 0 | 112.9 | R39 V45 | R39-Q43 PolarHBondContact O-N 3.47Å; Q43-V45 VanDerWaalsContact C-N 3.33Å; Q43-V45 PolarHBondContact O-N 3.48Å |
| 44 | N | 50.6 | Low | 53.7 | Low | 95 Ų | 95 | 135.3 Ų | 135.3 | 51% | 0.508 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -81.6 | -6.3 | 177.3 | -78 | -51.2 | 0 | 0 | 0 | 114.2 | G40 R42 Y48 | G40-N44 PolarHBondContact O-ND2 3.31Å; R42-N44 VanDerWaalsContact C-N 3.33Å; R42-N44 PolarHBondContact O-N 3.35Å; N44-Y48 WeakPolarHBondContact O-CD2 3.44Å |
| 45 | V | 52.6 | Low | 52.9 | Low | 92 Ų | 92 | 133.3 Ų | 133.3 | 56% | 0.558 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -98.4 | -28 | 176 | 177.8 | 0 | 0 | 0 | 0 | 111.4 | R41 R42 Q43 | R41-V45 WeakPolarHBondContact O-CG2 3.48Å; R41-V45 PolarHBondContact O-N 2.9Å; R42-V45 PolarHBondContact O-N 2.91Å; Q43-V45 VanDerWaalsContact C-N 3.33Å; Q43-V45 PolarHBondContact O-N 3.48Å |
| 46 | S | 51.4 | Low | 52.3 | Low | 76 Ų | 76 | 133.7 Ų | 133.7 | 53% | 0.531 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -75.8 | -27.9 | 175.1 | 74.1 | 0 | 0 | 0 | 0 | 113.5 | R42 | R42-S46 PolarHBondContact O-N 2.87Å |
| 47 | Q | 50.7 | Low | 51.8 | Low | 137 Ų | 137 | 132.4 Ų | 132.4 | 64% | 0.64 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -17.5 | -179.8 | -71.5 | -171.9 | -13.7 | 0 | 0 | 114.3 | ||
| 48 | Y | 49.9 | Very low | 51.3 | Low | 200 Ų | 200 | 133.1 Ų | 133.1 | 78% | 0.784 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -0.6 | 179.7 | -76.9 | -95.2 | 0 | 0 | 0 | 114.1 | N44 | N44-Y48 WeakPolarHBondContact O-CD2 3.44Š|
| 49 | Q | 49.5 | Very low | 50.8 | Low | 165 Ų | 165 | 134.2 Ų | 134.2 | 77% | 0.771 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -107 | -0.7 | 174.3 | -67.4 | -162.1 | -1.2 | 0 | 0 | 114.3 | K51 | Q49-K51 PolarHBondContact O-N 2.94Š|
| 50 | Q | 49.2 | Very low | 50.3 | Low | 165 Ų | 165 | 135.9 Ų | 135.9 | 77% | 0.771 | 69% | 0.689 | S | S | * | * | trans | -88.4 | 89.2 | 170.9 | -70.9 | -176.5 | -13.1 | 0 | 0 | 109.7 | ||||
| 51 | K | 54 | Low | 49.9 | Very low | 188 Ų | 188 | 142.4 Ų | 142.4 | 82% | 0.817 | 72% | 0.715 | S | S | * | * | trans | -54.1 | 134.8 | 160.5 | -70 | -179.8 | 178.3 | -179.5 | 0 | 107.8 | Q49 R53 | Q49-K51 PolarHBondContact O-N 2.94Å; K51-R53 PolarHBondContact O-N 2.97Å | ||
| 52 | P | 52.1 | Low | 49.6 | Very low | 110 Ų | 110 | 144.7 Ų | 144.7 | 71% | 0.714 | 72% | 0.724 | S | S | * | * | trans | -63.2 | 107.6 | 168.9 | 26.7 | -30 | 0 | 0 | 0 | 106.7 | I54 | P52-I54 HydrophobicContact CB-CG1 4.4Å; P52-I54 PolarHBondContact O-N 3.5Å | ||
| 53 | R | 50.6 | Low | 49.2 | Very low | 247 Ų | 247 | 138.7 Ų | 138.7 | 93% | 0.932 | 72% | 0.723 | S | S | * | * | trans | -66.5 | 84.2 | 162.1 | -81.8 | -178.6 | 160.5 | 171.4 | -5.6 | 105.9 | K51 S55 | K51-R53 PolarHBondContact O-N 2.97Å; R53-S55 PolarHBondContact O-N 3.49Å; R53-S55 VanDerWaalsContact O-N 3.09Å | ||
| 54 | I | 49.9 | Very low | 49.2 | Very low | 142 Ų | 142 | 140.1 Ų | 140.1 | 73% | 0.728 | 73% | 0.734 | S | S | * | * | trans | -62.5 | 111.6 | 164.8 | -60 | 173.8 | 0 | 0 | 0 | 104.8 | P52 A56 | P52-I54 HydrophobicContact CB-CG1 4.4Å; P52-I54 PolarHBondContact O-N 3.5Å; I54-A56 PolarHBondContact O-N 2.93Å | ||
| 55 | S | 42.3 | Very low | 49 | Very low | 80 Ų | 80 | 145 Ų | 145 | 56% | 0.559 | 75% | 0.745 | S | S | * | * | trans | -55.5 | 125.3 | 172.4 | 167.9 | 0 | 0 | 0 | 0 | 108.9 | R53 A57 A58 | R53-S55 PolarHBondContact O-N 3.49Å; R53-S55 VanDerWaalsContact O-N 3.09Å; S55-A57 PolarHBondContact O-N 2.97Å; S55-A57 PolarHBondContact OG-N 3.28Å; S55-A58 PolarHBondContact O-N 3.36Å | ||
| 56 | A | 49.8 | Very low | 48.9 | Very low | 99 Ų | 99 | 150.1 Ų | 150.1 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | 2.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I54 | I54-A56 PolarHBondContact O-N 2.93Š|
| 57 | A | 47.9 | Very low | 49 | Very low | 85 Ų | 85 | 154.6 Ų | 154.6 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -4.6 | 175 | 0 | 0 | 0 | 0 | 0 | 114.4 | S55 T59 | S55-A57 PolarHBondContact O-N 2.97Å; S55-A57 PolarHBondContact OG-N 3.28Å; A57-T59 VanDerWaalsContact C-N 3.34Å |
| 58 | A | 49.1 | Very low | 48.6 | Very low | 79 Ų | 79 | 159.6 Ų | 159.6 | 65% | 0.653 | 79% | 0.786 | S | S | * | * | trans | -89.3 | 7.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | S55 R60 | S55-A58 PolarHBondContact O-N 3.36Å; A58-R60 PolarHBondContact O-N 3.5Å | ||
| 59 | T | 47.8 | Very low | 48.7 | Very low | 123 Ų | 123 | 157.8 Ų | 157.8 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -94.1 | 58.5 | -179.1 | -36.2 | 0 | 0 | 0 | 0 | 111.5 | A57 | A57-T59 VanDerWaalsContact C-N 3.34Š| ||
| 60 | R | 41.6 | Very low | 48.8 | Very low | 222 Ų | 222 | 154.4 Ų | 154.4 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -143.4 | 138.2 | 169.4 | -67 | -171.6 | 173.4 | 179.4 | -2.7 | 109.7 | A58 | A58-R60 PolarHBondContact O-N 3.5Š| ||
| 61 | L | 49 | Very low | 48.5 | Very low | 168 Ų | 168 | 158 Ų | 158 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | trans | 78.5 | 84.1 | 178.9 | -67.7 | 110.7 | 0 | 0 | 0 | 117.6 | ||||
| 62 | R | 46.4 | Very low | 48.4 | Very low | 248 Ų | 248 | 156 Ų | 156 | 94% | 0.936 | 79% | 0.787 | S | S | * | * | -162.9 | 80.4 | 118.5 | -104.5 | 174.3 | -165.5 | -151.1 | 3.3 | 108.6 | |||||
| 63 | G | 43 | Very low | 48.1 | Very low | 69 Ų | 69 | 157.6 Ų | 157.6 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | -64.7 | 133.1 | 155.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 64 | L | 55.9 | Low | 47.9 | Very low | 153 Ų | 153 | 156.2 Ų | 156.2 | 80% | 0.801 | 78% | 0.784 | S | S | * | * | trans | -174.1 | 105.4 | 151.5 | -97.1 | 152.6 | 0 | 0 | 0 | 108.2 | ||||
| 65 | R | 46.8 | Very low | 47.5 | Very low | 197 Ų | 197 | 155.6 Ų | 155.6 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | trans | 77.1 | 83.5 | 148.9 | -52.2 | 178.3 | 104.1 | -166.5 | 8.5 | 117.2 | K67 | R65-K67 PolarHBondContact O-N 3.28Š| ||
| 66 | Q | 50.1 | Low | 47.7 | Very low | 200 Ų | 200 | 158.5 Ų | 158.5 | 94% | 0.935 | 80% | 0.797 | S | S | * | * | trans | -63.6 | 105.6 | 144.5 | -71 | 175.6 | -11.2 | 0 | 0 | 108.5 | ||||
| 67 | K | 52.3 | Low | 47.4 | Very low | 169 Ų | 169 | 163 Ų | 163 | 74% | 0.735 | 80% | 0.801 | S | S | * | * | trans | -97.3 | 113.8 | 161.5 | -96.3 | -171.1 | 174.1 | -171.5 | 0 | 108.2 | R65 L69 | R65-K67 PolarHBondContact O-N 3.28Å; K67-L69 PolarHBondContact O-N 3.49Å | ||
| 68 | R | 42.5 | Very low | 47 | Very low | 242 Ų | 242 | 162.4 Ų | 162.4 | 91% | 0.913 | 80% | 0.803 | S | S | * | * | trans | -50.7 | 123.6 | 170.4 | -60.3 | 165.5 | 78.6 | -166.4 | 6 | 109.2 | ||||
| 69 | L | 53.4 | Low | 46.4 | Very low | 163 Ų | 163 | 164.5 Ų | 164.5 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -117.9 | 101 | 158.1 | -71.8 | 173.9 | 0 | 0 | 0 | 106.9 | K67 | K67-L69 PolarHBondContact O-N 3.49Š| ||
| 70 | S | 50.1 | Low | 46.2 | Very low | 94 Ų | 94 | 164.1 Ų | 164.1 | 66% | 0.657 | 82% | 0.815 | S | S | * | * | trans | -3.2 | 118.3 | 152.9 | 45.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 71 | R | 43.4 | Very low | 46.1 | Very low | 241 Ų | 241 | 159.3 Ų | 159.3 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | 33.5 | 102.6 | 96.1 | -82.4 | -171.9 | -171 | -170.7 | 2.2 | 112.2 | |||||
| 72 | I | 51.4 | Low | 46.1 | Very low | 145 Ų | 145 | 158.5 Ų | 158.5 | 74% | 0.744 | 81% | 0.808 | S | S | * | * | trans | -163.8 | 107.9 | 144.7 | -90.5 | 140.5 | 0 | 0 | 0 | 107.5 | ||||
| 73 | N | 47.2 | Very low | 46.1 | Very low | 144 Ų | 144 | 153 Ų | 153 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | 60.6 | 102.9 | 140.7 | -54.5 | -17.2 | 0 | 0 | 0 | 121.2 | ||||
| 74 | R | 46.6 | Very low | 46.1 | Very low | 218 Ų | 218 | 157.1 Ų | 157.1 | 82% | 0.823 | 81% | 0.805 | S | S | * | * | 163.7 | 126.2 | 106.9 | -99 | 177.7 | 160 | 168.4 | -5.8 | 111.5 | |||||
| 75 | P | 39.9 | Very low | 45.5 | Very low | 129 Ų | 129 | 154.5 Ų | 154.5 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | trans | -96.8 | 125 | 154.9 | 33.5 | -22.1 | 0 | 0 | 0 | 108.9 | ||||
| 76 | I | 47.9 | Very low | 45.3 | Very low | 140 Ų | 140 | 152 Ų | 152 | 72% | 0.718 | 81% | 0.806 | S | S | * | * | trans | -127.3 | 108.7 | 160.9 | -64 | 179.2 | 0 | 0 | 0 | 106.5 | ||||
| 77 | Q | 43.6 | Very low | 44.8 | Very low | 194 Ų | 194 | 148 Ų | 148 | 91% | 0.907 | 80% | 0.795 | S | S | * | * | trans | -56.7 | 140.7 | 165.2 | -71.1 | 166.8 | -27.9 | 0 | 0 | 109.5 | ||||
| 78 | G | 38.9 | Very low | 44.5 | Very low | 73 Ų | 73 | 148.3 Ų | 148.3 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | 178.5 | 74.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.2 | S80 | G78-S80 PolarHBondContact O-N 3Š| ||
| 79 | S | 36.8 | Very low | 44.7 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -51.5 | 117.8 | 165.9 | 38.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 80 | S | 42.9 | Very low | 44.5 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -172.4 | 125.1 | 137.4 | 46.6 | 0 | 0 | 0 | 0 | 109.6 | G78 Q82 | G78-S80 PolarHBondContact O-N 3Å; S80-Q82 PolarHBondContact O-N 3.48Å | ||
| 81 | S | 40.9 | Very low | 44.4 | Very low | 121 Ų | 121 | 152.1 Ų | 152.1 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | trans | -72.3 | 103.8 | 175.7 | 47.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 82 | Q | 48.3 | Very low | 44.5 | Very low | 152 Ų | 152 | 146.3 Ų | 146.3 | 71% | 0.71 | 79% | 0.794 | S | S | * | * | trans | -141.2 | 117.6 | 156 | -86.6 | -165.8 | -21.4 | 0 | 0 | 108.7 | S80 Q84 | S80-Q82 PolarHBondContact O-N 3.48Å; Q82-Q84 VanDerWaalsContact C-N 3.32Å; Q82-Q84 PolarHBondContact O-N 2.91Å | ||
| 83 | P | 45.6 | Very low | 44.5 | Very low | 133 Ų | 133 | 148.6 Ų | 148.6 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | -78.2 | 89.6 | 164.9 | 30.8 | -27.6 | 0 | 0 | 0 | 108.1 | A85 | P83-A85 PolarHBondContact O-N 3Š| ||
| 84 | Q | 44.6 | Very low | 44.6 | Very low | 154 Ų | 154 | 145.7 Ų | 145.7 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | -64.9 | 117.9 | 159.6 | -81.6 | -176.5 | 0 | 0 | 0 | 108.3 | Q82 L86 | Q82-Q84 VanDerWaalsContact C-N 3.32Å; Q82-Q84 PolarHBondContact O-N 2.91Å; Q84-L86 VanDerWaalsContact C-N 3.31Å; Q84-L86 PolarHBondContact O-N 3.32Å | ||
| 85 | A | 42 | Very low | 45 | Very low | 99 Ų | 99 | 140.9 Ų | 140.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -61.9 | 92.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | P83 T87 | P83-A85 PolarHBondContact O-N 3Å; A85-T87 PolarHBondContact O-N 2.93Å | ||
| 86 | L | 42.3 | Very low | 45.6 | Very low | 145 Ų | 145 | 144.1 Ų | 144.1 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | -62.3 | 105.4 | 173.8 | -98.5 | 131.3 | 0 | 0 | 0 | 110.2 | Q84 | Q84-L86 VanDerWaalsContact C-N 3.31Å; Q84-L86 PolarHBondContact O-N 3.32Å | ||
| 87 | T | 40.3 | Very low | 45.7 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | -36.4 | 129.8 | 144.8 | 49.3 | 0 | 0 | 0 | 0 | 111.3 | A85 | A85-T87 PolarHBondContact O-N 2.93Š| ||
| 88 | K | 45.9 | Very low | 46.1 | Very low | 177 Ų | 177 | 138.3 Ų | 138.3 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | trans | 159 | 77.3 | 145.7 | -84.4 | 159 | -168.4 | -178.6 | 0 | 111.4 | K90 | K88-K90 PolarHBondContact O-N 3.26Š| ||
| 89 | N | 46.4 | Very low | 46.6 | Very low | 170 Ų | 170 | 146 Ų | 146 | 91% | 0.909 | 76% | 0.764 | S | S | * | * | trans | -91.3 | 53.8 | 154.7 | -84.3 | -34.4 | 0 | 0 | 0 | 110.2 | R91 | N89-R91 PolarHBondContact O-N 3.32Š| ||
| 90 | K | 49 | Very low | 47.3 | Very low | 188 Ų | 188 | 143.8 Ų | 143.8 | 82% | 0.817 | 75% | 0.748 | S | S | * | * | trans | -88.5 | 93.6 | 159.6 | -86.6 | -175.9 | 177 | 179.3 | 0 | 106.3 | K88 V92 | K88-K90 PolarHBondContact O-N 3.26Å; K90-V92 VanDerWaalsContact C-N 3.31Å; K90-V92 PolarHBondContact O-N 3.01Å | ||
| 91 | R | 48.2 | Very low | 48 | Very low | 221 Ų | 221 | 140.8 Ų | 140.8 | 83% | 0.834 | 73% | 0.727 | S | S | * | * | trans | -59.5 | 95.6 | 170.1 | -75.4 | -178 | 174.4 | -172.7 | -1.8 | 108.3 | N89 F93 | N89-R91 PolarHBondContact O-N 3.32Å; R91-F93 PolarHBondContact O-N 3.26Å; R91-F93 VanDerWaalsContact O-N 3.11Å | ||
| 92 | V | 46 | Very low | 48.9 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 72% | 0.721 | 72% | 0.723 | S | S | * | * | trans | -67.4 | 105.2 | 166.8 | 178 | 0 | 0 | 0 | 0 | 106.3 | K90 T94 | K90-V92 VanDerWaalsContact C-N 3.31Å; K90-V92 PolarHBondContact O-N 3.01Å; V92-T94 VanDerWaalsContact C-N 3.34Å; V92-T94 PolarHBondContact O-N 3.39Å | ||
| 93 | F | 50.6 | Low | 50 | Low | 193 Ų | 193 | 141.3 Ų | 141.3 | 85% | 0.846 | 72% | 0.717 | S | S | * | * | trans | -63.5 | 96.7 | 167.9 | -80.9 | -92.2 | 0 | 0 | 0 | 108 | R91 V95 | R91-F93 PolarHBondContact O-N 3.26Å; R91-F93 VanDerWaalsContact O-N 3.11Å; F93-V95 PolarHBondContact O-N 3.1Å | ||
| 94 | T | 49.3 | Very low | 51.1 | Low | 83 Ų | 83 | 139.1 Ų | 139.1 | 51% | 0.509 | 70% | 0.701 | S | S | . | * | trans | -67.7 | 123.6 | 171.9 | 51.4 | 0 | 0 | 0 | 0 | 109.1 | V92 K96 N97 | V92-T94 VanDerWaalsContact C-N 3.34Å; V92-T94 PolarHBondContact O-N 3.39Å; T94-K96 PolarHBondContact O-N 3.44Å; T94-N97 PolarHBondContact O-N 3.47Å; T94-N97 VanDerWaalsContact O-N 3.14Å | ||
| 95 | V | 55 | Low | 52.4 | Low | 116 Ų | 116 | 134.5 Ų | 134.5 | 70% | 0.703 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -48.6 | -18.6 | -179.3 | -178.4 | 0 | 0 | 0 | 0 | 114 | F93 N97 I98 | F93-V95 PolarHBondContact O-N 3.1Å; V95-N97 VanDerWaalsContact C-N 3.27Å; V95-N97 PolarHBondContact O-N 2.97Å; V95-I98 HydrophobicContact CB-CD1 4.19Å; V95-I98 HydrophobicContact CG1-CD1 3.72Å; V95-I98 WeakPolarHBondContact O-CD1 3.18Å; V95-I98 VanDerWaalsContact O-CG1 3.27Å; V95-I98 WeakPolarHBondContact O-CG1 3.43Å; V95-I98 PolarHBondContact O-N 3.12Å |
| 96 | K | 54.2 | Low | 54.1 | Low | 197 Ų | 197 | 134.5 Ų | 134.5 | 86% | 0.857 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -70.7 | -12.6 | 179.3 | -64.9 | -177.3 | 178.7 | 179.7 | 0 | 115 | T94 | T94-K96 PolarHBondContact O-N 3.44Š|
| 97 | N | 49.4 | Very low | 55.7 | Low | 110 Ų | 110 | 130.3 Ų | 130.3 | 59% | 0.588 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -91.2 | 3.2 | 174.4 | -87.9 | -28.4 | 0 | 0 | 0 | 114.8 | T94 V95 S100 S101 | T94-N97 PolarHBondContact O-N 3.47Å; T94-N97 VanDerWaalsContact O-N 3.14Å; V95-N97 VanDerWaalsContact C-N 3.27Å; V95-N97 PolarHBondContact O-N 2.97Å; N97-S100 PolarHBondContact O-OG 2.82Å; N97-S101 PolarHBondContact O-N 2.91Å |
| 98 | I | 51.7 | Low | 57.5 | Low | 102 Ų | 102 | 129.7 Ų | 129.7 | 52% | 0.523 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -77.8 | -24.4 | -174 | -59.6 | 173.3 | 0 | 0 | 0 | 112.5 | V95 S101 | V95-I98 HydrophobicContact CB-CD1 4.19Å; V95-I98 HydrophobicContact CG1-CD1 3.72Å; V95-I98 WeakPolarHBondContact O-CD1 3.18Å; V95-I98 VanDerWaalsContact O-CG1 3.27Å; V95-I98 WeakPolarHBondContact O-CG1 3.43Å; V95-I98 PolarHBondContact O-N 3.12Å; I98-S101 WeakPolarHBondContact CA-OG 3.25Å; I98-S101 PolarHBondContact O-OG 3.49Å |
| 99 | R | 48.9 | Very low | 59.4 | Low | 236 Ų | 236 | 125.9 Ų | 125.9 | 89% | 0.891 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -77 | -36.1 | 179.1 | -88.7 | -175 | 176.1 | -171.7 | -0.9 | 113.3 | S101 | R99-S101 VanDerWaalsContact C-N 3.34Å |
| 100 | S | 50.9 | Low | 61.1 | Low | 74 Ų | 74 | 124.5 Ų | 124.5 | 52% | 0.517 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -74.3 | -25.1 | 175.6 | 38.5 | 0 | 0 | 0 | 0 | 112.6 | N97 T104 | N97-S100 PolarHBondContact O-OG 2.82Å; S100-T104 PolarHBondContact O-OG1 3.46Å |
| 101 | S | 58.3 | Low | 62.6 | Low | 52 Ų | 52 | 124.6 Ų | 124.6 | 36% | 0.364 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -73.2 | -23.3 | 178.2 | 64.4 | 0 | 0 | 0 | 0 | 114.1 | N97 I98 R99 T104 A105 | N97-S101 PolarHBondContact O-N 2.91Å; I98-S101 WeakPolarHBondContact CA-OG 3.25Å; I98-S101 PolarHBondContact O-OG 3.49Å; R99-S101 VanDerWaalsContact C-N 3.34Å; S101-T104 WeakPolarHBondContact CA-OG1 3.35Å; S101-T104 PolarHBondContact O-OG1 2.88Å; S101-A105 WeakPolarHBondContact O-CB 3.42Å; S101-A105 PolarHBondContact O-N 3.27Å |
| 102 | R | 60.6 | Low | 64.1 | Low | 200 Ų | 200 | 116.7 Ų | 116.7 | 76% | 0.755 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -68.4 | -43.2 | -178.7 | -167.6 | 175.6 | -176.2 | 176.1 | 1.2 | 112.2 | A105 Q106 | R102-A105 PolarHBondContact O-N 3.22Å; R102-Q106 VanDerWaalsContact O-CB 3.31Å; R102-Q106 WeakPolarHBondContact O-CB 3.35Å; R102-Q106 PolarHBondContact O-N 3.38Å |
| 103 | S | 69.9 | Low | 66.1 | Low | 85 Ų | 85 | 116.7 Ų | 116.7 | 59% | 0.594 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.7 | -44.4 | 177 | 177 | 0 | 0 | 0 | 0 | 111.5 | Q106 A107 | S103-Q106 PolarHBondContact O-N 3.29Å; S103-A107 WeakPolarHBondContact O-CB 3.35Å; S103-A107 PolarHBondContact O-N 2.96Å |
| 104 | T | 69.3 | Low | 67.8 | Low | 86 Ų | 86 | 117 Ų | 117 | 53% | 0.528 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67 | -40 | 176.8 | 55.8 | 0 | 0 | 0 | 0 | 112.1 | S100 S101 A107 V108 | S100-T104 PolarHBondContact O-OG1 3.46Å; S101-T104 WeakPolarHBondContact CA-OG1 3.35Å; S101-T104 PolarHBondContact O-OG1 2.88Å; T104-A107 PolarHBondContact O-N 3.25Å; T104-V108 VanDerWaalsContact O-CG2 3.3Å; T104-V108 WeakPolarHBondContact O-CG2 3.37Å; T104-V108 PolarHBondContact O-N 2.94Å |
| 105 | A | 71.7 | Confident | 69.5 | Low | 58 Ų | 58 | 117.3 Ų | 117.3 | 48% | 0.479 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.8 | -41.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S101 R102 V108 L109 | S101-A105 WeakPolarHBondContact O-CB 3.42Å; S101-A105 PolarHBondContact O-N 3.27Å; R102-A105 PolarHBondContact O-N 3.22Å; A105-V108 PolarHBondContact O-N 3.5Å; A105-L109 WeakPolarHBondContact O-CB 3.39Å; A105-L109 PolarHBondContact O-N 2.83Å |
| 106 | Q | 79.1 | Confident | 70.8 | Confident | 98 Ų | 98 | 114.6 Ų | 114.6 | 46% | 0.458 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.8 | -38.5 | 175.7 | -167.9 | 177.4 | 10.6 | 0 | 0 | 112 | R102 S103 L109 R110 | R102-Q106 VanDerWaalsContact O-CB 3.31Å; R102-Q106 WeakPolarHBondContact O-CB 3.35Å; R102-Q106 PolarHBondContact O-N 3.38Å; S103-Q106 PolarHBondContact O-N 3.29Å; Q106-L109 PolarHBondContact O-N 2.88Å; Q106-R110 WeakPolarHBondContact O-CB 3.33Å; Q106-R110 WeakPolarHBondContact O-CG 3.33Å; Q106-R110 PolarHBondContact O-N 3.38Å |
| 107 | A | 75.5 | Confident | 72.3 | Confident | 58 Ų | 58 | 108.2 Ų | 108.2 | 48% | 0.479 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.9 | -42 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S103 T104 R110 R111 | S103-A107 WeakPolarHBondContact O-CB 3.35Å; S103-A107 PolarHBondContact O-N 2.96Å; T104-A107 PolarHBondContact O-N 3.25Å; A107-R110 PolarHBondContact O-N 3.13Å; A107-R111 WeakPolarHBondContact O-CB 3.48Å; A107-R111 PolarHBondContact O-N 2.98Å |
| 108 | V | 78.4 | Confident | 73.9 | Confident | 100 Ų | 100 | 105.7 Ų | 105.7 | 61% | 0.606 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.2 | -42.9 | 174 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | T104 A105 R111 A112 | T104-V108 VanDerWaalsContact O-CG2 3.3Å; T104-V108 WeakPolarHBondContact O-CG2 3.37Å; T104-V108 PolarHBondContact O-N 2.94Å; A105-V108 PolarHBondContact O-N 3.5Å; V108-R111 PolarHBondContact O-N 3.45Å; V108-A112 WeakPolarHBondContact O-CB 3.49Å; V108-A112 PolarHBondContact O-N 3.03Å |
| 109 | L | 84.2 | Confident | 75.3 | Confident | 97 Ų | 97 | 103.3 Ų | 103.3 | 51% | 0.508 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.6 | -46.8 | 177.4 | -176 | 144.4 | 0 | 0 | 0 | 111.8 | A105 Q106 R111 A112 Q113 | A105-L109 WeakPolarHBondContact O-CB 3.39Å; A105-L109 PolarHBondContact O-N 2.83Å; Q106-L109 PolarHBondContact O-N 2.88Å; L109-R111 VanDerWaalsContact C-N 3.29Å; L109-R111 PolarHBondContact O-N 3.31Å; L109-A112 PolarHBondContact O-N 3.45Å; L109-Q113 HydrophobicContact CD2-CG 4.32Å; L109-Q113 WeakPolarHBondContact O-CG 3.46Å; L109-Q113 PolarHBondContact O-N 2.92Å |
| 110 | R | 83.7 | Confident | 77 | Confident | 141 Ų | 141 | 95 Ų | 95 | 53% | 0.532 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.8 | -38.7 | 174.7 | -74.6 | -178.8 | -179.2 | -179.9 | 1.4 | 111.9 | Q106 A107 R114 | Q106-R110 WeakPolarHBondContact O-CB 3.33Å; Q106-R110 WeakPolarHBondContact O-CG 3.33Å; Q106-R110 PolarHBondContact O-N 3.38Å; A107-R110 PolarHBondContact O-N 3.13Å; R110-R114 WeakPolarHBondContact O-CG 3.38Å; R110-R114 PolarHBondContact O-N 3.28Å; R110-R114 VanDerWaalsContact O-N 3.07Å |
| 111 | R | 79.4 | Confident | 78.7 | Confident | 190 Ų | 190 | 98.2 Ų | 98.2 | 72% | 0.717 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.3 | -45.9 | 175.1 | -174.4 | 178.6 | -177.2 | -179.4 | 1.9 | 111.3 | A107 V108 L109 Q113 R114 T115 | A107-R111 WeakPolarHBondContact O-CB 3.48Å; A107-R111 PolarHBondContact O-N 2.98Å; V108-R111 PolarHBondContact O-N 3.45Å; L109-R111 VanDerWaalsContact C-N 3.29Å; L109-R111 PolarHBondContact O-N 3.31Å; R111-Q113 VanDerWaalsContact C-N 3.33Å; R111-Q113 PolarHBondContact O-N 3.06Å; R111-R114 PolarHBondContact O-N 3.45Å; R111-T115 PolarHBondContact O-N 3.31Å; R111-T115 PolarHBondContact O-OG1 3.38Å; R111-T115 VanDerWaalsContact O-OG1 3.12Å |
| 112 | A | 80.4 | Confident | 79.8 | Confident | 56 Ų | 56 | 100 Ų | 100 | 46% | 0.463 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -60.4 | -42.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | V108 L109 R114 T115 A116 | V108-A112 WeakPolarHBondContact O-CB 3.49Å; V108-A112 PolarHBondContact O-N 3.03Å; L109-A112 PolarHBondContact O-N 3.45Å; A112-R114 PolarHBondContact O-N 3.1Å; A112-T115 PolarHBondContact O-N 2.91Å; A112-A116 WeakPolarHBondContact O-CB 3.47Å; A112-A116 PolarHBondContact O-N 2.82Å |
| 113 | Q | 88.1 | Confident | 80.9 | Confident | 119 Ų | 119 | 93.1 Ų | 93.1 | 56% | 0.556 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.9 | -45.1 | 174.6 | -75 | 174.8 | -26.9 | 0 | 0 | 112.3 | L109 R111 T115 A116 A117 | L109-Q113 HydrophobicContact CD2-CG 4.32Å; L109-Q113 WeakPolarHBondContact O-CG 3.46Å; L109-Q113 PolarHBondContact O-N 2.92Å; R111-Q113 VanDerWaalsContact C-N 3.33Å; R111-Q113 PolarHBondContact O-N 3.06Å; Q113-T115 PolarHBondContact O-N 3.49Å; Q113-A116 PolarHBondContact O-N 3.16Å; Q113-A117 WeakPolarHBondContact O-CB 3.3Å; Q113-A117 PolarHBondContact O-N 3.49Å |
| 114 | R | 85.1 | Confident | 81.6 | Confident | 198 Ų | 198 | 91.6 Ų | 91.6 | 75% | 0.747 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.9 | -41.7 | 176 | -72.4 | 176.8 | -179.4 | 179.8 | -0.7 | 112.1 | R110 R111 A112 A117 A118 | R110-R114 WeakPolarHBondContact O-CG 3.38Å; R110-R114 PolarHBondContact O-N 3.28Å; R110-R114 VanDerWaalsContact O-N 3.07Å; R111-R114 PolarHBondContact O-N 3.45Å; A112-R114 PolarHBondContact O-N 3.1Å; R114-A117 PolarHBondContact O-N 3Å; R114-A118 WeakPolarHBondContact O-CB 3.35Å; R114-A118 PolarHBondContact O-N 3.36Å |
| 115 | T | 86.6 | Confident | 82.4 | Confident | 91 Ų | 91 | 91.8 Ų | 91.8 | 56% | 0.558 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.3 | -39.8 | 176.5 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | R111 A112 Q113 A118 A119 | R111-T115 PolarHBondContact O-N 3.31Å; R111-T115 PolarHBondContact O-OG1 3.38Å; R111-T115 VanDerWaalsContact O-OG1 3.12Å; A112-T115 PolarHBondContact O-N 2.91Å; Q113-T115 PolarHBondContact O-N 3.49Å; T115-A118 PolarHBondContact O-N 2.9Å; T115-A119 WeakPolarHBondContact O-CB 3.37Å; T115-A119 PolarHBondContact O-N 3.45Å |
| 116 | A | 80.7 | Confident | 83 | Confident | 58 Ų | 58 | 91.3 Ų | 91.3 | 48% | 0.479 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A112 Q113 A119 A120 | A112-A116 WeakPolarHBondContact O-CB 3.47Å; A112-A116 PolarHBondContact O-N 2.82Å; Q113-A116 PolarHBondContact O-N 3.16Å; A116-A119 PolarHBondContact O-N 2.93Å; A116-A120 WeakPolarHBondContact O-CB 3.41Å; A116-A120 PolarHBondContact O-N 3.48Å |
| 117 | A | 85.6 | Confident | 83.3 | Confident | 63 Ų | 63 | 90.3 Ų | 90.3 | 52% | 0.521 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q113 R114 A120 K121 | Q113-A117 WeakPolarHBondContact O-CB 3.3Å; Q113-A117 PolarHBondContact O-N 3.49Å; R114-A117 PolarHBondContact O-N 3Å; A117-A120 PolarHBondContact O-N 3.29Å; A117-K121 PolarHBondContact O-N 2.91Å |
| 118 | A | 83 | Confident | 83.7 | Confident | 57 Ų | 57 | 89.9 Ų | 89.9 | 47% | 0.471 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R114 T115 K121 T122 | R114-A118 WeakPolarHBondContact O-CB 3.35Å; R114-A118 PolarHBondContact O-N 3.36Å; T115-A118 PolarHBondContact O-N 2.9Å; A118-K121 PolarHBondContact O-N 2.83Å; A118-T122 WeakPolarHBondContact O-CG2 3.5Å; A118-T122 PolarHBondContact O-N 3.46Å; A118-T122 PolarHBondContact O-OG1 3.48Å |
| 119 | A | 82.3 | Confident | 84.1 | Confident | 52 Ų | 52 | 90.1 Ų | 90.1 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | T115 A116 K121 T122 A123 | T115-A119 WeakPolarHBondContact O-CB 3.37Å; T115-A119 PolarHBondContact O-N 3.45Å; A116-A119 PolarHBondContact O-N 2.93Å; A119-K121 VanDerWaalsContact C-N 3.33Å; A119-K121 PolarHBondContact O-N 3Å; A119-T122 WeakPolarHBondContact CA-OG1 3.4Å; A119-T122 PolarHBondContact O-N 2.88Å; A119-T122 PolarHBondContact O-OG1 2.97Å; A119-A123 WeakPolarHBondContact O-CB 3.42Å; A119-A123 PolarHBondContact O-N 3.07Å |
| 120 | A | 83.8 | Confident | 84.2 | Confident | 61 Ų | 61 | 90.3 Ų | 90.3 | 50% | 0.504 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A116 A117 A123 A124 | A116-A120 WeakPolarHBondContact O-CB 3.41Å; A116-A120 PolarHBondContact O-N 3.48Å; A117-A120 PolarHBondContact O-N 3.29Å; A120-A123 PolarHBondContact O-N 2.96Å; A120-A124 WeakPolarHBondContact O-CB 3.4Å; A120-A124 PolarHBondContact O-N 3.43Å |
| 121 | K | 87 | Confident | 84.2 | Confident | 143 Ų | 143 | 89.6 Ų | 89.6 | 62% | 0.622 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.1 | -46.9 | 174.2 | -170.2 | 175.1 | -178.6 | 176.6 | 0 | 111.9 | A117 A118 A119 A123 A124 D125 | A117-K121 PolarHBondContact O-N 2.91Å; A118-K121 PolarHBondContact O-N 2.83Å; A119-K121 VanDerWaalsContact C-N 3.33Å; A119-K121 PolarHBondContact O-N 3Å; K121-A123 VanDerWaalsContact C-N 3.29Å; K121-A123 PolarHBondContact O-N 3.42Å; K121-A124 PolarHBondContact O-N 3.44Å; K121-D125 PolarHBondContact O-N 3.36Å |
| 122 | T | 82.4 | Confident | 84.4 | Confident | 90 Ų | 90 | 88.3 Ų | 88.3 | 55% | 0.552 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.4 | -33.4 | 176.8 | 56.4 | 0 | 0 | 0 | 0 | 113.2 | A118 A119 A126 | A118-T122 WeakPolarHBondContact O-CG2 3.5Å; A118-T122 PolarHBondContact O-N 3.46Å; A118-T122 PolarHBondContact O-OG1 3.48Å; A119-T122 WeakPolarHBondContact CA-OG1 3.4Å; A119-T122 PolarHBondContact O-N 2.88Å; A119-T122 PolarHBondContact O-OG1 2.97Å; T122-A126 WeakPolarHBondContact O-CB 3.39Å; T122-A126 PolarHBondContact O-N 3.31Å |
| 123 | A | 82.2 | Confident | 84.6 | Confident | 54 Ų | 54 | 89.2 Ų | 89.2 | 45% | 0.446 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.6 | -42.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | A119 A120 K121 A126 T127 | A119-A123 WeakPolarHBondContact O-CB 3.42Å; A119-A123 PolarHBondContact O-N 3.07Å; A120-A123 PolarHBondContact O-N 2.96Å; K121-A123 VanDerWaalsContact C-N 3.29Å; K121-A123 PolarHBondContact O-N 3.42Å; A123-A126 PolarHBondContact O-N 3.16Å; A123-T127 WeakPolarHBondContact O-CG2 3.15Å; A123-T127 PolarHBondContact O-N 3.38Å; A123-T127 PolarHBondContact O-OG1 3.01Å |
| 124 | A | 85.1 | Confident | 84.3 | Confident | 53 Ų | 53 | 91 Ų | 91 | 44% | 0.438 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A120 K121 A126 T127 A128 | A120-A124 WeakPolarHBondContact O-CB 3.4Å; A120-A124 PolarHBondContact O-N 3.43Å; K121-A124 PolarHBondContact O-N 3.44Å; A124-A126 VanDerWaalsContact C-N 3.32Å; A124-A126 PolarHBondContact O-N 3.19Å; A124-T127 WeakPolarHBondContact CA-OG1 3.22Å; A124-T127 PolarHBondContact O-N 3.4Å; A124-T127 PolarHBondContact O-OG1 3.28Å; A124-A128 WeakPolarHBondContact O-CB 3.5Å; A124-A128 PolarHBondContact O-N 3.47Å |
| 125 | D | 86 | Confident | 84.1 | Confident | 90 Ų | 90 | 85.9 Ų | 85.9 | 48% | 0.481 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 174.7 | -68.4 | -23.3 | 0 | 0 | 0 | 111 | K121 A128 L129 | K121-D125 PolarHBondContact O-N 3.36Å; D125-A128 PolarHBondContact O-N 3.06Å; D125-L129 WeakPolarHBondContact O-CG 3.4Å; D125-L129 PolarHBondContact O-N 3.42Å |
| 126 | A | 84.1 | Confident | 83.9 | Confident | 48 Ų | 48 | 85.4 Ų | 85.4 | 40% | 0.397 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.9 | -39.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T122 A123 A124 L129 L130 | T122-A126 WeakPolarHBondContact O-CB 3.39Å; T122-A126 PolarHBondContact O-N 3.31Å; A123-A126 PolarHBondContact O-N 3.16Å; A124-A126 VanDerWaalsContact C-N 3.32Å; A124-A126 PolarHBondContact O-N 3.19Å; A126-L129 PolarHBondContact O-N 3.05Å; A126-L130 WeakPolarHBondContact O-CG 3.43Å; A126-L130 PolarHBondContact O-N 3.08Å |
| 127 | T | 85.5 | Confident | 83.8 | Confident | 77 Ų | 77 | 90 Ų | 90 | 47% | 0.472 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.7 | -39 | 175.8 | 56 | 0 | 0 | 0 | 0 | 111.7 | A123 A124 L129 L130 Q131 | A123-T127 WeakPolarHBondContact O-CG2 3.15Å; A123-T127 PolarHBondContact O-N 3.38Å; A123-T127 PolarHBondContact O-OG1 3.01Å; A124-T127 WeakPolarHBondContact CA-OG1 3.22Å; A124-T127 PolarHBondContact O-N 3.4Å; A124-T127 PolarHBondContact O-OG1 3.28Å; T127-L129 VanDerWaalsContact C-N 3.35Å; T127-L129 PolarHBondContact O-N 3.43Å; T127-L130 PolarHBondContact O-N 3.04Å; T127-Q131 WeakPolarHBondContact O-CG 3.09Å; T127-Q131 PolarHBondContact O-N 3.27Å |
| 128 | A | 83.7 | Confident | 83.4 | Confident | 50 Ų | 50 | 93 Ų | 93 | 41% | 0.413 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A124 D125 L130 Q131 R132 | A124-A128 WeakPolarHBondContact O-CB 3.5Å; A124-A128 PolarHBondContact O-N 3.47Å; D125-A128 PolarHBondContact O-N 3.06Å; A128-L130 PolarHBondContact O-N 2.86Å; A128-Q131 PolarHBondContact O-N 3.14Å; A128-R132 PolarHBondContact O-N 3.15Å |
| 129 | L | 87.2 | Confident | 83.2 | Confident | 104 Ų | 104 | 95.3 Ų | 95.3 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 174.2 | -72.8 | 174 | 0 | 0 | 0 | 112.5 | D125 A126 T127 R132 N133 | D125-L129 WeakPolarHBondContact O-CG 3.4Å; D125-L129 PolarHBondContact O-N 3.42Å; A126-L129 PolarHBondContact O-N 3.05Å; T127-L129 VanDerWaalsContact C-N 3.35Å; T127-L129 PolarHBondContact O-N 3.43Å; L129-R132 PolarHBondContact O-N 3.19Å; L129-N133 WeakPolarHBondContact O-CB 3.26Å; L129-N133 PolarHBondContact O-N 3.26Å; L129-N133 PolarHBondContact O-ND2 2.99Å; L129-N133 VanDerWaalsContact O-ND2 3.14Å |
| 130 | L | 86.2 | Confident | 83.1 | Confident | 102 Ų | 102 | 97.4 Ų | 97.4 | 53% | 0.534 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 176.4 | -73.7 | 172.9 | 0 | 0 | 0 | 112.3 | A126 T127 A128 N133 R134 | A126-L130 WeakPolarHBondContact O-CG 3.43Å; A126-L130 PolarHBondContact O-N 3.08Å; T127-L130 PolarHBondContact O-N 3.04Å; A128-L130 PolarHBondContact O-N 2.86Å; L130-N133 PolarHBondContact O-N 3.23Å; L130-R134 WeakPolarHBondContact O-CG 3.37Å; L130-R134 PolarHBondContact O-N 3.37Å |
| 131 | Q | 83.6 | Confident | 82.7 | Confident | 125 Ų | 125 | 99.6 Ų | 99.6 | 58% | 0.584 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.8 | -46.3 | 175.2 | -73.2 | 177.9 | -11.5 | 0 | 0 | 111.4 | T127 A128 N133 R134 I135 | T127-Q131 WeakPolarHBondContact O-CG 3.09Å; T127-Q131 PolarHBondContact O-N 3.27Å; A128-Q131 PolarHBondContact O-N 3.14Å; Q131-N133 VanDerWaalsContact C-N 3.33Å; Q131-N133 PolarHBondContact O-N 3.03Å; Q131-R134 WeakPolarHBondContact O-CA 3.43Å; Q131-R134 WeakPolarHBondContact O-CB 3.42Å; Q131-R134 PolarHBondContact O-N 3.41Å; Q131-I135 PolarHBondContact O-N 3.35Å |
| 132 | R | 83.5 | Confident | 81.9 | Confident | 163 Ų | 163 | 97.5 Ų | 97.5 | 62% | 0.615 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58 | -45 | 175.6 | -170.3 | 176.4 | -179.2 | 179.1 | 1.4 | 111.9 | A128 L129 R134 I135 Q136 | A128-R132 PolarHBondContact O-N 3.15Å; L129-R132 PolarHBondContact O-N 3.19Å; R132-R134 VanDerWaalsContact C-N 3.26Å; R132-R134 PolarHBondContact O-N 2.73Å; R132-I135 PolarHBondContact O-N 3.41Å; R132-Q136 WeakPolarHBondContact O-CG 3.48Å; R132-Q136 PolarHBondContact O-N 3.02Å |
| 133 | N | 85 | Confident | 81.3 | Confident | 75 Ų | 75 | 99 Ų | 99 | 40% | 0.401 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.2 | -26.1 | 175.4 | -78 | -37.8 | 0 | 0 | 0 | 113.5 | L129 L130 Q131 R137 | L129-N133 WeakPolarHBondContact O-CB 3.26Å; L129-N133 PolarHBondContact O-N 3.26Å; L129-N133 PolarHBondContact O-ND2 2.99Å; L129-N133 VanDerWaalsContact O-ND2 3.14Å; L130-N133 PolarHBondContact O-N 3.23Å; Q131-N133 VanDerWaalsContact C-N 3.33Å; Q131-N133 PolarHBondContact O-N 3.03Å; N133-R137 WeakPolarHBondContact O-CB 3.38Å; N133-R137 VanDerWaalsContact O-CG 3.31Å; N133-R137 WeakPolarHBondContact O-CG 3.29Å; N133-R137 PolarHBondContact O-N 3.44Å; N133-R137 PolarHBondContact O-NE 3.36Å |
| 134 | R | 81.7 | Confident | 80.4 | Confident | 156 Ų | 156 | 105.7 Ų | 105.7 | 59% | 0.589 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -72.6 | -46.5 | 172.6 | -77.3 | 177 | 178.7 | -171 | -0.1 | 110.9 | L130 Q131 R132 R137 Q138 | L130-R134 WeakPolarHBondContact O-CG 3.37Å; L130-R134 PolarHBondContact O-N 3.37Å; Q131-R134 WeakPolarHBondContact O-CA 3.43Å; Q131-R134 WeakPolarHBondContact O-CB 3.42Å; Q131-R134 PolarHBondContact O-N 3.41Å; R132-R134 VanDerWaalsContact C-N 3.26Å; R132-R134 PolarHBondContact O-N 2.73Å; R134-R137 PolarHBondContact O-N 3.15Å; R134-Q138 WeakPolarHBondContact O-CG 3.47Å; R134-Q138 PolarHBondContact O-N 2.9Å |
| 135 | I | 81.1 | Confident | 79.3 | Confident | 92 Ų | 92 | 111.9 Ų | 111.9 | 47% | 0.472 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.9 | -46.6 | 178.9 | -63.5 | 167.9 | 0 | 0 | 0 | 110.5 | Q131 R132 R137 Q138 Q139 | Q131-I135 PolarHBondContact O-N 3.35Å; R132-I135 PolarHBondContact O-N 3.41Å; I135-R137 VanDerWaalsContact C-N 3.32Å; I135-R137 PolarHBondContact O-N 3.33Å; I135-Q138 WeakPolarHBondContact O-CB 3.46Å; I135-Q138 PolarHBondContact O-N 3.44Å; I135-Q138 VanDerWaalsContact O-N 3.09Å; I135-Q139 WeakPolarHBondContact O-CG 3.42Å; I135-Q139 PolarHBondContact O-N 3.08Å |
| 136 | Q | 82.6 | Confident | 78 | Confident | 80 Ų | 80 | 114.7 Ų | 114.7 | 37% | 0.374 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 176.7 | -74.3 | 178.4 | -21 | 0 | 0 | 112.5 | R132 Q138 Q139 L140 | R132-Q136 WeakPolarHBondContact O-CG 3.48Å; R132-Q136 PolarHBondContact O-N 3.02Å; Q136-Q138 VanDerWaalsContact C-N 3.33Å; Q136-Q138 PolarHBondContact O-N 2.91Å; Q136-Q139 PolarHBondContact O-N 3.2Å; Q136-L140 WeakPolarHBondContact O-CG 3.42Å; Q136-L140 PolarHBondContact O-N 3.49Å |
| 137 | R | 78.6 | Confident | 76.6 | Confident | 156 Ų | 156 | 118.1 Ų | 118.1 | 59% | 0.589 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.9 | -35.5 | 175.2 | -79.2 | -177 | -69.4 | -169.4 | -0.3 | 112.7 | N133 R134 I135 F141 | N133-R137 WeakPolarHBondContact O-CB 3.38Å; N133-R137 VanDerWaalsContact O-CG 3.31Å; N133-R137 WeakPolarHBondContact O-CG 3.29Å; N133-R137 PolarHBondContact O-N 3.44Å; N133-R137 PolarHBondContact O-NE 3.36Å; R134-R137 PolarHBondContact O-N 3.15Å; I135-R137 VanDerWaalsContact C-N 3.32Å; I135-R137 PolarHBondContact O-N 3.33Å; R137-F141 VanDerWaalsContact O-CB 3.28Å; R137-F141 WeakPolarHBondContact O-CB 3.34Å; R137-F141 PolarHBondContact O-N 3.32Å |
| 138 | Q | 77.3 | Confident | 74.9 | Confident | 124 Ų | 124 | 122.1 Ų | 122.1 | 58% | 0.579 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.9 | -41.7 | 173.7 | -74.1 | 177.3 | -12.9 | 0 | 0 | 111.4 | R134 I135 Q136 F141 N142 | R134-Q138 WeakPolarHBondContact O-CG 3.47Å; R134-Q138 PolarHBondContact O-N 2.9Å; I135-Q138 WeakPolarHBondContact O-CB 3.46Å; I135-Q138 PolarHBondContact O-N 3.44Å; I135-Q138 VanDerWaalsContact O-N 3.09Å; Q136-Q138 VanDerWaalsContact C-N 3.33Å; Q136-Q138 PolarHBondContact O-N 2.91Å; Q138-F141 PolarHBondContact O-N 2.89Å; Q138-N142 WeakPolarHBondContact O-CB 3.26Å; Q138-N142 PolarHBondContact O-N 2.94Å; Q138-N142 PolarHBondContact O-ND2 3.02Å; Q138-N142 PolarHBondContact O-OD1 3.33Å |
| 139 | Q | 79.4 | Confident | 73.3 | Confident | 106 Ų | 106 | 125.7 Ų | 125.7 | 50% | 0.495 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60 | -50.5 | 174.4 | -72.4 | 172.5 | -25.8 | 0 | 0 | 111.3 | I135 Q136 F141 N142 E143 | I135-Q139 WeakPolarHBondContact O-CG 3.42Å; I135-Q139 PolarHBondContact O-N 3.08Å; Q136-Q139 PolarHBondContact O-N 3.2Å; Q139-F141 VanDerWaalsContact C-N 3.25Å; Q139-F141 PolarHBondContact O-N 3.44Å; Q139-N142 PolarHBondContact O-N 2.94Å; Q139-N142 VanDerWaalsContact O-N 3.1Å; Q139-E143 WeakPolarHBondContact O-CG 3.38Å; Q139-E143 PolarHBondContact O-N 3.08Å |
| 140 | L | 79 | Confident | 71.4 | Confident | 97 Ų | 97 | 126.7 Ų | 126.7 | 51% | 0.508 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -59.6 | -34.8 | 175.5 | -71.9 | 173 | 0 | 0 | 0 | 112.9 | Q136 R144 | Q136-L140 WeakPolarHBondContact O-CG 3.42Å; Q136-L140 PolarHBondContact O-N 3.49Å; L140-R144 WeakPolarHBondContact O-CB 3.38Å; L140-R144 VanDerWaalsContact O-CG 3.27Å; L140-R144 WeakPolarHBondContact O-CG 3.45Å; L140-R144 PolarHBondContact O-N 3.12Å; L140-R144 VanDerWaalsContact O-N 3.14Å |
| 141 | F | 75.1 | Confident | 69.3 | Low | 106 Ų | 106 | 127 Ų | 127 | 47% | 0.465 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -70.8 | -39.6 | 176.3 | -176.3 | -101.7 | 0 | 0 | 0 | 112 | R137 Q138 Q139 R144 R145 | R137-F141 VanDerWaalsContact O-CB 3.28Å; R137-F141 WeakPolarHBondContact O-CB 3.34Å; R137-F141 PolarHBondContact O-N 3.32Å; Q138-F141 PolarHBondContact O-N 2.89Å; Q139-F141 VanDerWaalsContact C-N 3.25Å; Q139-F141 PolarHBondContact O-N 3.44Å; F141-R144 PolarHBondContact O-N 2.84Å; F141-R145 HydrophobicContact CE1-CG 4.35Å; F141-R145 VanDerWaalsContact CE1-CZ 3.44Å; F141-R145 VanDerWaalsContact CZ-NE 3.28Å; F141-R145 PolarHBondContact O-N 3.44Å; F141-R145 VanDerWaalsContact O-N 3.1Å |
| 142 | N | 71.4 | Confident | 67.4 | Low | 99 Ų | 99 | 132.2 Ų | 132.2 | 53% | 0.529 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -67.8 | -42.7 | 176.5 | -69.1 | -13.3 | 0 | 0 | 0 | 111.5 | Q138 Q139 R144 R145 N146 | Q138-N142 WeakPolarHBondContact O-CB 3.26Å; Q138-N142 PolarHBondContact O-N 2.94Å; Q138-N142 PolarHBondContact O-ND2 3.02Å; Q138-N142 PolarHBondContact O-OD1 3.33Å; Q139-N142 PolarHBondContact O-N 2.94Å; Q139-N142 VanDerWaalsContact O-N 3.1Å; N142-R144 VanDerWaalsContact C-N 3.32Å; N142-R144 PolarHBondContact O-N 3.14Å; N142-R145 PolarHBondContact O-N 3.48Å; N142-R145 VanDerWaalsContact O-N 3.1Å; N142-N146 PolarHBondContact O-N 3.06Å |
| 143 | E | 68.9 | Low | 65.5 | Low | 121 Ų | 121 | 130.3 Ų | 130.3 | 57% | 0.565 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -57.6 | -44.6 | 173.4 | -74.2 | 171.8 | -173.7 | 0 | 0 | 111.3 | Q139 R145 N146 I147 | Q139-E143 WeakPolarHBondContact O-CG 3.38Å; Q139-E143 PolarHBondContact O-N 3.08Å; E143-R145 VanDerWaalsContact C-N 3.28Å; E143-R145 PolarHBondContact O-N 3.21Å; E143-N146 PolarHBondContact O-N 2.99Å; E143-N146 VanDerWaalsContact O-N 3.11Å; E143-I147 PolarHBondContact O-N 3.46Å |
| 144 | R | 64 | Low | 63.4 | Low | 195 Ų | 195 | 130.8 Ų | 130.8 | 74% | 0.736 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.6 | -27.2 | 176.2 | -75.4 | 178.7 | 179.8 | -145.8 | -1 | 114.2 | L140 F141 N142 | L140-R144 WeakPolarHBondContact O-CB 3.38Å; L140-R144 VanDerWaalsContact O-CG 3.27Å; L140-R144 WeakPolarHBondContact O-CG 3.45Å; L140-R144 PolarHBondContact O-N 3.12Å; L140-R144 VanDerWaalsContact O-N 3.14Å; F141-R144 PolarHBondContact O-N 2.84Å; N142-R144 VanDerWaalsContact C-N 3.32Å; N142-R144 PolarHBondContact O-N 3.14Å |
| 145 | R | 61.7 | Low | 61.6 | Low | 183 Ų | 183 | 132.5 Ų | 132.5 | 69% | 0.691 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -77.9 | -25.2 | 173.1 | -78.7 | -170.3 | 172.2 | -165.7 | -0.2 | 112.7 | F141 N142 E143 I147 | F141-R145 HydrophobicContact CE1-CG 4.35Å; F141-R145 VanDerWaalsContact CE1-CZ 3.44Å; F141-R145 VanDerWaalsContact CZ-NE 3.28Å; F141-R145 PolarHBondContact O-N 3.44Å; F141-R145 VanDerWaalsContact O-N 3.1Å; N142-R145 PolarHBondContact O-N 3.48Å; N142-R145 VanDerWaalsContact O-N 3.1Å; E143-R145 VanDerWaalsContact C-N 3.28Å; E143-R145 PolarHBondContact O-N 3.21Å; R145-I147 VanDerWaalsContact C-N 3.33Å |
| 146 | N | 59.4 | Low | 59.7 | Low | 150 Ų | 150 | 136.7 Ų | 136.7 | 80% | 0.802 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -80.9 | -14.9 | 175.5 | -119.1 | 10.5 | 0 | 0 | 0 | 113.1 | N142 E143 Q148 | N142-N146 PolarHBondContact O-N 3.06Å; E143-N146 PolarHBondContact O-N 2.99Å; E143-N146 VanDerWaalsContact O-N 3.11Å; N146-Q148 PolarHBondContact O-N 3.46Å; N146-Q148 VanDerWaalsContact O-N 3.17Å |
| 147 | I | 53.7 | Low | 57.8 | Low | 120 Ų | 120 | 144.4 Ų | 144.4 | 62% | 0.615 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -74.6 | 104 | 163.7 | -57.3 | 169.5 | 0 | 0 | 0 | 105.9 | E143 R145 | E143-I147 PolarHBondContact O-N 3.46Å; R145-I147 VanDerWaalsContact C-N 3.33Å |
| 148 | Q | 49.7 | Very low | 56.3 | Low | 161 Ų | 161 | 147.7 Ų | 147.7 | 75% | 0.752 | 70% | 0.698 | S | S | * | * | trans | -43.6 | 136.4 | 170.6 | -77.2 | -169.6 | -0.4 | 0 | 0 | 109 | N146 T150 | N146-Q148 PolarHBondContact O-N 3.46Å; N146-Q148 VanDerWaalsContact O-N 3.17Å; Q148-T150 PolarHBondContact O-N 2.99Å | ||
| 149 | P | 50.3 | Low | 55.1 | Low | 124 Ų | 124 | 147.9 Ų | 147.9 | 81% | 0.805 | 71% | 0.71 | S | S | * | * | trans | -62.2 | 97.5 | 169.4 | 26.7 | -30.6 | 0 | 0 | 0 | 106.4 | S151 | P149-S151 PolarHBondContact O-N 3.48Š| ||
| 150 | T | 47.8 | Very low | 53.6 | Low | 126 Ų | 126 | 148 Ų | 148 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | trans | -49.7 | 114 | 162 | 32.9 | 0 | 0 | 0 | 0 | 104.8 | Q148 R152 | Q148-T150 PolarHBondContact O-N 2.99Å; T150-R152 PolarHBondContact O-N 3.45Å | ||
| 151 | S | 41 | Very low | 51.8 | Low | 107 Ų | 107 | 154.9 Ų | 154.9 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | trans | -40.4 | 103.9 | -174 | 38.2 | 0 | 0 | 0 | 0 | 108.6 | P149 I153 | P149-S151 PolarHBondContact O-N 3.48Å; S151-I153 VanDerWaalsContact C-N 3.3Å; S151-I153 PolarHBondContact O-N 3.27Å | ||
| 152 | R | 44.8 | Very low | 50.3 | Low | 235 Ų | 235 | 161 Ų | 161 | 89% | 0.887 | 76% | 0.761 | S | S | * | * | trans | -57.5 | 108.8 | 161.7 | -101.4 | -178.3 | 169 | -176.2 | -3.1 | 103.7 | T150 A154 | T150-R152 PolarHBondContact O-N 3.45Å; R152-A154 PolarHBondContact O-N 3.42Å | ||
| 153 | I | 42.9 | Very low | 49.2 | Very low | 123 Ų | 123 | 167.4 Ų | 167.4 | 63% | 0.631 | 78% | 0.778 | S | S | * | * | trans | -48.1 | 96.6 | 163.3 | -63.9 | 170.3 | 0 | 0 | 0 | 105 | S151 Y155 | S151-I153 VanDerWaalsContact C-N 3.3Å; S151-I153 PolarHBondContact O-N 3.27Å; I153-Y155 VanDerWaalsContact C-N 3.29Å; I153-Y155 HydrophobicContact CG2-CD1 4.29Å; I153-Y155 HydrophobicContact CG2-CE1 3.97Å; I153-Y155 WeakPolarHBondContact O-CD2 3.45Å; I153-Y155 PolarHBondContact O-N 3.23Å | ||
| 154 | A | 40.4 | Very low | 47.8 | Very low | 86 Ų | 86 | 167.5 Ų | 167.5 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -75.7 | 94.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 103.9 | R152 E156 | R152-A154 PolarHBondContact O-N 3.42Å; A154-E156 VanDerWaalsContact C-N 3.33Å; A154-E156 PolarHBondContact O-N 2.93Å | ||
| 155 | Y | 44.5 | Very low | 46.7 | Very low | 192 Ų | 192 | 162.5 Ų | 162.5 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | -53.7 | 107.6 | 164 | -52.4 | -81.2 | 0 | 0 | 0 | 106.3 | I153 R157 | I153-Y155 VanDerWaalsContact C-N 3.29Å; I153-Y155 HydrophobicContact CG2-CD1 4.29Å; I153-Y155 HydrophobicContact CG2-CE1 3.97Å; I153-Y155 WeakPolarHBondContact O-CD2 3.45Å; I153-Y155 PolarHBondContact O-N 3.23Å; Y155-R157 PolarHBondContact O-N 2.96Å | ||
| 156 | E | 40.2 | Very low | 45.7 | Very low | 180 Ų | 180 | 160 Ų | 160 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | trans | -47.8 | 104.2 | 174.2 | -77.4 | -179.3 | 139.1 | 0 | 0 | 108.1 | A154 R158 | A154-E156 VanDerWaalsContact C-N 3.33Å; A154-E156 PolarHBondContact O-N 2.93Å; E156-R158 PolarHBondContact O-N 3.03Å | ||
| 157 | R | 44 | Very low | 45 | Very low | 242 Ų | 242 | 157.5 Ų | 157.5 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | trans | -69 | 91.4 | 166.7 | -67.7 | -178.2 | 92 | -167.1 | 7.6 | 105.8 | Y155 | Y155-R157 PolarHBondContact O-N 2.96Š| ||
| 158 | R | 46.1 | Very low | 44.2 | Very low | 225 Ų | 225 | 157.2 Ų | 157.2 | 85% | 0.849 | 81% | 0.808 | S | S | * | * | trans | -45.8 | 126.7 | 169.4 | -77.8 | -175.4 | 169.6 | -168.2 | -3.2 | 109.2 | E156 S160 | E156-R158 PolarHBondContact O-N 3.03Å; R158-S160 PolarHBondContact O-N 2.93Å | ||
| 159 | P | 53.5 | Low | 43.7 | Very low | 128 Ų | 128 | 156 Ų | 156 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | trans | -65.6 | 114.1 | 174.4 | 20.9 | -24.1 | 0 | 0 | 0 | 108.8 | R161 | P159-R161 PolarHBondContact O-N 2.9Å; P159-R161 VanDerWaalsContact O-N 3.12Å | ||
| 160 | S | 47.7 | Very low | 43.1 | Very low | 107 Ų | 107 | 156.9 Ų | 156.9 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | trans | -52.7 | 112.6 | 171.8 | 158.3 | 0 | 0 | 0 | 0 | 110.5 | R158 R162 | R158-S160 PolarHBondContact O-N 2.93Å; S160-R162 PolarHBondContact O-N 3.33Å | ||
| 161 | R | 40.3 | Very low | 42.6 | Very low | 243 Ų | 243 | 154 Ų | 154 | 92% | 0.917 | 81% | 0.81 | S | S | * | * | trans | -17.6 | 108.7 | 157.5 | -77.2 | 173.3 | 164.7 | 167.6 | -5.9 | 113.9 | P159 | P159-R161 PolarHBondContact O-N 2.9Å; P159-R161 VanDerWaalsContact O-N 3.12Å | ||
| 162 | R | 45 | Very low | 42.5 | Very low | 233 Ų | 233 | 154.9 Ų | 154.9 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | -134.6 | 95.8 | 148.8 | -72.2 | -168.5 | 174.9 | -147.8 | -0.4 | 105.3 | S160 | S160-R162 PolarHBondContact O-N 3.33Š| ||
| 163 | R | 46.9 | Very low | 42.2 | Very low | 235 Ų | 235 | 156 Ų | 156 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | 63.8 | 120.4 | 104.5 | -83.6 | -170.6 | -179.3 | -168.5 | -0.2 | 112.8 | |||||
| 164 | S | 40.9 | Very low | 42 | Very low | 123 Ų | 123 | 153.7 Ų | 153.7 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | trans | 79.7 | 118.6 | 161 | -36.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 165 | A | 40.9 | Very low | 41.9 | Very low | 89 Ų | 89 | 154.1 Ų | 154.1 | 74% | 0.736 | 83% | 0.83 | S | S | * | * | cis | -155.3 | 158.9 | 31.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 166 | P | 39.6 | Very low | 41.4 | Very low | 131 Ų | 131 | 156.6 Ų | 156.6 | 85% | 0.851 | 84% | 0.84 | S | S | * | * | trans | -87.9 | 117 | 165.2 | 33.2 | -23.5 | 0 | 0 | 0 | 108.6 | ||||
| 167 | A | 44.8 | Very low | 41.3 | Very low | 98 Ų | 98 | 153.3 Ų | 153.3 | 81% | 0.81 | 84% | 0.837 | S | S | * | * | trans | -126.9 | 96.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 168 | S | 36.1 | Very low | 41.4 | Very low | 113 Ų | 113 | 147.2 Ų | 147.2 | 79% | 0.79 | 83% | 0.827 | S | S | * | * | trans | -49.4 | 131.9 | 160.3 | 44.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 169 | T | 40.4 | Very low | 41.3 | Very low | 137 Ų | 137 | 142 Ų | 142 | 84% | 0.84 | 82% | 0.823 | S | S | * | * | -166.5 | 127.5 | 124.4 | -63.3 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 170 | V | 37 | Very low | 40.7 | Very low | 141 Ų | 141 | 143.7 Ų | 143.7 | 86% | 0.855 | 82% | 0.819 | S | S | * | * | trans | -69.3 | 139.2 | 177.9 | 166.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 171 | G | 37.3 | Very low | 40.3 | Very low | 65 Ų | 65 | 145.2 Ų | 145.2 | 67% | 0.67 | 82% | 0.824 | S | S | * | * | trans | 91.3 | 97.3 | 157.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 172 | S | 39.8 | Very low | 40.4 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | trans | -166.4 | 124.8 | 131 | -86 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 173 | R | 37.2 | Very low | 39.9 | Very low | 258 Ų | 258 | 131.1 Ų | 131.1 | 97% | 0.974 | 80% | 0.804 | S | S | * | * | trans | -57.3 | 130 | 173.1 | -67.1 | 168 | 173.9 | 172.7 | -3.5 | 109.2 | ||||
| 174 | G | 39.3 | Very low | 39.5 | Very low | 74 Ų | 74 | 131.2 Ų | 131.2 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | trans | -155 | 113.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 175 | A | 38.3 | Very low | 39.6 | Very low | 95 Ų | 95 | 129.4 Ų | 129.4 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -55.7 | 148.5 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S177 | A175-S177 PolarHBondContact O-N 3.06Å; A175-S177 VanDerWaalsContact O-N 3.14Å | ||
| 176 | Y | 33.7 | Very low | 39.5 | Very low | 244 Ų | 244 | 136.5 Ų | 136.5 | 96% | 0.957 | 80% | 0.8 | S | S | * | * | trans | -52.2 | 114.4 | 161.3 | -64.8 | -87.2 | 0 | 0 | 0 | 109.7 | ||||
| 177 | S | 38.3 | Very low | 39.6 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -139.8 | 119.1 | 160.2 | -172.7 | 0 | 0 | 0 | 0 | 108.4 | A175 | A175-S177 PolarHBondContact O-N 3.06Å; A175-S177 VanDerWaalsContact O-N 3.14Å | ||
| 178 | T | 46.4 | Very low | 39.5 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | -57.9 | 137 | -171 | 50.4 | 0 | 0 | 0 | 0 | 112.6 | Q180 | T178-Q180 PolarHBondContact O-N 3.12Š| ||
| 179 | P | 43.7 | Very low | 39.6 | Very low | 117 Ų | 117 | 141.8 Ų | 141.8 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -72.9 | 103.5 | 161.8 | 29.9 | -27.4 | 0 | 0 | 0 | 107.4 | V181 | P179-V181 PolarHBondContact O-N 2.96Š| ||
| 180 | Q | 40.8 | Very low | 39.8 | Very low | 162 Ų | 162 | 144.7 Ų | 144.7 | 76% | 0.757 | 80% | 0.8 | S | S | * | * | trans | -55.2 | 107 | 157.6 | -78.6 | -172.1 | -30.3 | 0 | 0 | 107.4 | T178 T182 | T178-Q180 PolarHBondContact O-N 3.12Å; Q180-T182 PolarHBondContact O-N 3.01Å | ||
| 181 | V | 40.7 | Very low | 40 | Very low | 140 Ų | 140 | 146.8 Ų | 146.8 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | -75.1 | 77.7 | 166.2 | 179.7 | 0 | 0 | 0 | 0 | 106.5 | P179 G183 | P179-V181 PolarHBondContact O-N 2.96Å; V181-G183 PolarHBondContact O-N 3.04Å | ||
| 182 | T | 40.5 | Very low | 40.2 | Very low | 114 Ų | 114 | 147.4 Ų | 147.4 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | trans | -73.9 | 108.6 | 173.4 | -56.4 | 0 | 0 | 0 | 0 | 108.6 | Q180 | Q180-T182 PolarHBondContact O-N 3.01Š| ||
| 183 | G | 34.6 | Very low | 40.3 | Very low | 66 Ų | 66 | 150.6 Ų | 150.6 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | trans | 50.2 | 77.4 | 144.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | V181 S185 | V181-G183 PolarHBondContact O-N 3.04Å; G183-S185 PolarHBondContact O-N 3.28Å | ||
| 184 | R | 39.4 | Very low | 40.3 | Very low | 237 Ų | 237 | 143.1 Ų | 143.1 | 89% | 0.894 | 78% | 0.782 | S | S | * | * | trans | -83 | 96.9 | 150.1 | -76.8 | -174.7 | -171.7 | -108.1 | -0.2 | 108.6 | W186 | R184-W186 PolarHBondContact O-N 2.78Š| ||
| 185 | S | 43.5 | Very low | 40.4 | Very low | 85 Ų | 85 | 147 Ų | 147 | 59% | 0.594 | 78% | 0.778 | S | S | * | * | trans | -65.5 | 122.6 | 166.8 | 48.4 | 0 | 0 | 0 | 0 | 109.6 | G183 Q187 | G183-S185 PolarHBondContact O-N 3.28Å; S185-Q187 PolarHBondContact O-N 3.05Å | ||
| 186 | W | 38.6 | Very low | 40.6 | Very low | 238 Ų | 238 | 149.8 Ų | 149.8 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -75.2 | 44.5 | 174.6 | -90.9 | 87.7 | 0 | 0 | 0 | 112.3 | R184 | R184-W186 PolarHBondContact O-N 2.78Š|
| 187 | Q | 41.6 | Very low | 40.8 | Very low | 177 Ų | 177 | 150 Ų | 150 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | trans | -115.8 | 9.2 | -169.5 | -86.9 | 174.9 | -15.6 | 0 | 0 | 115.6 | S185 | S185-Q187 PolarHBondContact O-N 3.05Š| ||
| 188 | S | 42.4 | Very low | 41.2 | Very low | 110 Ų | 110 | 155.4 Ų | 155.4 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -134 | 63.3 | -179.1 | 51.1 | 0 | 0 | 0 | 0 | 113 | ||
| 189 | E | 38.9 | Very low | 41.1 | Very low | 165 Ų | 165 | 155.1 Ų | 155.1 | 77% | 0.771 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -144.2 | 11.5 | 168.3 | -126.4 | 173.1 | -162.9 | 0 | 0 | 115.2 | ||
| 190 | Q | 43.4 | Very low | 41.2 | Very low | 199 Ų | 199 | 160 Ų | 160 | 93% | 0.93 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -102.4 | 4.2 | 175.1 | -79.6 | -164.8 | -15.1 | 0 | 0 | 115.1 | ||
| 191 | Q | 41.1 | Very low | 41.5 | Very low | 185 Ų | 185 | 161.2 Ų | 161.2 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -117.3 | 59.1 | -177.3 | -72.2 | -176 | -15.9 | 0 | 0 | 112.4 | ||
| 192 | S | 41.6 | Very low | 41.5 | Very low | 78 Ų | 78 | 164.5 Ų | 164.5 | 55% | 0.545 | 78% | 0.776 | S | S | . | * | trans | 179.8 | 56.9 | 160.5 | 26.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 193 | H | 42.6 | Very low | 41.5 | Very low | 193 Ų | 193 | 163.9 Ų | 163.9 | 89% | 0.894 | 78% | 0.776 | S | S | * | * | trans | -108.6 | 45.3 | 156.8 | -74 | -29.6 | 0 | 0 | 0 | 111.1 | F195 | H193-F195 VanDerWaalsContact C-N 3.28Š| ||
| 194 | S | 37.9 | Very low | 41.9 | Very low | 101 Ų | 101 | 169.4 Ų | 169.4 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | -92.6 | 56.7 | 158.2 | 46.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 195 | F | 41.2 | Very low | 42.1 | Very low | 155 Ų | 155 | 166 Ų | 166 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | trans | -130.1 | 118.2 | 171 | -76.2 | -74.9 | 0 | 0 | 0 | 111.2 | H193 | H193-F195 VanDerWaalsContact C-N 3.28Š| ||
| 196 | Q | 42.2 | Very low | 41.8 | Very low | 154 Ų | 154 | 168.8 Ų | 168.8 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | trans | 76.5 | 83.1 | 150.6 | -63.3 | 172 | -3.3 | 0 | 0 | 116.5 | R198 | Q196-R198 PolarHBondContact O-N 2.96Š| ||
| 197 | R | 38.4 | Very low | 41.9 | Very low | 248 Ų | 248 | 165.6 Ų | 165.6 | 94% | 0.936 | 80% | 0.796 | S | S | * | * | trans | -32.6 | 107.6 | 136.3 | -66.6 | 179.3 | 169.8 | -160 | -2.6 | 110.2 | P199 | R197-P199 WeakPolarHBondContact O-CD 3.37Š| ||
| 198 | R | 46.5 | Very low | 41.7 | Very low | 226 Ų | 226 | 160.1 Ų | 160.1 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -102.3 | 103.5 | 159.6 | -76.8 | -170.8 | 175.9 | -152.7 | 0.2 | 108.7 | Q196 | Q196-R198 PolarHBondContact O-N 2.96Š| ||
| 199 | P | 44.4 | Very low | 41.4 | Very low | 108 Ų | 108 | 160 Ų | 160 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | trans | -95.3 | 100.8 | 162.6 | 32.7 | -21.7 | 0 | 0 | 0 | 107.3 | R197 | R197-P199 WeakPolarHBondContact O-CD 3.37Š| ||
| 200 | R | 45.1 | Very low | 41.8 | Very low | 218 Ų | 218 | 158.3 Ų | 158.3 | 82% | 0.823 | 79% | 0.79 | S | S | * | * | trans | -177.3 | 105.5 | 167.2 | -107.9 | 155.7 | -173.8 | -159.9 | 2.6 | 112.3 | ||||
| 201 | R | 47.6 | Very low | 41.8 | Very low | 188 Ų | 188 | 157.4 Ų | 157.4 | 71% | 0.709 | 79% | 0.786 | S | S | * | * | 158.5 | 121.2 | 95.8 | -93.3 | 171 | 177.2 | -156.1 | -0.3 | 112.8 | |||||
| 202 | R | 40.9 | Very low | 41.7 | Very low | 209 Ų | 209 | 151.8 Ų | 151.8 | 79% | 0.789 | 78% | 0.777 | S | S | * | * | trans | 75 | 104.7 | 136.6 | -64.1 | -179.7 | 175 | -171.4 | -3.7 | 118.4 | ||||
| 203 | S | 39.7 | Very low | 41.5 | Very low | 102 Ų | 102 | 160.4 Ų | 160.4 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | trans | -52.9 | 124.1 | 142.4 | 40.4 | 0 | 0 | 0 | 0 | 110.3 | Q205 | S203-Q205 VanDerWaalsContact C-N 3.32Å; S203-Q205 PolarHBondContact O-N 2.98Å; S203-Q205 VanDerWaalsContact O-N 3.08Å | ||
| 204 | L | 43 | Very low | 41.1 | Very low | 181 Ų | 181 | 162.8 Ų | 162.8 | 95% | 0.948 | 80% | 0.799 | S | S | * | * | trans | -72 | 95.4 | 159.1 | -87.1 | 161.2 | 0 | 0 | 0 | 107.3 | ||||
| 205 | Q | 43.6 | Very low | 41.3 | Very low | 166 Ų | 166 | 164.3 Ų | 164.3 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | -71.1 | 144.8 | 157.8 | -78.5 | 174.5 | -17.9 | 0 | 0 | 109 | S203 L207 | S203-Q205 VanDerWaalsContact C-N 3.32Å; S203-Q205 PolarHBondContact O-N 2.98Å; S203-Q205 VanDerWaalsContact O-N 3.08Å; Q205-L207 PolarHBondContact O-N 3.11Å | ||
| 206 | V | 37.4 | Very low | 41.1 | Very low | 143 Ų | 143 | 161.1 Ų | 161.1 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -42.5 | 122.8 | 166.9 | 176.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 207 | L | 41.1 | Very low | 40.8 | Very low | 171 Ų | 171 | 163.1 Ų | 163.1 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | trans | -150.2 | 111.8 | 159.9 | -142.2 | 73.4 | 0 | 0 | 0 | 104.5 | Q205 | Q205-L207 PolarHBondContact O-N 3.11Š| ||
| 208 | G | 36.7 | Very low | 40.8 | Very low | 63 Ų | 63 | 162.6 Ų | 162.6 | 65% | 0.649 | 81% | 0.806 | S | S | * | * | 88.2 | 103 | 77 | 0 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 209 | S | 36.9 | Very low | 40.3 | Very low | 107 Ų | 107 | 155.4 Ų | 155.4 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -44.9 | 141.1 | 177.4 | -3.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 210 | P | 47.3 | Very low | 40 | Very low | 129 Ų | 129 | 154.3 Ų | 154.3 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -99.8 | 103 | 152.5 | 28.8 | -17 | 0 | 0 | 0 | 109.3 | ||||
| 211 | Q | 43.6 | Very low | 39.8 | Very low | 181 Ų | 181 | 152 Ų | 152 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -63 | 130.5 | 163.2 | -142.5 | 124.7 | -21.1 | 0 | 0 | 109.3 | ||||
| 212 | G | 37.8 | Very low | 39.4 | Very low | 67 Ų | 67 | 146.7 Ų | 146.7 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | trans | 68.7 | 115.2 | 145.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 213 | R | 38 | Very low | 39.4 | Very low | 258 Ų | 258 | 147.5 Ų | 147.5 | 97% | 0.974 | 80% | 0.8 | S | S | * | * | -168 | 122.5 | 122.1 | -102.2 | 165.6 | -171 | -134.7 | 2.7 | 110.5 | |||||
| 214 | R | 33.4 | Very low | 39.3 | Very low | 243 Ų | 243 | 150.1 Ų | 150.1 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | trans | -80.1 | 142.4 | 174.8 | -58.1 | 165.3 | 93.7 | -158.2 | 8.7 | 109.1 | ||||
| 215 | T | 42.2 | Very low | 39.1 | Very low | 134 Ų | 134 | 148.5 Ų | 148.5 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | -174.9 | 102.6 | 149.2 | 40.7 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 216 | S | 37.1 | Very low | 38.7 | Very low | 87 Ų | 87 | 145.3 Ų | 145.3 | 61% | 0.608 | 80% | 0.799 | S | S | * | * | 84.8 | 121 | 63 | 74.8 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 217 | F | 36.6 | Very low | 39 | Very low | 196 Ų | 196 | 145 Ų | 145 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | 72.4 | 142.7 | 165.4 | -53.6 | -78.9 | 0 | 0 | 0 | 115.8 | ||||
| 218 | R | 37.2 | Very low | 39 | Very low | 238 Ų | 238 | 146.5 Ų | 146.5 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | cis | -172.6 | 144.5 | 31.5 | -163.6 | 175.7 | -146.2 | -122.3 | 1.6 | 109.8 | ||||
| 219 | G | 36.4 | Very low | 39.1 | Very low | 75 Ų | 75 | 149.1 Ų | 149.1 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | 75.1 | 147 | 154.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 220 | A | 39.2 | Very low | 39.2 | Very low | 84 Ų | 84 | 150.4 Ų | 150.4 | 69% | 0.694 | 78% | 0.784 | S | S | * | * | cis | -170.5 | 162.4 | 7.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 221 | L | 41.2 | Very low | 38.8 | Very low | 170 Ų | 170 | 149.7 Ų | 149.7 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | trans | 77.8 | 137 | 157.9 | -49.6 | 169.1 | 0 | 0 | 0 | 116.7 | ||||
| 222 | S | 38.9 | Very low | 38.5 | Very low | 77 Ų | 77 | 150 Ų | 150 | 54% | 0.538 | 78% | 0.776 | S | S | . | * | cis | 178.6 | 134.1 | -2 | 160 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 223 | R | 39.4 | Very low | 38.6 | Very low | 226 Ų | 226 | 153.2 Ų | 153.2 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | 66.2 | 109.2 | 150.8 | -62.8 | 169.9 | -143.5 | -149.1 | 2.5 | 119 | ||||
| 224 | N | 37.4 | Very low | 38.8 | Very low | 156 Ų | 156 | 151.4 Ų | 151.4 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | 70.6 | 105.1 | 83.6 | -94.1 | -18 | 0 | 0 | 0 | 114.9 | |||||
| 225 | T | 39.6 | Very low | 39.1 | Very low | 148 Ų | 148 | 147.8 Ų | 147.8 | 91% | 0.908 | 77% | 0.774 | S | S | * | * | trans | -153.9 | 111.1 | 136.5 | 32.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 226 | S | 36 | Very low | 39.1 | Very low | 98 Ų | 98 | 149.6 Ų | 149.6 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | trans | -61.2 | 156.6 | 166.8 | 45.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 227 | L | 43.1 | Very low | 39.1 | Very low | 138 Ų | 138 | 156.1 Ų | 156.1 | 72% | 0.723 | 78% | 0.784 | S | S | * | * | 158.8 | 120.9 | 116.2 | -78.7 | 167.2 | 0 | 0 | 0 | 112.1 | |||||
| 228 | R | 41.2 | Very low | 39 | Very low | 202 Ų | 202 | 159.2 Ų | 159.2 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | 82.4 | 109.2 | 129.9 | -68.9 | 179.9 | 178.6 | -155.5 | 3.2 | 121.1 | |||||
| 229 | N | 38.9 | Very low | 39.1 | Very low | 117 Ų | 117 | 151.1 Ų | 151.1 | 63% | 0.626 | 78% | 0.781 | S | S | * | * | 90.5 | 114.2 | 115.5 | -66.5 | -7.9 | 0 | 0 | 0 | 120.6 | |||||
| 230 | N | 38.4 | Very low | 39.2 | Very low | 135 Ų | 135 | 155.9 Ų | 155.9 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | 63.1 | 143.5 | 127.3 | -49.3 | -24.3 | 0 | 0 | 0 | 117.1 | |||||
| 231 | T | 39 | Very low | 39 | Very low | 113 Ų | 113 | 162.7 Ų | 162.7 | 69% | 0.693 | 79% | 0.791 | S | S | * | * | cis | -176.5 | 134.7 | 37.5 | -34.1 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 232 | F | 37.7 | Very low | 39 | Very low | 189 Ų | 189 | 160.6 Ų | 160.6 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | 31.4 | 138.5 | 140.8 | -58.2 | -107.9 | 0 | 0 | 0 | 119.9 | ||||
| 233 | V | 40.5 | Very low | 38.7 | Very low | 134 Ų | 134 | 163.4 Ų | 163.4 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | -175.9 | 144.6 | 75.3 | 162.2 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 234 | R | 40.4 | Very low | 38.4 | Very low | 219 Ų | 219 | 161.8 Ų | 161.8 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | -50.4 | 144.8 | 169.9 | -67.6 | 160 | -175.9 | 174.1 | 2 | 114 | ||||
| 235 | N | 39.8 | Very low | 38.5 | Very low | 168 Ų | 168 | 166.1 Ų | 166.1 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | -158.8 | 116.2 | 128.6 | -95.8 | -25.9 | 0 | 0 | 0 | 110.3 | |||||
| 236 | Q | 43.1 | Very low | 38.7 | Very low | 172 Ų | 172 | 163.8 Ų | 163.8 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -83 | 172.4 | 174.1 | -64.6 | 178.1 | -6.9 | 0 | 0 | 110.2 | ||||
| 237 | R | 37.7 | Very low | 38.9 | Very low | 223 Ų | 223 | 167.3 Ų | 167.3 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | trans | 83.6 | 82.4 | 159.2 | -65.5 | -179.4 | 160.8 | -145.6 | -3 | 118.2 | ||||
| 238 | W | 34 | Very low | 38.8 | Very low | 262 Ų | 262 | 165.4 Ų | 165.4 | 99% | 0.992 | 80% | 0.798 | S | S | * | * | -153 | 100.7 | 127.5 | -77.9 | 91.8 | 0 | 0 | 0 | 104 | |||||
| 239 | G | 39.1 | Very low | 38.8 | Very low | 67 Ų | 67 | 168 Ų | 168 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | cis | 88.3 | 73.6 | 46.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 240 | Q | 39.5 | Very low | 38.8 | Very low | 175 Ų | 175 | 166 Ų | 166 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | 28 | 113.7 | 158.3 | -59.4 | -166.9 | -7.5 | 0 | 0 | 118.6 | ||||
| 241 | R | 33.2 | Very low | 39.2 | Very low | 227 Ų | 227 | 166.8 Ų | 166.8 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | 154.8 | 147.3 | 128.4 | -83.1 | 158.2 | 174.9 | -120.1 | -2.1 | 108.9 | |||||
| 242 | T | 42.4 | Very low | 39.1 | Very low | 126 Ų | 126 | 168.9 Ų | 168.9 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | 92.2 | 96 | 169.1 | 76.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 243 | N | 31.7 | Very low | 39.2 | Very low | 137 Ų | 137 | 171.7 Ų | 171.7 | 73% | 0.733 | 82% | 0.821 | S | S | * | * | 58 | 120 | 118.1 | -65.4 | -16.3 | 0 | 0 | 0 | 119.8 | |||||
| 244 | F | 34.3 | Very low | 38.9 | Very low | 191 Ų | 191 | 173.5 Ų | 173.5 | 84% | 0.838 | 83% | 0.826 | S | S | * | * | trans | 58.4 | 94.9 | 155 | -57.9 | -72.8 | 0 | 0 | 0 | 117.2 | ||||
| 245 | R | 38.4 | Very low | 38.9 | Very low | 247 Ų | 247 | 165.6 Ų | 165.6 | 93% | 0.932 | 81% | 0.813 | S | S | * | * | trans | -153.5 | 98.8 | 146.1 | -111.2 | 165.7 | -163.1 | -150.1 | 4.4 | 110.7 | ||||
| 246 | S | 44.1 | Very low | 38.9 | Very low | 100 Ų | 100 | 168.8 Ų | 168.8 | 70% | 0.699 | 82% | 0.815 | S | S | * | * | trans | -57.3 | 135.2 | 164.7 | 42.4 | 0 | 0 | 0 | 0 | 110.1 | S248 | S246-S248 VanDerWaalsContact C-N 3.34Å; S246-S248 PolarHBondContact O-N 3.46Å; S246-S248 PolarHBondContact O-OG 3.01Å | ||
| 247 | N | 40.4 | Very low | 38.7 | Very low | 172 Ų | 172 | 166.8 Ų | 166.8 | 92% | 0.92 | 81% | 0.814 | S | S | * | * | trans | -57.6 | 94.8 | 170.7 | -80.4 | -31.8 | 0 | 0 | 0 | 110.3 | ||||
| 248 | S | 40.7 | Very low | 39 | Very low | 98 Ų | 98 | 163 Ų | 163 | 69% | 0.685 | 81% | 0.81 | S | S | * | * | trans | -113.2 | 85.7 | 170.1 | -53.7 | 0 | 0 | 0 | 0 | 107.8 | S246 | S246-S248 VanDerWaalsContact C-N 3.34Å; S246-S248 PolarHBondContact O-N 3.46Å; S246-S248 PolarHBondContact O-OG 3.01Å | ||
| 249 | R | 41.9 | Very low | 39.4 | Very low | 255 Ų | 255 | 156.1 Ų | 156.1 | 96% | 0.962 | 80% | 0.797 | S | S | * | * | trans | -119.9 | 100.4 | 163.7 | -80.3 | -172.9 | 178.8 | 172.7 | 0 | 107.6 | ||||
| 250 | G | 39.4 | Very low | 39.5 | Very low | 77 Ų | 77 | 156.8 Ų | 156.8 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 158.3 | 62.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 251 | Q | 45 | Very low | 39.9 | Very low | 150 Ų | 150 | 154.7 Ų | 154.7 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | -60.1 | 125.6 | -168.3 | -71.9 | -89.4 | 11.1 | 0 | 0 | 114.4 | ||||
| 252 | Q | 37 | Very low | 40.3 | Very low | 158 Ų | 158 | 146.6 Ų | 146.6 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | trans | 63.4 | 94.2 | 131.2 | -64.7 | 178.4 | 5 | 0 | 0 | 120.6 | ||||
| 253 | R | 40.1 | Very low | 40.5 | Very low | 248 Ų | 248 | 148.7 Ų | 148.7 | 94% | 0.936 | 78% | 0.776 | S | S | * | * | -135.9 | 118.2 | 129 | -82.6 | -167.8 | 173.4 | -158.6 | -1.5 | 109.5 | G255 | R253-G255 PolarHBondContact O-N 2.93Š| |||
| 254 | N | 34.2 | Very low | 41.4 | Very low | 171 Ų | 171 | 146.8 Ų | 146.8 | 91% | 0.914 | 77% | 0.771 | S | S | * | * | trans | -56.3 | 98.8 | 176.8 | -72.1 | -38 | 0 | 0 | 0 | 111 | ||||
| 255 | G | 40.2 | Very low | 42.3 | Very low | 54 Ų | 54 | 142.7 Ų | 142.7 | 56% | 0.557 | 76% | 0.758 | S | S | * | * | trans | -130.3 | 113.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | R253 T257 | R253-G255 PolarHBondContact O-N 2.93Å; G255-T257 VanDerWaalsContact C-N 3.27Å; G255-T257 PolarHBondContact O-N 3.24Å | ||
| 256 | Y | 39.8 | Very low | 43.2 | Very low | 235 Ų | 235 | 133.8 Ų | 133.8 | 92% | 0.922 | 73% | 0.734 | S | S | * | * | trans | -59.5 | 88.3 | 171.9 | -67.7 | -91.8 | 0 | 0 | 0 | 109.8 | L258 | Y256-L258 PolarHBondContact O-N 2.87Š| ||
| 257 | T | 40.4 | Very low | 43.9 | Very low | 129 Ų | 129 | 138.6 Ų | 138.6 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | trans | -79.8 | 98.2 | 165.5 | 49.2 | 0 | 0 | 0 | 0 | 107.4 | G255 T259 | G255-T257 VanDerWaalsContact C-N 3.27Å; G255-T257 PolarHBondContact O-N 3.24Å; T257-T259 PolarHBondContact O-N 3.37Å | ||
| 258 | L | 43.1 | Very low | 45 | Very low | 143 Ų | 143 | 133 Ų | 133 | 75% | 0.749 | 72% | 0.715 | S | S | * | * | trans | -57.3 | 105.9 | 166.6 | -85.1 | 155.6 | 0 | 0 | 0 | 108.4 | Y256 A260 | Y256-L258 PolarHBondContact O-N 2.87Å; L258-A260 PolarHBondContact O-N 3.2Å | ||
| 259 | T | 41.8 | Very low | 46.3 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 72% | 0.724 | 71% | 0.708 | S | S | * | * | trans | -48.4 | 126.5 | 169.4 | 17.6 | 0 | 0 | 0 | 0 | 110.1 | T257 T261 | T257-T259 PolarHBondContact O-N 3.37Å; T259-T261 PolarHBondContact O-N 3.47Å | ||
| 260 | A | 42.9 | Very low | 47.9 | Very low | 81 Ų | 81 | 127.8 Ų | 127.8 | 67% | 0.669 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -78.9 | 47.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L258 | L258-A260 PolarHBondContact O-N 3.2Š|
| 261 | T | 47.7 | Very low | 49.6 | Very low | 132 Ų | 132 | 127 Ų | 127 | 81% | 0.81 | 67% | 0.673 | S | S | * | * | trans | -110.9 | 27 | -171.4 | 44.1 | 0 | 0 | 0 | 0 | 114.7 | T259 | T259-T261 PolarHBondContact O-N 3.47Š| ||
| 262 | G | 41.5 | Very low | 51.2 | Low | 57 Ų | 57 | 125.3 Ų | 125.3 | 59% | 0.588 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -148.4 | 21.6 | 180 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 263 | R | 46.1 | Very low | 53.2 | Low | 170 Ų | 170 | 124.9 Ų | 124.9 | 64% | 0.642 | 66% | 0.658 | S | S | * | * | trans | -110.3 | 23.9 | -157.8 | -72.6 | -172.8 | 173.3 | -179.2 | -0.6 | 120.5 | ||||
| 264 | P | 50.5 | Low | 55.3 | Low | 97 Ų | 97 | 117.8 Ų | 117.8 | 63% | 0.63 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -97.6 | -36.4 | 162.7 | 28.9 | -24.9 | 0 | 0 | 0 | 113.8 | S266 | P264-S266 PolarHBondContact O-N 3.28Š|
| 265 | N | 53 | Low | 57.6 | Low | 104 Ų | 104 | 112.3 Ų | 112.3 | 56% | 0.556 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -77.2 | -14.5 | -170.6 | -71.6 | -8 | 0 | 0 | 0 | 115.4 | R269 | N265-R269 PolarHBondContact O-NE 2.86Å; N265-R269 VanDerWaalsContact O-NE 3.16Å |
| 266 | S | 58 | Low | 59.7 | Low | 60 Ų | 60 | 115.3 Ų | 115.3 | 42% | 0.42 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -86.7 | -28.5 | 178.6 | 55.4 | 0 | 0 | 0 | 0 | 113 | P264 N270 | P264-S266 PolarHBondContact O-N 3.28Å; S266-N270 VanDerWaalsContact O-CB 3.27Å; S266-N270 WeakPolarHBondContact O-CB 3.43Å; S266-N270 PolarHBondContact O-N 2.99Å |
| 267 | R | 57.8 | Low | 61.7 | Low | 201 Ų | 201 | 106.2 Ų | 106.2 | 76% | 0.758 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -72.7 | -45.2 | 176.9 | -76.7 | -175.1 | 177 | -177 | -0.1 | 111.7 | N270 A271 | R267-N270 PolarHBondContact O-N 3.39Å; R267-A271 WeakPolarHBondContact O-CB 3.23Å; R267-A271 PolarHBondContact O-N 3.5Å |
| 268 | A | 64.8 | Low | 63.8 | Low | 56 Ų | 56 | 108.4 Ų | 108.4 | 46% | 0.463 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60.3 | -48.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | N270 A271 E272 | A268-N270 PolarHBondContact O-N 2.95Å; A268-A271 WeakPolarHBondContact O-CB 3.44Å; A268-A271 PolarHBondContact O-N 3.25Å; A268-A271 VanDerWaalsContact O-N 3.12Å; A268-E272 WeakPolarHBondContact O-CG 3.44Å; A268-E272 PolarHBondContact O-N 3.34Å |
| 269 | R | 67.8 | Low | 65.7 | Low | 143 Ų | 143 | 104.1 Ų | 104.1 | 54% | 0.54 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.9 | -40.6 | 175.6 | -78.8 | -173.1 | -101.5 | -174 | -14.2 | 113.2 | N265 A271 E272 Y273 | N265-R269 PolarHBondContact O-NE 2.86Å; N265-R269 VanDerWaalsContact O-NE 3.16Å; R269-A271 VanDerWaalsContact C-N 3.32Å; R269-A271 PolarHBondContact O-N 3.02Å; R269-E272 PolarHBondContact O-N 2.96Å; R269-Y273 HydrophobicContact CB-CE2 4.46Å; R269-Y273 WeakPolarHBondContact O-CD2 3.43Å; R269-Y273 PolarHBondContact O-N 3.32Å |
| 270 | N | 74.5 | Confident | 67.8 | Low | 100 Ų | 100 | 103.9 Ų | 103.9 | 54% | 0.535 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.7 | -34.7 | 174.3 | -93.4 | -14.1 | 0 | 0 | 0 | 112.6 | S266 R267 A268 Y273 L274 | S266-N270 VanDerWaalsContact O-CB 3.27Å; S266-N270 WeakPolarHBondContact O-CB 3.43Å; S266-N270 PolarHBondContact O-N 2.99Å; R267-N270 PolarHBondContact O-N 3.39Å; A268-N270 PolarHBondContact O-N 2.95Å; N270-Y273 PolarHBondContact O-N 3.27Å; N270-L274 WeakPolarHBondContact O-CB 3.49Å; N270-L274 VanDerWaalsContact O-CG 3.26Å; N270-L274 WeakPolarHBondContact O-CG 3.24Å; N270-L274 PolarHBondContact O-N 3.37Å |
| 271 | A | 76.6 | Confident | 69.4 | Low | 60 Ų | 60 | 104.6 Ų | 104.6 | 50% | 0.496 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.1 | -41.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R267 A268 R269 L274 A275 | R267-A271 WeakPolarHBondContact O-CB 3.23Å; R267-A271 PolarHBondContact O-N 3.5Å; A268-A271 WeakPolarHBondContact O-CB 3.44Å; A268-A271 PolarHBondContact O-N 3.25Å; A268-A271 VanDerWaalsContact O-N 3.12Å; R269-A271 VanDerWaalsContact C-N 3.32Å; R269-A271 PolarHBondContact O-N 3.02Å; A271-L274 PolarHBondContact O-N 2.96Å; A271-A275 WeakPolarHBondContact O-CB 3.49Å; A271-A275 PolarHBondContact O-N 2.94Å |
| 272 | E | 78.2 | Confident | 70.9 | Confident | 115 Ų | 115 | 104.1 Ų | 104.1 | 54% | 0.537 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.3 | -46 | 173.4 | -71.6 | 171.5 | -175.6 | 0 | 0 | 111.9 | A268 R269 L274 A275 Q276 | A268-E272 WeakPolarHBondContact O-CG 3.44Å; A268-E272 PolarHBondContact O-N 3.34Å; R269-E272 PolarHBondContact O-N 2.96Å; E272-L274 VanDerWaalsContact C-N 3.34Å; E272-L274 PolarHBondContact O-N 3.01Å; E272-A275 PolarHBondContact O-N 2.77Å; E272-Q276 WeakPolarHBondContact O-CG 3.31Å; E272-Q276 PolarHBondContact O-N 2.86Å |
| 273 | Y | 78 | Confident | 72.6 | Confident | 148 Ų | 148 | 103.5 Ų | 103.5 | 58% | 0.58 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.2 | -40.2 | 175.8 | -78.3 | -60.3 | 0 | 0 | 0 | 112.3 | R269 N270 Q276 A277 | R269-Y273 HydrophobicContact CB-CE2 4.46Å; R269-Y273 WeakPolarHBondContact O-CD2 3.43Å; R269-Y273 PolarHBondContact O-N 3.32Å; N270-Y273 PolarHBondContact O-N 3.27Å; Y273-Q276 PolarHBondContact O-N 3.43Å; Y273-A277 WeakPolarHBondContact O-CB 3.45Å; Y273-A277 PolarHBondContact O-N 2.92Å |
| 274 | L | 85 | Confident | 74.1 | Confident | 100 Ų | 100 | 101.4 Ų | 101.4 | 52% | 0.524 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.9 | -36.9 | 175.4 | -75.4 | 169.3 | 0 | 0 | 0 | 112 | N270 A271 E272 A277 R278 | N270-L274 WeakPolarHBondContact O-CB 3.49Å; N270-L274 VanDerWaalsContact O-CG 3.26Å; N270-L274 WeakPolarHBondContact O-CG 3.24Å; N270-L274 PolarHBondContact O-N 3.37Å; A271-L274 PolarHBondContact O-N 2.96Å; E272-L274 VanDerWaalsContact C-N 3.34Å; E272-L274 PolarHBondContact O-N 3.01Å; L274-A277 PolarHBondContact O-N 3.42Å; L274-R278 WeakPolarHBondContact O-CB 3.43Å; L274-R278 VanDerWaalsContact O-CG 3.26Å; L274-R278 WeakPolarHBondContact O-CG 3.4Å; L274-R278 PolarHBondContact O-N 2.95Å |
| 275 | A | 82.4 | Confident | 75.3 | Confident | 55 Ų | 55 | 101.4 Ų | 101.4 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.8 | -44.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | A271 E272 A277 R278 A279 | A271-A275 WeakPolarHBondContact O-CB 3.49Å; A271-A275 PolarHBondContact O-N 2.94Å; E272-A275 PolarHBondContact O-N 2.77Å; A275-A277 PolarHBondContact O-N 2.96Å; A275-R278 PolarHBondContact O-N 2.93Å; A275-A279 WeakPolarHBondContact O-CB 3.4Å; A275-A279 PolarHBondContact O-N 2.72Å |
| 276 | Q | 84.7 | Confident | 76.3 | Confident | 117 Ų | 117 | 101.7 Ų | 101.7 | 55% | 0.547 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 174.5 | -72.4 | 176 | 13.6 | 0 | 0 | 112 | E272 Y273 R278 A279 L280 | E272-Q276 WeakPolarHBondContact O-CG 3.31Å; E272-Q276 PolarHBondContact O-N 2.86Å; Y273-Q276 PolarHBondContact O-N 3.43Å; Q276-R278 PolarHBondContact O-N 3.32Å; Q276-A279 PolarHBondContact O-N 2.87Å; Q276-L280 PolarHBondContact O-N 3.14Å |
| 277 | A | 81.2 | Confident | 76.8 | Confident | 45 Ų | 45 | 103 Ų | 103 | 37% | 0.372 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y273 L274 A275 L280 I281 | Y273-A277 WeakPolarHBondContact O-CB 3.45Å; Y273-A277 PolarHBondContact O-N 2.92Å; L274-A277 PolarHBondContact O-N 3.42Å; A275-A277 PolarHBondContact O-N 2.96Å; A277-L280 PolarHBondContact O-N 3.1Å; A277-I281 WeakPolarHBondContact O-CG1 3.47Å; A277-I281 PolarHBondContact O-N 3.09Å; A277-I281 VanDerWaalsContact O-N 3.13Å |
| 278 | R | 84.5 | Confident | 76.9 | Confident | 175 Ų | 175 | 95.9 Ų | 95.9 | 66% | 0.66 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.6 | -42.4 | 175.4 | -74.6 | 171.9 | -179.9 | 178.7 | -0.1 | 112.1 | L274 A275 Q276 L280 I281 Q282 | L274-R278 WeakPolarHBondContact O-CB 3.43Å; L274-R278 VanDerWaalsContact O-CG 3.26Å; L274-R278 WeakPolarHBondContact O-CG 3.4Å; L274-R278 PolarHBondContact O-N 2.95Å; A275-R278 PolarHBondContact O-N 2.93Å; Q276-R278 PolarHBondContact O-N 3.32Å; R278-L280 PolarHBondContact O-N 3.48Å; R278-I281 PolarHBondContact O-N 3.03Å; R278-Q282 WeakPolarHBondContact O-CG 3.39Å; R278-Q282 PolarHBondContact O-N 2.87Å |
| 279 | A | 82.2 | Confident | 76.8 | Confident | 52 Ų | 52 | 99.1 Ų | 99.1 | 43% | 0.43 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A275 Q276 Q282 A283 | A275-A279 WeakPolarHBondContact O-CB 3.4Å; A275-A279 PolarHBondContact O-N 2.72Å; Q276-A279 PolarHBondContact O-N 2.87Å; A279-Q282 PolarHBondContact O-N 3.1Å; A279-A283 WeakPolarHBondContact O-CB 3.5Å; A279-A283 PolarHBondContact O-N 3.43Å |
| 280 | L | 85.7 | Confident | 76.2 | Confident | 114 Ų | 114 | 100.6 Ų | 100.6 | 60% | 0.597 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.4 | -42.5 | 174.2 | -91.4 | 160.5 | 0 | 0 | 0 | 112.5 | Q276 A277 R278 Q282 A283 Q284 | Q276-L280 PolarHBondContact O-N 3.14Å; A277-L280 PolarHBondContact O-N 3.1Å; R278-L280 PolarHBondContact O-N 3.48Å; L280-Q282 VanDerWaalsContact C-N 3.35Å; L280-A283 PolarHBondContact O-N 2.89Å; L280-Q284 WeakPolarHBondContact O-CB 3.49Å; L280-Q284 WeakPolarHBondContact O-CG 3.26Å; L280-Q284 PolarHBondContact O-N 3.26Å |
| 281 | I | 78.4 | Confident | 75.2 | Confident | 96 Ų | 96 | 104.4 Ų | 104.4 | 49% | 0.492 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 176.6 | -67.5 | 166.2 | 0 | 0 | 0 | 110.8 | A277 R278 Q284 N285 | A277-I281 WeakPolarHBondContact O-CG1 3.47Å; A277-I281 PolarHBondContact O-N 3.09Å; A277-I281 VanDerWaalsContact O-N 3.13Å; R278-I281 PolarHBondContact O-N 3.03Å; I281-Q284 PolarHBondContact O-N 3.24Å; I281-N285 PolarHBondContact O-N 2.96Å; I281-N285 PolarHBondContact O-ND2 2.88Å |
| 282 | Q | 78.3 | Confident | 73.9 | Confident | 122 Ų | 122 | 105.9 Ų | 105.9 | 57% | 0.57 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.4 | -48.8 | 175.3 | -76.3 | 178.2 | -39.6 | 0 | 0 | 111.7 | R278 A279 L280 Q284 N285 E286 | R278-Q282 WeakPolarHBondContact O-CG 3.39Å; R278-Q282 PolarHBondContact O-N 2.87Å; A279-Q282 PolarHBondContact O-N 3.1Å; L280-Q282 VanDerWaalsContact C-N 3.35Å; Q282-Q284 VanDerWaalsContact C-N 3.27Å; Q282-Q284 PolarHBondContact O-N 3.35Å; Q282-N285 PolarHBondContact O-N 2.87Å; Q282-N285 VanDerWaalsContact O-N 3.1Å; Q282-E286 WeakPolarHBondContact O-CG 3.26Å; Q282-E286 PolarHBondContact O-N 3.5Å |
| 283 | A | 77.1 | Confident | 72.6 | Confident | 43 Ų | 43 | 107.3 Ų | 107.3 | 36% | 0.355 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.7 | -35.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A279 L280 N287 | A279-A283 WeakPolarHBondContact O-CB 3.5Å; A279-A283 PolarHBondContact O-N 3.43Å; L280-A283 PolarHBondContact O-N 2.89Å; A283-N287 WeakPolarHBondContact O-CB 3.27Å; A283-N287 PolarHBondContact O-N 3.49Å; A283-N287 PolarHBondContact O-ND2 3.09Å |
| 284 | Q | 77.5 | Confident | 71.3 | Confident | 127 Ų | 127 | 106.8 Ų | 106.8 | 59% | 0.593 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.4 | -42 | 174 | -77 | -179.4 | -25.7 | 0 | 0 | 112.4 | L280 I281 Q282 N287 A288 | L280-Q284 WeakPolarHBondContact O-CB 3.49Å; L280-Q284 WeakPolarHBondContact O-CG 3.26Å; L280-Q284 PolarHBondContact O-N 3.26Å; I281-Q284 PolarHBondContact O-N 3.24Å; Q282-Q284 VanDerWaalsContact C-N 3.27Å; Q282-Q284 PolarHBondContact O-N 3.35Å; Q284-N287 PolarHBondContact O-N 3.26Å; Q284-A288 WeakPolarHBondContact O-CB 3.37Å; Q284-A288 PolarHBondContact O-N 2.7Å |
| 285 | N | 75.7 | Confident | 69.2 | Low | 96 Ų | 96 | 105.7 Ų | 105.7 | 51% | 0.513 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.5 | -37.9 | 176.8 | -71.5 | -26.6 | 0 | 0 | 0 | 112.1 | I281 Q282 A288 Q289 | I281-N285 PolarHBondContact O-N 2.96Å; I281-N285 PolarHBondContact O-ND2 2.88Å; Q282-N285 PolarHBondContact O-N 2.87Å; Q282-N285 VanDerWaalsContact O-N 3.1Å; N285-A288 PolarHBondContact O-N 3.48Å; N285-Q289 WeakPolarHBondContact O-CG 3.48Å; N285-Q289 PolarHBondContact O-N 2.8Å |
| 286 | E | 74.3 | Confident | 67.6 | Low | 111 Ų | 111 | 109 Ų | 109 | 52% | 0.519 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.5 | -41.4 | 174.8 | -73.5 | 173 | -167.1 | 0 | 0 | 111.7 | Q282 Q289 R290 | Q282-E286 WeakPolarHBondContact O-CG 3.26Å; Q282-E286 PolarHBondContact O-N 3.5Å; E286-Q289 PolarHBondContact O-N 2.91Å; E286-R290 WeakPolarHBondContact O-CG 3.48Å; E286-R290 PolarHBondContact O-N 2.93Å |
| 287 | N | 68.3 | Low | 65.7 | Low | 86 Ų | 86 | 110.4 Ų | 110.4 | 46% | 0.46 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.6 | -40.7 | 174.2 | -76.2 | -21.1 | 0 | 0 | 0 | 112 | A283 Q284 Q289 R290 Y291 | A283-N287 WeakPolarHBondContact O-CB 3.27Å; A283-N287 PolarHBondContact O-N 3.49Å; A283-N287 PolarHBondContact O-ND2 3.09Å; Q284-N287 PolarHBondContact O-N 3.26Å; N287-Q289 VanDerWaalsContact C-N 3.31Å; N287-Q289 PolarHBondContact O-N 2.74Å; N287-R290 PolarHBondContact O-N 3.09Å; N287-Y291 WeakPolarHBondContact O-CD2 3.44Å; N287-Y291 PolarHBondContact O-N 3.41Å; N287-Y291 VanDerWaalsContact O-N 3.16Å |
| 288 | A | 60.7 | Low | 63.9 | Low | 53 Ų | 53 | 111.8 Ų | 111.8 | 44% | 0.438 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.9 | -40.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q284 N285 R290 Y291 D292 | Q284-A288 WeakPolarHBondContact O-CB 3.37Å; Q284-A288 PolarHBondContact O-N 2.7Å; N285-A288 PolarHBondContact O-N 3.48Å; A288-R290 PolarHBondContact O-N 3.37Å; A288-Y291 PolarHBondContact O-N 3.02Å; A288-D292 PolarHBondContact O-N 2.93Å; A288-D292 VanDerWaalsContact O-N 3.15Å |
| 289 | Q | 60.9 | Low | 61.8 | Low | 124 Ų | 124 | 109 Ų | 109 | 58% | 0.579 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.4 | -36.3 | 174.8 | -73.1 | 179.5 | -8.7 | 0 | 0 | 112.7 | N285 E286 N287 Y291 D292 L293 | N285-Q289 WeakPolarHBondContact O-CG 3.48Å; N285-Q289 PolarHBondContact O-N 2.8Å; E286-Q289 PolarHBondContact O-N 2.91Å; N287-Q289 VanDerWaalsContact C-N 3.31Å; N287-Q289 PolarHBondContact O-N 2.74Å; Q289-Y291 VanDerWaalsContact C-N 3.33Å; Q289-Y291 PolarHBondContact O-N 3.21Å; Q289-D292 PolarHBondContact O-N 3.11Å; Q289-L293 WeakPolarHBondContact O-CD1 3.28Å; Q289-L293 PolarHBondContact O-N 3.04Å |
| 290 | R | 57.1 | Low | 59.9 | Low | 173 Ų | 173 | 111.3 Ų | 111.3 | 65% | 0.653 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.3 | -36.9 | 175.8 | -72.6 | 178 | -179.1 | -145.8 | -0.1 | 112.4 | E286 N287 A288 | E286-R290 WeakPolarHBondContact O-CG 3.48Å; E286-R290 PolarHBondContact O-N 2.93Å; N287-R290 PolarHBondContact O-N 3.09Å; A288-R290 PolarHBondContact O-N 3.37Å |
| 291 | Y | 52.7 | Low | 57.8 | Low | 180 Ų | 180 | 116.2 Ų | 116.2 | 71% | 0.706 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -77.1 | -19.5 | 176.6 | -70.7 | -68.3 | 0 | 0 | 0 | 113.8 | N287 A288 Q289 | N287-Y291 WeakPolarHBondContact O-CD2 3.44Å; N287-Y291 PolarHBondContact O-N 3.41Å; N287-Y291 VanDerWaalsContact O-N 3.16Å; A288-Y291 PolarHBondContact O-N 3.02Å; Q289-Y291 VanDerWaalsContact C-N 3.33Å; Q289-Y291 PolarHBondContact O-N 3.21Å |
| 292 | D | 49.8 | Very low | 56.2 | Low | 92 Ų | 92 | 117 Ų | 117 | 49% | 0.492 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -78.4 | -20 | 173.5 | -91.4 | -16.2 | 0 | 0 | 0 | 113.2 | A288 Q289 | A288-D292 PolarHBondContact O-N 2.93Å; A288-D292 VanDerWaalsContact O-N 3.15Å; Q289-D292 PolarHBondContact O-N 3.11Å |
| 293 | L | 51.2 | Low | 54.7 | Low | 145 Ų | 145 | 115.7 Ų | 115.7 | 76% | 0.759 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -82.6 | -22 | 177.6 | -88.9 | 100.1 | 0 | 0 | 0 | 114.1 | Q289 | Q289-L293 WeakPolarHBondContact O-CD1 3.28Å; Q289-L293 PolarHBondContact O-N 3.04Å |
| 294 | D | 50.1 | Low | 53.2 | Low | 137 Ų | 137 | 124.5 Ų | 124.5 | 73% | 0.733 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -93 | 3.2 | -175.5 | -70 | -21.7 | 0 | 0 | 0 | 113.6 | ||
| 295 | N | 40.2 | Very low | 51.5 | Low | 77 Ų | 77 | 122.5 Ų | 122.5 | 41% | 0.412 | 63% | 0.63 | S | S | . | * | trans | -138.8 | 97.4 | 178.6 | -158.3 | 22.5 | 0 | 0 | 0 | 112.1 | N297 T298 | N295-N297 PolarHBondContact O-N 3.35Å; N295-T298 WeakPolarHBondContact ND2-CG2 3.46Å; N295-T298 PolarHBondContact ND2-OG1 3.1Å | ||
| 296 | P | 49.5 | Very low | 49.7 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 81% | 0.805 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 1.5 | -179.3 | 26.7 | -32.8 | 0 | 0 | 0 | 114.3 | ||
| 297 | N | 44.9 | Very low | 48 | Very low | 147 Ų | 147 | 128 Ų | 128 | 79% | 0.786 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.5 | 9.3 | -169.6 | -88.3 | -18.1 | 0 | 0 | 0 | 116.2 | N295 | N295-N297 PolarHBondContact O-N 3.35Š|
| 298 | T | 43.5 | Very low | 46.8 | Very low | 73 Ų | 73 | 127.4 Ų | 127.4 | 45% | 0.448 | 66% | 0.662 | S | S | . | * | trans | -116.2 | 89 | 173.2 | 41.7 | 0 | 0 | 0 | 0 | 110.8 | N295 V300 | N295-T298 WeakPolarHBondContact ND2-CG2 3.46Å; N295-T298 PolarHBondContact ND2-OG1 3.1Å; T298-V300 PolarHBondContact O-N 3.42Å | ||
| 299 | S | 40.1 | Very low | 46 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 81% | 0.811 | 68% | 0.677 | S | S | * | * | trans | -60.5 | 80 | 163.8 | 150.8 | 0 | 0 | 0 | 0 | 109.5 | W301 | S299-W301 PolarHBondContact O-N 2.97Š| ||
| 300 | V | 43.1 | Very low | 45.1 | Very low | 102 Ų | 102 | 133 Ų | 133 | 62% | 0.618 | 69% | 0.689 | S | S | * | * | trans | -80 | 105.5 | 166.9 | -175.5 | 0 | 0 | 0 | 0 | 106.8 | T298 N302 | T298-V300 PolarHBondContact O-N 3.42Å; V300-N302 PolarHBondContact O-N 2.91Å | ||
| 301 | W | 39.7 | Very low | 44.5 | Very low | 217 Ų | 217 | 134.9 Ų | 134.9 | 82% | 0.822 | 70% | 0.696 | S | S | * | * | trans | -49.1 | 108.3 | -176.4 | -145 | 86 | 0 | 0 | 0 | 111.6 | S299 P303 | S299-W301 PolarHBondContact O-N 2.97Å; W301-P303 HydrophobicContact CZ3-CB 4.47Å; W301-P303 WeakPolarHBondContact O-CD 3.45Å | ||
| 302 | N | 45.3 | Very low | 43.9 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 59% | 0.594 | 69% | 0.692 | S | S | * | * | trans | -86.1 | 113.5 | -179.8 | -167.3 | -8.4 | 0 | 0 | 0 | 110 | V300 R304 | V300-N302 PolarHBondContact O-N 2.91Å; N302-R304 PolarHBondContact O-N 2.69Å | ||
| 303 | P | 46.9 | Very low | 43.7 | Very low | 96 Ų | 96 | 134.4 Ų | 134.4 | 62% | 0.623 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | 15.7 | -173.2 | 32.4 | -35 | 0 | 0 | 0 | 114 | W301 | W301-P303 HydrophobicContact CZ3-CB 4.47Å; W301-P303 WeakPolarHBondContact O-CD 3.45Å |
| 304 | R | 46.9 | Very low | 43.5 | Very low | 227 Ų | 227 | 134 Ų | 134 | 86% | 0.857 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -1.9 | -176.1 | -84.9 | -177.4 | 162 | 178.9 | -3.6 | 115.5 | N302 | N302-R304 PolarHBondContact O-N 2.69Š|
| 305 | S | 40.5 | Very low | 43.4 | Very low | 86 Ų | 86 | 136 Ų | 136 | 60% | 0.601 | 70% | 0.702 | S | S | * | * | trans | -115 | 81.9 | -179.6 | -46.6 | 0 | 0 | 0 | 0 | 110 | S307 | S305-S307 PolarHBondContact O-N 3.05Š| ||
| 306 | Y | 38.2 | Very low | 43.4 | Very low | 225 Ų | 225 | 141.5 Ų | 141.5 | 88% | 0.882 | 72% | 0.718 | S | S | * | * | trans | -74.9 | 69.9 | 161.2 | -86.5 | -88.2 | 0 | 0 | 0 | 108.9 | ||||
| 307 | S | 38.3 | Very low | 43.3 | Very low | 96 Ų | 96 | 139 Ų | 139 | 67% | 0.671 | 71% | 0.708 | S | S | * | * | trans | -116.4 | 112.7 | 155.4 | 23.3 | 0 | 0 | 0 | 0 | 104.4 | S305 | S305-S307 PolarHBondContact O-N 3.05Š| ||
| 308 | A | 43.4 | Very low | 43.5 | Very low | 75 Ų | 75 | 140.6 Ų | 140.6 | 62% | 0.62 | 71% | 0.708 | S | S | * | * | trans | -42.9 | 137 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | H310 | A308-H310 VanDerWaalsContact C-N 3.31Å; A308-H310 PolarHBondContact O-N 3.17Å | ||
| 309 | P | 43.5 | Very low | 43.8 | Very low | 116 Ų | 116 | 146 Ų | 146 | 75% | 0.753 | 72% | 0.722 | S | S | * | * | trans | -64 | 109.6 | 154 | 28.6 | -25.4 | 0 | 0 | 0 | 103.7 | R311 | P309-R311 PolarHBondContact O-N 3.17Š| ||
| 310 | H | 42.6 | Very low | 44.2 | Very low | 179 Ų | 179 | 151.4 Ų | 151.4 | 83% | 0.829 | 72% | 0.724 | S | S | * | * | trans | -52.1 | 98.3 | 160.3 | -80.1 | -99.9 | 0 | 0 | 0 | 104.8 | A308 N312 | A308-H310 VanDerWaalsContact C-N 3.31Å; A308-H310 PolarHBondContact O-N 3.17Å; H310-N312 PolarHBondContact O-N 3.45Å | ||
| 311 | R | 44.6 | Very low | 44.4 | Very low | 212 Ų | 212 | 153.9 Ų | 153.9 | 80% | 0.8 | 73% | 0.734 | S | S | * | * | trans | -50.6 | 114 | 166.3 | -76.7 | -179.2 | 173.2 | -170.4 | -3.7 | 103.3 | P309 L313 | P309-R311 PolarHBondContact O-N 3.17Å; R311-L313 HydrophobicContact CB-CG 4.25Å; R311-L313 PolarHBondContact O-N 3.14Å | ||
| 312 | N | 40.1 | Very low | 44.4 | Very low | 117 Ų | 117 | 155.2 Ų | 155.2 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | trans | -61.4 | 82.5 | 168.1 | -160.8 | -4.7 | 0 | 0 | 0 | 105.8 | H310 N314 Y315 | H310-N312 PolarHBondContact O-N 3.45Å; N312-N314 PolarHBondContact O-N 3.36Å; N312-N314 VanDerWaalsContact O-N 3.08Å; N312-Y315 PolarHBondContact O-N 3.08Å | ||
| 313 | L | 44.9 | Very low | 44.4 | Very low | 145 Ų | 145 | 157.4 Ų | 157.4 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 1.9 | -179.7 | -85.6 | 155.9 | 0 | 0 | 0 | 111.3 | R311 | R311-L313 HydrophobicContact CB-CG 4.25Å; R311-L313 PolarHBondContact O-N 3.14Å |
| 314 | N | 48.3 | Very low | 44.2 | Very low | 136 Ų | 136 | 160.6 Ų | 160.6 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -1.4 | 175.5 | -76.7 | -7.4 | 0 | 0 | 0 | 114.5 | N312 | N312-N314 PolarHBondContact O-N 3.36Å; N312-N314 VanDerWaalsContact O-N 3.08Å |
| 315 | Y | 47 | Very low | 44.1 | Very low | 180 Ų | 180 | 156.9 Ų | 156.9 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -88.2 | -11 | -179.1 | -132.8 | -91.4 | 0 | 0 | 0 | 114.9 | N312 | N312-Y315 PolarHBondContact O-N 3.08Š|
| 316 | Y | 40.9 | Very low | 44.3 | Very low | 191 Ų | 191 | 161.1 Ų | 161.1 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -123.7 | 7.3 | 179.4 | -76.7 | -78.4 | 0 | 0 | 0 | 114.6 | K318 | Y316-K318 PolarHBondContact O-N 3.32Š|
| 317 | A | 47.6 | Very low | 44.7 | Very low | 71 Ų | 71 | 157.1 Ų | 157.1 | 59% | 0.587 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 4.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 318 | K | 48.7 | Very low | 45.1 | Very low | 182 Ų | 182 | 161.2 Ų | 161.2 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | 10 | -176 | -144.6 | 178.7 | -176.4 | -178.5 | 0 | 114.6 | Y316 | Y316-K318 PolarHBondContact O-N 3.32Š|
| 319 | Y | 49.7 | Very low | 45.2 | Very low | 187 Ų | 187 | 167.4 Ų | 167.4 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -136.3 | 15.6 | -174.8 | -65 | -73.2 | 0 | 0 | 0 | 114.3 | ||
| 320 | W | 48 | Very low | 45.3 | Very low | 228 Ų | 228 | 171.3 Ų | 171.3 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -127.4 | 10 | -175.2 | -82.8 | 71.6 | 0 | 0 | 0 | 114.7 | ||||
| 321 | D | 46.4 | Very low | 45.6 | Very low | 154 Ų | 154 | 170.7 Ų | 170.7 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | -101.8 | 90.2 | 162.2 | -75.4 | -26.9 | 0 | 0 | 0 | 107.8 | ||||
| 322 | N | 40.6 | Very low | 45.7 | Very low | 245 Ų | 245 | 166.9 Ų | 166.9 | 100% | 1.31 | 79% | 0.789 | S | S | * | * | trans | -159.2 | 0 | 160.6 | -98.5 | -13.5 | 0 | 0 | 0 | 109.4 |
Retrieved 322 of 322 residues in 414.9 ms
(Link to these results)