| 1 | M | 51.8 | Low | 65 | Low | 185 Ų | 185 | 105.7 Ų | 105.7 | 91% | 0.911 | 57% | 0.57 | S | S | * | * | | | | 0 | -2.8 | 0 | -150.9 | 171.5 | -159.8 | 0 | 0 | 112.2 | | |
| 2 | E | 56.9 | Low | 67 | Low | 138 Ų | 138 | 103.6 Ų | 103.6 | 65% | 0.645 | 56% | 0.558 | S | S | * | * | | | trans | -78.4 | -30.4 | -167.9 | -64.2 | 69.2 | -155.1 | 0 | 0 | 112.7 | I4 N5 | E2-I4 PolarHBondContact O-N 3.19Å; E2-I4 VanDerWaalsContact O-N 3.11Å; E2-N5 WeakPolarHBondContact O-CB 3.25Å; E2-N5 PolarHBondContact O-N 3.49Å |
| 3 | D | 56.9 | Low | 68.8 | Low | 127 Ų | 127 | 104.3 Ų | 104.3 | 68% | 0.679 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -58.7 | -30.9 | -170.3 | -42.7 | -84.8 | 0 | 0 | 0 | 113.5 | N5 S6 N7 | D3-N5 VanDerWaalsContact C-N 3.33Å; D3-N5 PolarHBondContact O-N 3.34Å; D3-S6 PolarHBondContact O-N 3.34Å; D3-N7 PolarHBondContact O-N 3.26Å |
| 4 | I | 59.2 | Low | 70.6 | Confident | 107 Ų | 107 | 102 Ų | 102 | 55% | 0.549 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 179.6 | -58.3 | 173.1 | 0 | 0 | 0 | 110.6 | E2 N7 I8 | E2-I4 PolarHBondContact O-N 3.19Å; E2-I4 VanDerWaalsContact O-N 3.11Å; I4-N7 PolarHBondContact O-N 3.13Å; I4-I8 HydrophobicContact CG2-CD1 3.97Å; I4-I8 VanDerWaalsContact O-CG1 3.31Å; I4-I8 WeakPolarHBondContact O-CG1 3.37Å; I4-I8 PolarHBondContact O-N 3.08Å; I4-I8 VanDerWaalsContact O-N 3.09Å |
| 5 | N | 58 | Low | 72.1 | Confident | 112 Ų | 112 | 103.4 Ų | 103.4 | 60% | 0.599 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -71.1 | -37.6 | -178 | -65.8 | -24.4 | 0 | 0 | 0 | 111.7 | E2 D3 N7 I8 N9 | E2-N5 WeakPolarHBondContact O-CB 3.25Å; E2-N5 PolarHBondContact O-N 3.49Å; D3-N5 VanDerWaalsContact C-N 3.33Å; D3-N5 PolarHBondContact O-N 3.34Å; N5-N7 VanDerWaalsContact C-N 3.35Å; N5-I8 PolarHBondContact O-N 3.22Å; N5-N9 PolarHBondContact O-N 3.16Å; N5-N9 VanDerWaalsContact O-N 3.14Å |
| 6 | S | 61.2 | Low | 73.5 | Confident | 86 Ų | 86 | 105.6 Ų | 105.6 | 60% | 0.601 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.9 | -42.6 | 174.6 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | D3 N9 A10 | D3-S6 PolarHBondContact O-N 3.34Å; S6-N9 PolarHBondContact O-N 3.4Å; S6-A10 PolarHBondContact O-N 3.2Å; S6-A10 VanDerWaalsContact O-N 3.13Å |
| 7 | N | 60.1 | Low | 74.8 | Confident | 103 Ų | 103 | 104.9 Ų | 104.9 | 55% | 0.551 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.7 | -40.9 | 178.2 | -163.8 | 44.1 | 0 | 0 | 0 | 112.2 | D3 I4 N5 N9 A10 D11 | D3-N7 PolarHBondContact O-N 3.26Å; I4-N7 PolarHBondContact O-N 3.13Å; N5-N7 VanDerWaalsContact C-N 3.35Å; N7-N9 VanDerWaalsContact C-N 3.27Å; N7-N9 PolarHBondContact O-N 2.78Å; N7-A10 PolarHBondContact O-N 3.03Å; N7-A10 VanDerWaalsContact O-N 3.15Å; N7-D11 PolarHBondContact O-N 3.34Å |
| 8 | I | 69.4 | Low | 75.9 | Confident | 88 Ų | 88 | 105.6 Ų | 105.6 | 45% | 0.451 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59 | -38.6 | 174.7 | -70.3 | 164.3 | 0 | 0 | 0 | 111.5 | I4 N5 L12 | I4-I8 HydrophobicContact CG2-CD1 3.97Å; I4-I8 VanDerWaalsContact O-CG1 3.31Å; I4-I8 WeakPolarHBondContact O-CG1 3.37Å; I4-I8 PolarHBondContact O-N 3.08Å; I4-I8 VanDerWaalsContact O-N 3.09Å; N5-I8 PolarHBondContact O-N 3.22Å; I8-L12 HydrophobicContact CG2-CD1 4.13Å; I8-L12 VanDerWaalsContact O-CG 3.28Å; I8-L12 WeakPolarHBondContact O-CG 3.28Å; I8-L12 PolarHBondContact O-N 2.83Å; I8-L12 VanDerWaalsContact O-N 3.09Å |
| 9 | N | 73.3 | Confident | 77 | Confident | 95 Ų | 95 | 105.2 Ų | 105.2 | 51% | 0.508 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.2 | -39.8 | 176 | -169.9 | 62.4 | 0 | 0 | 0 | 112.3 | N5 S6 N7 L12 E13 | N5-N9 PolarHBondContact O-N 3.16Å; N5-N9 VanDerWaalsContact O-N 3.14Å; S6-N9 PolarHBondContact O-N 3.4Å; N7-N9 VanDerWaalsContact C-N 3.27Å; N7-N9 PolarHBondContact O-N 2.78Å; N9-L12 PolarHBondContact O-N 3.23Å; N9-E13 PolarHBondContact O-N 2.73Å |
| 10 | A | 82.4 | Confident | 77.9 | Confident | 44 Ų | 44 | 104.7 Ų | 104.7 | 36% | 0.364 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S6 N7 L12 E13 V14 | S6-A10 PolarHBondContact O-N 3.2Å; S6-A10 VanDerWaalsContact O-N 3.13Å; N7-A10 PolarHBondContact O-N 3.03Å; N7-A10 VanDerWaalsContact O-N 3.15Å; A10-L12 VanDerWaalsContact C-N 3.27Å; A10-L12 PolarHBondContact O-N 3.27Å; A10-E13 PolarHBondContact O-N 2.76Å; A10-E13 VanDerWaalsContact O-N 3.13Å; A10-V14 WeakPolarHBondContact O-CG2 3.34Å; A10-V14 PolarHBondContact O-N 3.35Å |
| 11 | D | 86.2 | Confident | 78.8 | Confident | 78 Ų | 78 | 103.4 Ų | 103.4 | 42% | 0.417 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.6 | -33 | 174.4 | -86.2 | -33.5 | 0 | 0 | 0 | 112.8 | N7 R15 | N7-D11 PolarHBondContact O-N 3.34Å; D11-R15 WeakPolarHBondContact O-CB 3.49Å; D11-R15 PolarHBondContact O-N 3.31Å; D11-R15 VanDerWaalsContact O-N 3.15Å; D11-R15 PolarHBondContact O-NH1 2.91Å |
| 12 | L | 89.3 | Confident | 81 | Confident | 80 Ų | 80 | 101.2 Ų | 101.2 | 42% | 0.419 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72.9 | -35.7 | 173.9 | -74 | 167.3 | 0 | 0 | 0 | 112.2 | I8 N9 A10 K16 | I8-L12 HydrophobicContact CG2-CD1 4.13Å; I8-L12 VanDerWaalsContact O-CG 3.28Å; I8-L12 WeakPolarHBondContact O-CG 3.28Å; I8-L12 PolarHBondContact O-N 2.83Å; I8-L12 VanDerWaalsContact O-N 3.09Å; N9-L12 PolarHBondContact O-N 3.23Å; A10-L12 VanDerWaalsContact C-N 3.27Å; A10-L12 PolarHBondContact O-N 3.27Å; L12-K16 VanDerWaalsContact O-CG 3.25Å; L12-K16 WeakPolarHBondContact O-CG 3.25Å; L12-K16 PolarHBondContact O-N 3.34Å; L12-K16 VanDerWaalsContact O-N 3.08Å |
| 13 | E | 89.4 | Confident | 82.9 | Confident | 113 Ų | 113 | 100.8 Ų | 100.8 | 53% | 0.528 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.9 | -46 | 174.9 | -171.7 | 169.3 | -179.2 | 0 | 0 | 111.8 | N9 A10 R15 K16 L17 | N9-E13 PolarHBondContact O-N 2.73Å; A10-E13 PolarHBondContact O-N 2.76Å; A10-E13 VanDerWaalsContact O-N 3.13Å; E13-R15 VanDerWaalsContact C-N 3.27Å; E13-R15 PolarHBondContact O-N 3.15Å; E13-K16 WeakPolarHBondContact O-CB 3.32Å; E13-K16 PolarHBondContact O-N 3.25Å; E13-K16 VanDerWaalsContact O-N 3.17Å; E13-L17 HydrophobicContact CG-CD1 4.26Å; E13-L17 WeakPolarHBondContact O-CG 3.45Å; E13-L17 PolarHBondContact O-N 3.06Å |
| 14 | V | 93.8 | Very high | 84.7 | Confident | 72 Ų | 72 | 99.3 Ų | 99.3 | 44% | 0.436 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -56 | -42 | 173.3 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | A10 L17 Q18 | A10-V14 WeakPolarHBondContact O-CG2 3.34Å; A10-V14 PolarHBondContact O-N 3.35Å; V14-L17 PolarHBondContact O-N 3.14Å; V14-Q18 VanDerWaalsContact O-CG 3.3Å; V14-Q18 WeakPolarHBondContact O-CG 3.49Å; V14-Q18 PolarHBondContact O-N 3.06Å |
| 15 | R | 93.8 | Very high | 86.5 | Confident | 123 Ų | 123 | 100 Ų | 100 | 46% | 0.464 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 177.4 | -164 | 168.9 | -63.6 | 100.2 | 9.5 | 112.6 | D11 E13 L17 Q18 D19 | D11-R15 WeakPolarHBondContact O-CB 3.49Å; D11-R15 PolarHBondContact O-N 3.31Å; D11-R15 VanDerWaalsContact O-N 3.15Å; D11-R15 PolarHBondContact O-NH1 2.91Å; E13-R15 VanDerWaalsContact C-N 3.27Å; E13-R15 PolarHBondContact O-N 3.15Å; R15-L17 VanDerWaalsContact C-N 3.31Å; R15-L17 PolarHBondContact O-N 3.16Å; R15-Q18 PolarHBondContact O-N 3.47Å; R15-D19 PolarHBondContact O-N 2.82Å |
| 16 | K | 93.9 | Very high | 88.3 | Confident | 139 Ų | 139 | 100.6 Ų | 100.6 | 60% | 0.604 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.3 | -39.7 | 172.5 | -71 | 164.5 | -172.8 | 172.3 | 0 | 112.1 | L12 E13 L20 | L12-K16 VanDerWaalsContact O-CG 3.25Å; L12-K16 WeakPolarHBondContact O-CG 3.25Å; L12-K16 PolarHBondContact O-N 3.34Å; L12-K16 VanDerWaalsContact O-N 3.08Å; E13-K16 WeakPolarHBondContact O-CB 3.32Å; E13-K16 PolarHBondContact O-N 3.25Å; E13-K16 VanDerWaalsContact O-N 3.17Å; K16-L20 WeakPolarHBondContact O-CB 3.41Å; K16-L20 PolarHBondContact O-N 3.05Å |
| 17 | L | 96.3 | Very high | 89.9 | Confident | 93 Ų | 93 | 101 Ų | 101 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.2 | -39.1 | 176.8 | -70.3 | 170.2 | 0 | 0 | 0 | 111.8 | E13 V14 R15 L20 V21 | E13-L17 HydrophobicContact CG-CD1 4.26Å; E13-L17 WeakPolarHBondContact O-CG 3.45Å; E13-L17 PolarHBondContact O-N 3.06Å; V14-L17 PolarHBondContact O-N 3.14Å; R15-L17 VanDerWaalsContact C-N 3.31Å; R15-L17 PolarHBondContact O-N 3.16Å; L17-L20 PolarHBondContact O-N 3.32Å; L17-V21 WeakPolarHBondContact O-CG2 3.29Å; L17-V21 PolarHBondContact O-N 3.33Å |
| 18 | Q | 95.2 | Very high | 91.5 | Very high | 118 Ų | 118 | 99.7 Ų | 99.7 | 55% | 0.551 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.6 | -45.7 | 173.3 | -73.7 | 168.7 | -5.5 | 0 | 0 | 112 | V14 R15 L20 V21 K22 | V14-Q18 VanDerWaalsContact O-CG 3.3Å; V14-Q18 WeakPolarHBondContact O-CG 3.49Å; V14-Q18 PolarHBondContact O-N 3.06Å; R15-Q18 PolarHBondContact O-N 3.47Å; Q18-L20 VanDerWaalsContact C-N 3.33Å; Q18-L20 PolarHBondContact O-N 3.18Å; Q18-V21 PolarHBondContact O-N 2.88Å; Q18-K22 VanDerWaalsContact O-CB 3.32Å; Q18-K22 WeakPolarHBondContact O-CB 3.25Å; Q18-K22 PolarHBondContact O-N 3.02Å |
| 19 | D | 95.4 | Very high | 92.6 | Very high | 98 Ų | 98 | 100.1 Ų | 100.1 | 52% | 0.524 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.5 | -36.7 | 175.4 | -75 | -36.5 | 0 | 0 | 0 | 112.2 | R15 K23 | R15-D19 PolarHBondContact O-N 2.82Å; D19-K23 WeakPolarHBondContact O-CB 3.45Å; D19-K23 PolarHBondContact O-N 3.37Å |
| 20 | L | 96.5 | Very high | 93.5 | Very high | 94 Ų | 94 | 100.9 Ų | 100.9 | 49% | 0.492 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.3 | -46 | 175.1 | -179.1 | 62.2 | 0 | 0 | 0 | 112.1 | K16 L17 Q18 K23 L24 | K16-L20 WeakPolarHBondContact O-CB 3.41Å; K16-L20 PolarHBondContact O-N 3.05Å; L17-L20 PolarHBondContact O-N 3.32Å; Q18-L20 VanDerWaalsContact C-N 3.33Å; Q18-L20 PolarHBondContact O-N 3.18Å; L20-K23 PolarHBondContact O-N 2.94Å; L20-L24 HydrophobicContact CD1-CD1 4.39Å; L20-L24 HydrophobicContact CD1-CG 4.45Å; L20-L24 HydrophobicContact CG-CD1 4.17Å; L20-L24 WeakPolarHBondContact O-CG 3.47Å; L20-L24 PolarHBondContact O-N 3.49Å |
| 21 | V | 96.7 | Very high | 93.7 | Very high | 79 Ų | 79 | 103.7 Ų | 103.7 | 48% | 0.479 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.2 | -49.7 | 175.3 | 168.2 | 0 | 0 | 0 | 0 | 110.1 | L17 Q18 K23 L24 E25 | L17-V21 WeakPolarHBondContact O-CG2 3.29Å; L17-V21 PolarHBondContact O-N 3.33Å; Q18-V21 PolarHBondContact O-N 2.88Å; V21-K23 VanDerWaalsContact C-N 3.28Å; V21-K23 PolarHBondContact O-N 3.49Å; V21-L24 PolarHBondContact O-N 2.87Å; V21-L24 VanDerWaalsContact O-N 3.1Å; V21-E25 HydrophobicContact CG1-CG 4.33Å; V21-E25 WeakPolarHBondContact O-CG 3.48Å; V21-E25 PolarHBondContact O-N 3.48Å |
| 22 | K | 96.8 | Very high | 93.5 | Very high | 138 Ų | 138 | 105.9 Ų | 105.9 | 60% | 0.6 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -58.1 | -38.3 | 177.7 | -176.7 | 178.8 | 177.8 | -176.6 | 0 | 112.7 | Q18 Q26 | Q18-K22 VanDerWaalsContact O-CB 3.32Å; Q18-K22 WeakPolarHBondContact O-CB 3.25Å; Q18-K22 PolarHBondContact O-N 3.02Å; K22-Q26 WeakPolarHBondContact O-CB 3.37Å; K22-Q26 PolarHBondContact O-N 3.06Å |
| 23 | K | 96.3 | Very high | 93.1 | Very high | 129 Ų | 129 | 105.1 Ų | 105.1 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.3 | -41 | 175.4 | -170.3 | 174.8 | -178.8 | -179.6 | 0 | 112.1 | D19 L20 V21 Q26 Q27 | D19-K23 WeakPolarHBondContact O-CB 3.45Å; D19-K23 PolarHBondContact O-N 3.37Å; L20-K23 PolarHBondContact O-N 2.94Å; V21-K23 VanDerWaalsContact C-N 3.28Å; V21-K23 PolarHBondContact O-N 3.49Å; K23-Q26 PolarHBondContact O-N 3.07Å; K23-Q27 WeakPolarHBondContact O-CG 3.43Å; K23-Q27 PolarHBondContact O-N 3.38Å |
| 24 | L | 96.5 | Very high | 92.4 | Very high | 97 Ų | 97 | 108.2 Ų | 108.2 | 51% | 0.508 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 175.2 | -72.6 | 169.6 | 0 | 0 | 0 | 112 | L20 V21 Q27 N28 | L20-L24 HydrophobicContact CD1-CD1 4.39Å; L20-L24 HydrophobicContact CD1-CG 4.45Å; L20-L24 HydrophobicContact CG-CD1 4.17Å; L20-L24 WeakPolarHBondContact O-CG 3.47Å; L20-L24 PolarHBondContact O-N 3.49Å; V21-L24 PolarHBondContact O-N 2.87Å; V21-L24 VanDerWaalsContact O-N 3.1Å; L24-Q27 PolarHBondContact O-N 2.96Å; L24-N28 VanDerWaalsContact O-CB 3.3Å; L24-N28 WeakPolarHBondContact O-CB 3.3Å; L24-N28 PolarHBondContact O-N 2.91Å |
| 25 | E | 95.6 | Very high | 91 | Very high | 121 Ų | 121 | 108 Ų | 108 | 57% | 0.565 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.7 | -46 | 172.3 | -72.4 | 176.1 | 150.9 | 0 | 0 | 111 | V21 Q27 N28 E29 | V21-E25 HydrophobicContact CG1-CG 4.33Å; V21-E25 WeakPolarHBondContact O-CG 3.48Å; V21-E25 PolarHBondContact O-N 3.48Å; E25-Q27 PolarHBondContact O-N 3.49Å; E25-N28 PolarHBondContact O-N 3.42Å; E25-E29 WeakPolarHBondContact O-CB 3.27Å; E25-E29 PolarHBondContact O-N 3.06Å |
| 26 | Q | 95.4 | Very high | 89.6 | Confident | 125 Ų | 125 | 106.6 Ų | 106.6 | 58% | 0.584 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.2 | -41 | 176.5 | -170.2 | 175.6 | 26.6 | 0 | 0 | 112.6 | K22 K23 E29 Q30 | K22-Q26 WeakPolarHBondContact O-CB 3.37Å; K22-Q26 PolarHBondContact O-N 3.06Å; K23-Q26 PolarHBondContact O-N 3.07Å; Q26-E29 PolarHBondContact O-N 2.99Å; Q26-Q30 WeakPolarHBondContact O-CG 3.37Å; Q26-Q30 PolarHBondContact O-N 3.15Å |
| 27 | Q | 95.3 | Very high | 87.7 | Confident | 94 Ų | 94 | 106.4 Ų | 106.4 | 44% | 0.439 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.3 | -40 | 174.4 | -72.6 | -177.6 | -82.1 | 0 | 0 | 112 | K23 L24 E25 E29 Q30 L31 | K23-Q27 WeakPolarHBondContact O-CG 3.43Å; K23-Q27 PolarHBondContact O-N 3.38Å; L24-Q27 PolarHBondContact O-N 2.96Å; E25-Q27 PolarHBondContact O-N 3.49Å; Q27-E29 VanDerWaalsContact C-N 3.34Å; Q27-Q30 PolarHBondContact O-N 2.81Å; Q27-L31 WeakPolarHBondContact O-CG 3.4Å; Q27-L31 PolarHBondContact O-N 2.67Å |
| 28 | N | 93.6 | Very high | 85.8 | Confident | 76 Ų | 76 | 108.5 Ų | 108.5 | 41% | 0.406 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.8 | -39.3 | 176.8 | -160.1 | -18.6 | 0 | 0 | 0 | 111.1 | L24 E25 L31 R32 | L24-N28 VanDerWaalsContact O-CB 3.3Å; L24-N28 WeakPolarHBondContact O-CB 3.3Å; L24-N28 PolarHBondContact O-N 2.91Å; E25-N28 PolarHBondContact O-N 3.42Å; N28-L31 WeakPolarHBondContact O-CB 3.13Å; N28-L31 PolarHBondContact O-N 2.81Å; N28-R32 WeakPolarHBondContact O-CG 3.28Å; N28-R32 PolarHBondContact O-N 2.84Å; N28-R32 PolarHBondContact OD1-NH2 2.93Å |
| 29 | E | 93 | Very high | 83.6 | Confident | 96 Ų | 96 | 107.5 Ų | 107.5 | 45% | 0.449 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -72.3 | -32 | 176.7 | -155 | 53.7 | -135.4 | 0 | 0 | 113.1 | E25 Q26 Q27 R32 S33 | E25-E29 WeakPolarHBondContact O-CB 3.27Å; E25-E29 PolarHBondContact O-N 3.06Å; Q26-E29 PolarHBondContact O-N 2.99Å; Q27-E29 VanDerWaalsContact C-N 3.34Å; E29-R32 PolarHBondContact O-N 2.98Å; E29-R32 WeakPolarHBondContact OE2-CD 3.39Å; E29-R32 IonicContact OE2-CZ 3.75Å; E29-R32 IonicContact OE2-NE 4Å; E29-R32 IonicContact OE2-NH1 2.75Å; E29-R32 PolarHBondContact OE2-NH1 3.27Å; E29-S33 VanDerWaalsContact O-CB 3.32Å; E29-S33 WeakPolarHBondContact O-CB 3.41Å; E29-S33 PolarHBondContact O-N 3.49Å; E29-S33 PolarHBondContact O-OG 2.99Å |
| 30 | Q | 91.3 | Very high | 81.5 | Confident | 111 Ų | 111 | 107 Ų | 107 | 52% | 0.519 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 166.5 | -75.7 | 176.4 | -8 | 0 | 0 | 111.8 | Q26 Q27 S33 R34 | Q26-Q30 WeakPolarHBondContact O-CG 3.37Å; Q26-Q30 PolarHBondContact O-N 3.15Å; Q27-Q30 PolarHBondContact O-N 2.81Å; Q30-S33 PolarHBondContact O-N 3.44Å; Q30-R34 WeakPolarHBondContact O-CG 3.45Å; Q30-R34 PolarHBondContact O-N 2.93Å |
| 31 | L | 87.8 | Confident | 79.2 | Confident | 104 Ų | 104 | 107.4 Ų | 107.4 | 55% | 0.545 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.5 | -40.7 | 175.7 | -71.9 | 170 | 0 | 0 | 0 | 111.6 | Q27 N28 R34 S35 | Q27-L31 WeakPolarHBondContact O-CG 3.4Å; Q27-L31 PolarHBondContact O-N 2.67Å; N28-L31 WeakPolarHBondContact O-CB 3.13Å; N28-L31 PolarHBondContact O-N 2.81Å; L31-R34 PolarHBondContact O-N 3.04Å; L31-S35 WeakPolarHBondContact O-CB 3.33Å; L31-S35 PolarHBondContact O-N 2.71Å; L31-S35 PolarHBondContact O-OG 2.76Å |
| 32 | R | 80.8 | Confident | 76.6 | Confident | 124 Ų | 124 | 107.2 Ų | 107.2 | 47% | 0.468 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.8 | -47.2 | 171.6 | -69.7 | -176.9 | -171.5 | 108.5 | 10 | 111.6 | N28 E29 R34 S35 T36 | N28-R32 WeakPolarHBondContact O-CG 3.28Å; N28-R32 PolarHBondContact O-N 2.84Å; N28-R32 PolarHBondContact OD1-NH2 2.93Å; E29-R32 PolarHBondContact O-N 2.98Å; E29-R32 WeakPolarHBondContact OE2-CD 3.39Å; E29-R32 IonicContact OE2-CZ 3.75Å; E29-R32 IonicContact OE2-NE 4Å; E29-R32 IonicContact OE2-NH1 2.75Å; E29-R32 PolarHBondContact OE2-NH1 3.27Å; R32-R34 VanDerWaalsContact C-N 3.31Å; R32-R34 PolarHBondContact O-N 3.34Å; R32-S35 WeakPolarHBondContact O-CB 3.47Å; R32-S35 PolarHBondContact O-N 2.85Å; R32-T36 PolarHBondContact O-N 3.38Å; R32-T36 PolarHBondContact O-OG1 3.35Å |
| 33 | S | 81.8 | Confident | 74.1 | Confident | 63 Ų | 63 | 104.5 Ų | 104.5 | 44% | 0.441 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.9 | -30.5 | 178.9 | -58.6 | 0 | 0 | 0 | 0 | 113.6 | E29 Q30 T36 M37 | E29-S33 VanDerWaalsContact O-CB 3.32Å; E29-S33 WeakPolarHBondContact O-CB 3.41Å; E29-S33 PolarHBondContact O-N 3.49Å; E29-S33 PolarHBondContact O-OG 2.99Å; Q30-S33 PolarHBondContact O-N 3.44Å; S33-T36 PolarHBondContact O-OG1 3.07Å; S33-M37 WeakPolarHBondContact O-CG 3.48Å |
| 34 | R | 74.8 | Confident | 71.5 | Confident | 179 Ų | 179 | 106.9 Ų | 106.9 | 68% | 0.675 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -76.3 | -35.6 | 170.4 | -70.5 | 177.8 | 73.9 | 179.9 | 2.3 | 112 | Q30 L31 R32 M37 L38 | Q30-R34 WeakPolarHBondContact O-CG 3.45Å; Q30-R34 PolarHBondContact O-N 2.93Å; L31-R34 PolarHBondContact O-N 3.04Å; R32-R34 VanDerWaalsContact C-N 3.31Å; R32-R34 PolarHBondContact O-N 3.34Å; R34-M37 PolarHBondContact O-N 3.4Å; R34-L38 WeakPolarHBondContact O-CG 3.29Å; R34-L38 PolarHBondContact O-N 3.06Å; R34-L38 VanDerWaalsContact O-N 3.09Å |
| 35 | S | 65.1 | Low | 68.9 | Low | 68 Ų | 68 | 107.6 Ų | 107.6 | 48% | 0.476 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67.5 | -35 | 179.3 | -58.2 | 0 | 0 | 0 | 0 | 112.8 | L31 R32 S39 | L31-S35 WeakPolarHBondContact O-CB 3.33Å; L31-S35 PolarHBondContact O-N 2.71Å; L31-S35 PolarHBondContact O-OG 2.76Å; R32-S35 WeakPolarHBondContact O-CB 3.47Å; R32-S35 PolarHBondContact O-N 2.85Å; S35-S39 PolarHBondContact O-N 3.19Å; S35-S39 PolarHBondContact O-OG 3.4Å |
| 36 | T | 62.6 | Low | 65.9 | Low | 92 Ų | 92 | 106.6 Ų | 106.6 | 56% | 0.564 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.1 | -41.8 | 173.8 | 51.6 | 0 | 0 | 0 | 0 | 112 | R32 S33 L38 S39 S40 | R32-T36 PolarHBondContact O-N 3.38Å; R32-T36 PolarHBondContact O-OG1 3.35Å; S33-T36 PolarHBondContact O-OG1 3.07Å; T36-L38 PolarHBondContact O-N 3.25Å; T36-S39 WeakPolarHBondContact O-CB 3.46Å; T36-S39 PolarHBondContact O-N 3.16Å; T36-S39 VanDerWaalsContact O-N 3.15Å; T36-S40 PolarHBondContact O-N 2.89Å |
| 37 | M | 55 | Low | 63.4 | Low | 136 Ų | 136 | 107.7 Ų | 107.7 | 67% | 0.67 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.4 | -37.7 | 175.9 | -69.5 | -70.6 | 177.8 | 0 | 0 | 113.2 | S33 R34 S39 S40 | S33-M37 WeakPolarHBondContact O-CG 3.48Å; R34-M37 PolarHBondContact O-N 3.4Å; M37-S39 VanDerWaalsContact C-N 3.29Å; M37-S39 PolarHBondContact O-N 2.91Å; M37-S40 PolarHBondContact O-OG 3.43Å |
| 38 | L | 55.5 | Low | 60.4 | Low | 137 Ų | 137 | 112.5 Ų | 112.5 | 72% | 0.717 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -71 | -26.2 | 175.3 | -69.9 | 171.7 | 0 | 0 | 0 | 112.5 | R34 T36 | R34-L38 WeakPolarHBondContact O-CG 3.29Å; R34-L38 PolarHBondContact O-N 3.06Å; R34-L38 VanDerWaalsContact O-N 3.09Å; T36-L38 PolarHBondContact O-N 3.25Å |
| 39 | S | 50.7 | Low | 57.5 | Low | 97 Ų | 97 | 118.5 Ų | 118.5 | 68% | 0.678 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -75.3 | -22.4 | 179.2 | -58.9 | 0 | 0 | 0 | 0 | 113.4 | S35 T36 M37 | S35-S39 PolarHBondContact O-N 3.19Å; S35-S39 PolarHBondContact O-OG 3.4Å; T36-S39 WeakPolarHBondContact O-CB 3.46Å; T36-S39 PolarHBondContact O-N 3.16Å; T36-S39 VanDerWaalsContact O-N 3.15Å; M37-S39 VanDerWaalsContact C-N 3.29Å; M37-S39 PolarHBondContact O-N 2.91Å |
| 40 | S | 49.3 | Very low | 54.9 | Low | 88 Ų | 88 | 119.8 Ų | 119.8 | 62% | 0.615 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -16.2 | -179.4 | 38.9 | 0 | 0 | 0 | 0 | 115.6 | T36 M37 | T36-S40 PolarHBondContact O-N 2.89Å; M37-S40 PolarHBondContact O-OG 3.43Å |
| 41 | S | 48.8 | Very low | 52 | Low | 102 Ų | 102 | 120.8 Ų | 120.8 | 71% | 0.713 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -101.7 | -6.7 | -174.5 | -58.2 | 0 | 0 | 0 | 0 | 114.6 | A43 | S41-A43 VanDerWaalsContact C-N 3.29Å; S41-A43 PolarHBondContact O-N 2.87Å; S41-A43 VanDerWaalsContact O-N 3.16Å |
| 42 | G | 43.2 | Very low | 49.3 | Very low | 75 Ų | 75 | 121.6 Ų | 121.6 | 77% | 0.773 | 70% | 0.702 | S | S | * | * | | | trans | -83.1 | 25.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 43 | A | 43 | Very low | 46.9 | Very low | 80 Ų | 80 | 120.4 Ų | 120.4 | 66% | 0.661 | 72% | 0.719 | S | S | * | * | | | trans | -124.4 | 29.3 | -162.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | S41 | S41-A43 VanDerWaalsContact C-N 3.29Å; S41-A43 PolarHBondContact O-N 2.87Å; S41-A43 VanDerWaalsContact O-N 3.16Å |
| 44 | M | 42.8 | Very low | 44.2 | Very low | 179 Ų | 179 | 121.1 Ų | 121.1 | 88% | 0.882 | 74% | 0.736 | S | S | * | * | | | trans | -120.1 | 130.7 | 179.2 | -63 | -61.8 | 152.1 | 0 | 0 | 112.8 | | |
| 45 | S | 41.7 | Very low | 42.1 | Very low | 112 Ų | 112 | 123.6 Ų | 123.6 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | | | trans | -66.6 | 141.1 | -169.2 | 178.8 | 0 | 0 | 0 | 0 | 115.5 | | |
| 46 | A | 32.9 | Very low | 40.3 | Very low | 101 Ų | 101 | 128.8 Ų | 128.8 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | | | trans | -155.9 | 104 | 144.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 47 | N | 42.5 | Very low | 38.5 | Very low | 148 Ų | 148 | 130.2 Ų | 130.2 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | -80.7 | 119.8 | 159.7 | -76.9 | -76.1 | 0 | 0 | 0 | 108.7 | | |
| 48 | H | 31.2 | Very low | 37.3 | Very low | 195 Ų | 195 | 129.6 Ų | 129.6 | 90% | 0.903 | 79% | 0.787 | S | S | * | * | | | trans | -158.9 | 128.6 | 150 | -109.1 | -72.9 | 0 | 0 | 0 | 112.1 | | |
| 49 | R | 34.4 | Very low | 36.1 | Very low | 201 Ų | 201 | 128.3 Ų | 128.3 | 76% | 0.758 | 79% | 0.789 | S | S | * | * | | | trans | -122.5 | 112.6 | 174.5 | -177.8 | -172 | -169.7 | -141 | 3.9 | 108.8 | | |
| 50 | P | 37.4 | Very low | 35.1 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | | | trans | -73.1 | 149.8 | 170.1 | 30.6 | -32.9 | 0 | 0 | 0 | 110.5 | | |
| 51 | L | 31 | Very low | 34.1 | Very low | 132 Ų | 132 | 133.6 Ų | 133.6 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | | | trans | -128.6 | 122 | 178.4 | -89.2 | 174.5 | 0 | 0 | 0 | 111.8 | | |
| 52 | S | 31.1 | Very low | 33.2 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | | | trans | 71.9 | 171.5 | 143.8 | -148.2 | 0 | 0 | 0 | 0 | 119.6 | | |
| 53 | A | 29.1 | Very low | 32.5 | Very low | 100 Ų | 100 | 135.7 Ų | 135.7 | 83% | 0.826 | 82% | 0.818 | S | S | * | * | | | trans | 65.1 | 128 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 54 | G | 26 | Very low | 31.8 | Very low | 78 Ų | 78 | 140.6 Ų | 140.6 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | | | cis | 155.8 | 130 | -12.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 55 | Y | 30.4 | Very low | 31.1 | Very low | 231 Ų | 231 | 136.6 Ų | 136.6 | 91% | 0.906 | 83% | 0.825 | S | S | * | * | | | trans | -145.3 | 162.7 | 155.5 | 74.8 | -97 | 0 | 0 | 0 | 110 | | |
| 56 | E | 26.6 | Very low | 30.5 | Very low | 177 Ų | 177 | 136.4 Ų | 136.4 | 83% | 0.827 | 83% | 0.83 | S | S | * | * | | | trans | -84.6 | 154.3 | -152.7 | -58.4 | -169.7 | 125.4 | 0 | 0 | 115.9 | | |
| 57 | S | 26.3 | Very low | 30.2 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | | | trans | -90.2 | 102.5 | 164.9 | -63.5 | 0 | 0 | 0 | 0 | 109.9 | S59 | S57-S59 PolarHBondContact O-N 2.8Š|
| 58 | S | 28.3 | Very low | 29.5 | Very low | 123 Ų | 123 | 136.4 Ų | 136.4 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | | | trans | -67.6 | 111.5 | 165.4 | -71.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 59 | S | 30.3 | Very low | 29.4 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 77% | 0.769 | 83% | 0.831 | S | S | * | * | | | trans | -78 | 131.2 | 176.1 | 49.3 | 0 | 0 | 0 | 0 | 111.3 | S57 | S57-S59 PolarHBondContact O-N 2.8Š|
| 60 | L | 30.8 | Very low | 29.1 | Very low | 181 Ų | 181 | 126.4 Ų | 126.4 | 95% | 0.948 | 83% | 0.834 | S | S | * | * | | | trans | -133.5 | 134.8 | 156.9 | -84 | 178 | 0 | 0 | 0 | 110 | | |
| 61 | S | 29.2 | Very low | 28.8 | Very low | 116 Ų | 116 | 130.4 Ų | 130.4 | 81% | 0.811 | 84% | 0.839 | S | S | * | * | | | trans | -100.5 | 168.5 | -171.6 | 48.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 62 | V | 28.1 | Very low | 29.4 | Very low | 149 Ų | 149 | 130.2 Ų | 130.2 | 90% | 0.903 | 85% | 0.846 | S | S | * | * | | | trans | -72.5 | 133.6 | 173.2 | 174.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 63 | G | 29 | Very low | 29.3 | Very low | 71 Ų | 71 | 127.1 Ų | 127.1 | 73% | 0.732 | 83% | 0.832 | S | S | * | * | | | trans | -152.4 | 143.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 64 | M | 28.3 | Very low | 29.6 | Very low | 184 Ų | 184 | 130 Ų | 130 | 91% | 0.906 | 84% | 0.839 | S | S | * | * | | | trans | -123.4 | 136 | -176.7 | -95.7 | -149.2 | 179.2 | 0 | 0 | 113.4 | | |
| 65 | A | 28 | Very low | 29.7 | Very low | 95 Ų | 95 | 129.3 Ų | 129.3 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | | | trans | 69 | 156.8 | 143.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 66 | A | 29.1 | Very low | 29.7 | Very low | 108 Ų | 108 | 129 Ų | 129 | 89% | 0.893 | 84% | 0.836 | S | S | * | * | | | trans | 66.2 | 132.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 67 | G | 27.8 | Very low | 29.7 | Very low | 69 Ų | 69 | 123.8 Ų | 123.8 | 71% | 0.711 | 83% | 0.83 | S | S | * | * | | | cis | 173 | 171.5 | -10.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 68 | L | 27.7 | Very low | 29.9 | Very low | 179 Ų | 179 | 121.9 Ų | 121.9 | 94% | 0.937 | 83% | 0.83 | S | S | * | * | | | trans | 72.2 | 134.6 | 165.1 | -58.1 | 173 | 0 | 0 | 0 | 120.4 | | |
| 69 | A | 29.1 | Very low | 30.1 | Very low | 109 Ų | 109 | 122.1 Ų | 122.1 | 90% | 0.901 | 83% | 0.831 | S | S | * | * | | | trans | 64.5 | 142.5 | 151 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 70 | G | 28.3 | Very low | 30.1 | Very low | 78 Ų | 78 | 120.6 Ų | 120.6 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | | | trans | 121.6 | 79.7 | 157.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 71 | F | 30.5 | Very low | 30.1 | Very low | 207 Ų | 207 | 114.7 Ų | 114.7 | 91% | 0.908 | 82% | 0.816 | S | S | * | * | | | trans | -91 | 161.9 | 138.9 | -86.2 | -84.8 | 0 | 0 | 0 | 107.3 | | |
| 72 | P | 43.3 | Very low | 30.2 | Very low | 128 Ų | 128 | 120.5 Ų | 120.5 | 83% | 0.831 | 82% | 0.822 | S | S | * | * | | | cis | -120.3 | -168.8 | 17.9 | 43.3 | -29.1 | 0 | 0 | 0 | 112.4 | | |
| 73 | G | 29.5 | Very low | 30.3 | Very low | 55 Ų | 55 | 117.5 Ų | 117.5 | 57% | 0.567 | 82% | 0.82 | S | S | * | * | | | cis | 162.8 | -174.5 | -3.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 74 | V | 35.2 | Very low | 30.2 | Very low | 161 Ų | 161 | 118 Ų | 118 | 98% | 0.976 | 83% | 0.826 | S | S | * | * | | | trans | 57.7 | 158.5 | 179.1 | -54.9 | 0 | 0 | 0 | 0 | 116.5 | | |
| 75 | G | 27.9 | Very low | 30.2 | Very low | 63 Ų | 63 | 114.5 Ų | 114.5 | 65% | 0.649 | 82% | 0.82 | S | S | * | * | | | cis | 149.7 | 151.1 | -8.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 76 | F | 29.5 | Very low | 30.3 | Very low | 224 Ų | 224 | 115.6 Ų | 115.6 | 98% | 0.982 | 82% | 0.816 | S | S | * | * | | | trans | 66.4 | 153.9 | -177 | -84 | -107.6 | 0 | 0 | 0 | 117.4 | | |
| 77 | G | 28.4 | Very low | 30.2 | Very low | 68 Ų | 68 | 118.3 Ų | 118.3 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | | | cis | 152.4 | 110.3 | -16.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 78 | G | 29 | Very low | 30.2 | Very low | 82 Ų | 82 | 122.1 Ų | 122.1 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | | | trans | 83.6 | 174.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 79 | S | 33.9 | Very low | 30.2 | Very low | 128 Ų | 128 | 120.3 Ų | 120.3 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | | | cis | -169.6 | 129.7 | -21.3 | -172 | 0 | 0 | 0 | 0 | 111.4 | | |
| 80 | G | 29.3 | Very low | 30.3 | Very low | 77 Ų | 77 | 125.7 Ų | 125.7 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | | | trans | 70.5 | 161.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 81 | G | 30.2 | Very low | 30.2 | Very low | 58 Ų | 58 | 127.6 Ų | 127.6 | 60% | 0.598 | 80% | 0.802 | S | S | * | * | | | cis | 168.3 | 168.3 | -9.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 82 | Y | 32.1 | Very low | 30.1 | Very low | 238 Ų | 238 | 123.9 Ų | 123.9 | 93% | 0.933 | 80% | 0.802 | S | S | * | * | | | trans | 71.2 | 148.1 | 162.6 | -37.1 | -74.6 | 0 | 0 | 0 | 119.1 | | |
| 83 | G | 30.3 | Very low | 29.5 | Very low | 85 Ų | 85 | 128.7 Ų | 128.7 | 88% | 0.876 | 80% | 0.804 | S | S | * | * | | | trans | 120 | 102 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 84 | G | 27.3 | Very low | 29.7 | Very low | 83 Ų | 83 | 132.3 Ų | 132.3 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | | | trans | -147.8 | 135.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 85 | S | 27.6 | Very low | 29.5 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | | | trans | -165.6 | 112 | 168 | -171.8 | 0 | 0 | 0 | 0 | 105.8 | | |
| 86 | V | 30.3 | Very low | 29.5 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 71% | 0.709 | 82% | 0.824 | S | S | * | * | | | | 70.5 | 105.3 | 74.5 | 176.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 87 | E | 27.8 | Very low | 29.5 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | | | trans | 46.2 | 123.7 | 143.8 | -57.6 | 174 | 156 | 0 | 0 | 121.1 | | |
| 88 | N | 26.1 | Very low | 29.3 | Very low | 148 Ų | 148 | 140.8 Ų | 140.8 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | | | | -164.6 | 155.6 | 106.7 | -114 | -80.7 | 0 | 0 | 0 | 114.8 | | |
| 89 | N | 28.6 | Very low | 29.3 | Very low | 141 Ų | 141 | 142.6 Ų | 142.6 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | | | trans | -116.7 | 127.5 | 171.9 | -92.3 | -51.8 | 0 | 0 | 0 | 110 | | |
| 90 | R | 30.7 | Very low | 29 | Very low | 222 Ų | 222 | 139.3 Ų | 139.3 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | | | trans | -174.8 | 119.8 | 134.5 | -109.6 | 160.8 | -89.1 | -134.7 | 1.9 | 115.3 | | |
| 91 | C | 26.6 | Very low | 29.1 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | | | trans | 39.4 | 124.9 | 135.2 | -53.6 | 0 | 0 | 0 | 0 | 122 | | |
| 92 | S | 28.3 | Very low | 29 | Very low | 129 Ų | 129 | 146.6 Ų | 146.6 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | | | | -156.6 | 125.9 | 127.9 | -80.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 93 | R | 30.3 | Very low | 28.8 | Very low | 230 Ų | 230 | 143.5 Ų | 143.5 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | | | trans | -103.7 | 160.1 | 159.5 | -89.9 | -177.4 | 168.9 | 174.6 | -2.3 | 107.8 | | |
| 94 | P | 33.8 | Very low | 28.8 | Very low | 131 Ų | 131 | 146 Ų | 146 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | | -139.3 | 169 | 109.2 | 32.7 | -18.1 | 0 | 0 | 0 | 114.3 | | |
| 95 | R | 32.7 | Very low | 28.9 | Very low | 232 Ų | 232 | 152.6 Ų | 152.6 | 88% | 0.875 | 78% | 0.78 | S | S | * | * | | | trans | -111.7 | 151.3 | 171.1 | -105.3 | -162.6 | -178.8 | -168.5 | 5.4 | 110 | | |
| 96 | L | 27.7 | Very low | 29 | Very low | 170 Ų | 170 | 150.5 Ų | 150.5 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | | | trans | -170.6 | 154.4 | 149.2 | -124.8 | 75.1 | 0 | 0 | 0 | 106 | | |
| 97 | S | 28.1 | Very low | 29.1 | Very low | 95 Ų | 95 | 155 Ų | 155 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | | | cis | -146.8 | -150.1 | -6.3 | -163.6 | 0 | 0 | 0 | 0 | 105.8 | | |
| 98 | Y | 23.9 | Very low | 29.1 | Very low | 197 Ų | 197 | 154.9 Ų | 154.9 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | | | cis | -168.7 | 149.7 | -3.3 | -159.3 | -142.8 | 0 | 0 | 0 | 105.7 | | |
| 99 | D | 29.6 | Very low | 29.3 | Very low | 120 Ų | 120 | 153 Ų | 153 | 64% | 0.642 | 77% | 0.772 | S | S | * | * | | | cis | -147.1 | 175.9 | -9.3 | -159.9 | 2.1 | 0 | 0 | 0 | 108.7 | | |
| 100 | G | 27.5 | Very low | 29.3 | Very low | 59 Ų | 59 | 155.6 Ų | 155.6 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | | | trans | -115.1 | 145.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 101 | I | 32.6 | Very low | 29.3 | Very low | 182 Ų | 182 | 148.6 Ų | 148.6 | 93% | 0.933 | 78% | 0.776 | S | S | * | * | | | trans | -86.4 | 135.7 | -175.3 | -56.5 | 174.7 | 0 | 0 | 0 | 111.9 | | |
| 102 | S | 28.2 | Very low | 29.5 | Very low | 105 Ų | 105 | 147.5 Ų | 147.5 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | trans | -76 | 146.1 | -167.1 | 178.8 | 0 | 0 | 0 | 0 | 116.6 | | |
| 103 | F | 27.7 | Very low | 29.6 | Very low | 174 Ų | 174 | 146.8 Ų | 146.8 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | | | trans | -147.3 | 107.8 | 145.1 | -147.1 | -110.1 | 0 | 0 | 0 | 114.9 | | |
| 104 | K | 29.8 | Very low | 29.5 | Very low | 138 Ų | 138 | 140.5 Ų | 140.5 | 60% | 0.6 | 77% | 0.768 | S | S | * | * | | | trans | 54.8 | 115.4 | 153 | -68.6 | -173.7 | -174.7 | 167.7 | 0 | 121.7 | | |
| 105 | R | 29.7 | Very low | 29.2 | Very low | 221 Ų | 221 | 138.2 Ų | 138.2 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | | | | 68.8 | 139.8 | 116.9 | -175.5 | -161.1 | -72.8 | -175 | -6.7 | 119 | | |
| 106 | A | 28.7 | Very low | 29 | Very low | 66 Ų | 66 | 133.2 Ų | 133.2 | 55% | 0.545 | 76% | 0.755 | S | S | . | * | | | cis | -175.1 | 171.5 | -21.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 107 | Y | 31.9 | Very low | 28.9 | Very low | 211 Ų | 211 | 131.3 Ų | 131.3 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | | | trans | 72 | 153.5 | 176.8 | -53.2 | -79.1 | 0 | 0 | 0 | 116.1 | | |
| 108 | E | 28.8 | Very low | 28.9 | Very low | 163 Ų | 163 | 134.3 Ų | 134.3 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | | | cis | 174.5 | 163.2 | -43.2 | 173.7 | 160.3 | -135.4 | 0 | 0 | 107.3 | | |
| 109 | C | 29.3 | Very low | 29.2 | Very low | 110 Ų | 110 | 129.4 Ų | 129.4 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | | | trans | 67.7 | 128.2 | -170.1 | -62.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 110 | E | 29.1 | Very low | 29.1 | Very low | 194 Ų | 194 | 129.2 Ų | 129.2 | 91% | 0.907 | 77% | 0.767 | S | S | * | * | | | cis | 95.1 | 137 | 36.7 | -174.6 | 176.1 | -143.8 | 0 | 0 | 112.9 | | |
| 111 | G | 30.3 | Very low | 29.3 | Very low | 76 Ų | 76 | 133.9 Ų | 133.9 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | | | trans | 131.3 | 120.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 112 | A | 31.3 | Very low | 29.1 | Very low | 95 Ų | 95 | 131.9 Ų | 131.9 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | | | trans | -125.9 | 154.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 113 | S | 31.1 | Very low | 28.9 | Very low | 114 Ų | 114 | 132 Ų | 132 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | | | trans | 61.1 | 101.1 | 148.8 | -61.1 | 0 | 0 | 0 | 0 | 121 | | |
| 114 | A | 27.3 | Very low | 29.1 | Very low | 98 Ų | 98 | 131 Ų | 131 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | | | | 81.6 | 143.6 | 111.7 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 115 | A | 28.3 | Very low | 29.3 | Very low | 82 Ų | 82 | 135 Ų | 135 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | | | trans | 85.3 | 98.9 | 142.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 116 | T | 28 | Very low | 30.2 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | | | | 60 | 129.8 | 128.5 | 60.1 | 0 | 0 | 0 | 0 | 122.1 | | |
| 117 | S | 25.8 | Very low | 30.2 | Very low | 130 Ų | 130 | 133.8 Ų | 133.8 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | | | | -167.7 | 162.5 | 121.9 | -88.6 | 0 | 0 | 0 | 0 | 115.6 | | |
| 118 | L | 28.4 | Very low | 30.3 | Very low | 159 Ų | 159 | 130.5 Ų | 130.5 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | | | trans | -79.1 | 144.9 | -156.5 | -145.9 | 72.2 | 0 | 0 | 0 | 117.8 | | |
| 119 | S | 28.8 | Very low | 30.4 | Very low | 93 Ų | 93 | 127.3 Ų | 127.3 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | | | trans | 45.6 | 126.5 | 139.9 | 64.8 | 0 | 0 | 0 | 0 | 124.2 | | |
| 120 | S | 27.6 | Very low | 30.5 | Very low | 117 Ų | 117 | 126 Ų | 126 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | 168.6 | 150.3 | 131.2 | -80.5 | 0 | 0 | 0 | 0 | 109.8 | | |
| 121 | M | 32.6 | Very low | 30.5 | Very low | 156 Ų | 156 | 120.5 Ų | 120.5 | 77% | 0.768 | 79% | 0.787 | S | S | * | * | | | cis | 172.9 | 122.7 | -21.4 | -113.4 | -89.6 | 179.9 | 0 | 0 | 106.4 | | |
| 122 | N | 28.8 | Very low | 31 | Very low | 140 Ų | 140 | 124.7 Ų | 124.7 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | | | trans | 71.8 | 154.7 | 154.7 | -65.8 | -15 | 0 | 0 | 0 | 124.6 | | |
| 123 | S | 24.3 | Very low | 31.2 | Very low | 108 Ų | 108 | 126.9 Ų | 126.9 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | 78.7 | 137.6 | 158.1 | -62.2 | 0 | 0 | 0 | 0 | 118.2 | | |
| 124 | L | 31 | Very low | 31.5 | Very low | 152 Ų | 152 | 125.3 Ų | 125.3 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | | | cis | -157.1 | 154.9 | -5.2 | -150.4 | 73.2 | 0 | 0 | 0 | 111.2 | | |
| 125 | Y | 34.5 | Very low | 31.8 | Very low | 222 Ų | 222 | 128.9 Ų | 128.9 | 87% | 0.871 | 79% | 0.794 | S | S | * | * | | | trans | -123.2 | 153.4 | 159.1 | -89.7 | -72 | 0 | 0 | 0 | 107.1 | | |
| 126 | P | 47.7 | Very low | 32.6 | Very low | 109 Ų | 109 | 128 Ų | 128 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | | | cis | -130.3 | -158.3 | 43.4 | 36.7 | -13.8 | 0 | 0 | 0 | 111.8 | | |
| 127 | D | 29.4 | Very low | 33.1 | Very low | 153 Ų | 153 | 130 Ų | 130 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | cis | -155.7 | 173.3 | 18.1 | -155.6 | 5.7 | 0 | 0 | 0 | 115.2 | | |
| 128 | N | 34.5 | Very low | 33.6 | Very low | 142 Ų | 142 | 129.8 Ų | 129.8 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | | | trans | -65.8 | 129.5 | -171.8 | 161.9 | 50.1 | 0 | 0 | 0 | 117.3 | | |
| 129 | A | 30.6 | Very low | 34.7 | Very low | 96 Ų | 96 | 127.9 Ų | 127.9 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | | | trans | -159.2 | 141.3 | 142 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 130 | G | 31.6 | Very low | 35.6 | Very low | 83 Ų | 83 | 129.5 Ų | 129.5 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | | | trans | -82.2 | 156.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 131 | G | 29.5 | Very low | 36.5 | Very low | 79 Ų | 79 | 131.5 Ų | 131.5 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | | | trans | -162.2 | 157.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 132 | L | 40.1 | Very low | 37.4 | Very low | 163 Ų | 163 | 131.5 Ų | 131.5 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | | | trans | -106.7 | 167.1 | 178.1 | -75 | 166 | 0 | 0 | 0 | 110.9 | | |
| 133 | T | 35.1 | Very low | 38.3 | Very low | 142 Ų | 142 | 132.8 Ų | 132.8 | 87% | 0.871 | 79% | 0.792 | S | S | * | * | | | trans | 72.2 | 151.9 | 178.4 | 75.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 134 | A | 37.3 | Very low | 39.7 | Very low | 80 Ų | 80 | 133.3 Ų | 133.3 | 66% | 0.661 | 79% | 0.79 | S | S | * | * | | | cis | -167.4 | 163.4 | -26.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 135 | D | 34.9 | Very low | 40.4 | Very low | 173 Ų | 173 | 133.2 Ų | 133.2 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | | | trans | 59.3 | 171.8 | 175.5 | -56.2 | -32.6 | 0 | 0 | 0 | 115.3 | | |
| 136 | G | 43.2 | Very low | 41.4 | Very low | 63 Ų | 63 | 130.2 Ų | 130.2 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | | | trans | 149 | -133.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 137 | E | 39.4 | Very low | 41.4 | Very low | 171 Ų | 171 | 132.2 Ų | 132.2 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | | | trans | -135.5 | 133.6 | -161.1 | 37.7 | -99.8 | 92.8 | 0 | 0 | 116.1 | | |
| 138 | T | 35.3 | Very low | 42.2 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | | | trans | 175.7 | 89.1 | 139.9 | 36.1 | 0 | 0 | 0 | 0 | 104.7 | I140 | T138-I140 VanDerWaalsContact C-N 3.29Š|
| 139 | S | 52.8 | Low | 43.3 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | | 48.1 | 48.8 | 54.4 | -158.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 140 | I | 48.2 | Very low | 44.3 | Very low | 127 Ų | 127 | 133.8 Ų | 133.8 | 65% | 0.651 | 78% | 0.781 | S | S | * | * | | | trans | -116.2 | 38.7 | 173.7 | -162.4 | 167.5 | 0 | 0 | 0 | 110.7 | T138 | T138-I140 VanDerWaalsContact C-N 3.29Š|
| 141 | L | 44.7 | Very low | 45.2 | Very low | 159 Ų | 159 | 136.6 Ų | 136.6 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | trans | -115.5 | 31.2 | 176 | -63.6 | 178.5 | 0 | 0 | 0 | 111.3 | | |
| 142 | D | 51.7 | Low | 46.2 | Very low | 157 Ų | 157 | 137.5 Ų | 137.5 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -125.1 | 16.9 | 173.3 | -155.5 | 36.5 | 0 | 0 | 0 | 111.3 | | |
| 143 | E | 49.4 | Very low | 46.5 | Very low | 167 Ų | 167 | 135.4 Ų | 135.4 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | | | trans | -115.7 | 61.5 | 164.2 | -73.4 | -172.2 | 164.3 | 0 | 0 | 108.6 | | |
| 144 | V | 52 | Low | 46.9 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 72% | 0.715 | 74% | 0.744 | S | S | * | * | | | trans | -101.4 | 77.5 | 163.9 | -173.4 | 0 | 0 | 0 | 0 | 107.3 | I146 | V144-I146 PolarHBondContact O-N 3.33Š|
| 145 | D | 47.2 | Very low | 47.2 | Very low | 150 Ų | 150 | 135.9 Ų | 135.9 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | | | trans | -54.2 | 125.1 | 164.1 | -90.7 | -33.5 | 0 | 0 | 0 | 108.2 | L147 | D145-L147 PolarHBondContact O-N 3.22Š|
| 146 | I | 54 | Low | 47.8 | Very low | 160 Ų | 160 | 132.8 Ų | 132.8 | 82% | 0.821 | 73% | 0.726 | S | S | * | * | | | trans | -70.7 | 98.5 | 176.2 | -59.3 | 174 | 0 | 0 | 0 | 106.3 | V144 D148 | V144-I146 PolarHBondContact O-N 3.33Å; I146-D148 PolarHBondContact O-N 3.48Å |
| 147 | L | 48.9 | Very low | 47.9 | Very low | 151 Ų | 151 | 138 Ų | 138 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | | | trans | -55.9 | 112.2 | 174.1 | -75.3 | 170.1 | 0 | 0 | 0 | 108.8 | D145 L149 | D145-L147 PolarHBondContact O-N 3.22Å; L147-L149 PolarHBondContact O-N 3.49Å; L147-L149 VanDerWaalsContact O-N 3.08Å |
| 148 | D | 46.4 | Very low | 48.3 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 64% | 0.642 | 72% | 0.724 | S | S | * | * | | | trans | -71.2 | 105.7 | -175 | -149.7 | -13.8 | 0 | 0 | 0 | 109 | I146 E150 D151 | I146-D148 PolarHBondContact O-N 3.48Å; D148-E150 PolarHBondContact O-N 3.11Å; D148-D151 PolarHBondContact O-N 3.24Å |
| 149 | L | 56.2 | Low | 48.8 | Very low | 137 Ų | 137 | 136 Ų | 136 | 72% | 0.717 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -70.1 | -18.4 | -168 | -76 | 166.8 | 0 | 0 | 0 | 112.8 | L147 D151 M152 | L147-L149 PolarHBondContact O-N 3.49Å; L147-L149 VanDerWaalsContact O-N 3.08Å; L149-D151 VanDerWaalsContact C-N 3.29Å; L149-D151 PolarHBondContact O-N 2.87Å; L149-M152 PolarHBondContact O-N 3.01Å |
| 150 | E | 51.8 | Low | 48.3 | Very low | 167 Ų | 167 | 138.2 Ų | 138.2 | 78% | 0.78 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -71.1 | -19.4 | -178.9 | -60.3 | -167.8 | 167.6 | 0 | 0 | 113.2 | D148 | D148-E150 PolarHBondContact O-N 3.11Š|
| 151 | D | 52.3 | Low | 48.3 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 75% | 0.754 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -87.7 | -10.9 | 176 | -94.1 | -10.4 | 0 | 0 | 0 | 113.7 | D148 L149 | D148-D151 PolarHBondContact O-N 3.24Å; L149-D151 VanDerWaalsContact C-N 3.29Å; L149-D151 PolarHBondContact O-N 2.87Å |
| 152 | M | 50.2 | Low | 48.6 | Very low | 98 Ų | 98 | 137.1 Ų | 137.1 | 48% | 0.483 | 71% | 0.707 | S | S | . | * | S | Bend | trans | -95 | -4.7 | -177.6 | -98.6 | -60.4 | -56.5 | 0 | 0 | 115.3 | L149 C154 L155 | L149-M152 PolarHBondContact O-N 3.01Å; M152-C154 PolarHBondContact O-N 3.14Å; M152-L155 HydrophobicContact CE-CB 4.37Å; M152-L155 HydrophobicContact SD-CD1 4.15Å |
| 153 | D | 45.4 | Very low | 48.4 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 64% | 0.642 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -68.9 | -23.3 | 173.9 | -78.7 | -22.5 | 0 | 0 | 0 | 112.3 | L155 N156 | D153-L155 PolarHBondContact O-N 3.04Å; D153-L155 VanDerWaalsContact O-N 3.11Å; D153-N156 PolarHBondContact O-N 2.79Å |
| 154 | C | 43.2 | Very low | 48.3 | Very low | 110 Ų | 110 | 138 Ų | 138 | 74% | 0.743 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -73.1 | 2.9 | -178.8 | -69.4 | 0 | 0 | 0 | 0 | 115.5 | M152 | M152-C154 PolarHBondContact O-N 3.14Š|
| 155 | L | 44.2 | Very low | 47.7 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 63% | 0.634 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -125.5 | 6.3 | 179.3 | -68 | 177.7 | 0 | 0 | 0 | 114.2 | M152 D153 | M152-L155 HydrophobicContact CE-CB 4.37Å; M152-L155 HydrophobicContact SD-CD1 4.15Å; D153-L155 PolarHBondContact O-N 3.04Å; D153-L155 VanDerWaalsContact O-N 3.11Å |
| 156 | N | 46.7 | Very low | 47.7 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 58% | 0.583 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -106 | -2.5 | -177.7 | -88.1 | -67.1 | 0 | 0 | 0 | 115.4 | D153 | D153-N156 PolarHBondContact O-N 2.79Š|
| 157 | E | 45.9 | Very low | 47.2 | Very low | 173 Ų | 173 | 136.8 Ų | 136.8 | 81% | 0.808 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -82.1 | -13 | 177.1 | -60.5 | -161.2 | 136.4 | 0 | 0 | 113.8 | | |
| 158 | D | 48.7 | Very low | 47.1 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 59% | 0.594 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -85.4 | -23.2 | -172.2 | -82.8 | -45.7 | 0 | 0 | 0 | 115.1 | S161 W162 | D158-S161 PolarHBondContact O-N 3.34Å; D158-W162 PolarHBondContact O-NE1 3.47Å; D158-W162 VanDerWaalsContact O-NE1 3.15Å |
| 159 | E | 44.4 | Very low | 47 | Very low | 143 Ų | 143 | 135 Ų | 135 | 67% | 0.668 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -79.2 | -28.3 | -166.2 | -148.9 | 174 | 129.3 | 0 | 0 | 114 | S161 W162 | E159-S161 VanDerWaalsContact C-N 3.35Å; E159-W162 HydrophobicContact CG-CZ2 4.38Å |
| 160 | D | 43.7 | Very low | 46.3 | Very low | 164 Ų | 164 | 130.5 Ų | 130.5 | 88% | 0.877 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -77.9 | -17.6 | 172.9 | -94.9 | -31.9 | 0 | 0 | 0 | 113.1 | W162 | D160-W162 PolarHBondContact O-N 3.39Š|
| 161 | S | 46.8 | Very low | 45.9 | Very low | 55 Ų | 55 | 128.3 Ų | 128.3 | 39% | 0.385 | 66% | 0.658 | S | S | . | * | G | 310 helix | trans | -74.6 | -9.3 | -174.7 | -67.8 | 0 | 0 | 0 | 0 | 114.1 | D158 E159 L163 E165 | D158-S161 PolarHBondContact O-N 3.34Å; E159-S161 VanDerWaalsContact C-N 3.35Å; S161-L163 PolarHBondContact O-N 3.39Å; S161-L163 VanDerWaalsContact O-N 3.09Å; S161-E165 PolarHBondContact O-N 3.43Å |
| 162 | W | 52 | Low | 45.7 | Very low | 208 Ų | 208 | 128.1 Ų | 128.1 | 79% | 0.788 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -69.4 | -10.8 | -170.4 | -67 | 15.8 | 0 | 0 | 0 | 114.8 | D158 E159 D160 | D158-W162 PolarHBondContact O-NE1 3.47Å; D158-W162 VanDerWaalsContact O-NE1 3.15Å; E159-W162 HydrophobicContact CG-CZ2 4.38Å; D160-W162 PolarHBondContact O-N 3.39Å |
| 163 | L | 47.3 | Very low | 45.7 | Very low | 142 Ų | 142 | 127 Ų | 127 | 74% | 0.743 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -89.5 | -20.8 | -175.3 | -162.4 | 59.8 | 0 | 0 | 0 | 114.7 | S161 | S161-L163 PolarHBondContact O-N 3.39Å; S161-L163 VanDerWaalsContact O-N 3.09Å |
| 164 | Y | 47.2 | Very low | 46 | Very low | 200 Ų | 200 | 129.1 Ų | 129.1 | 78% | 0.784 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.2 | 1.8 | -177.9 | -81.3 | -73.3 | 0 | 0 | 0 | 116.9 | S166 | Y164-S166 VanDerWaalsContact C-N 3.3Å; Y164-S166 PolarHBondContact O-N 3.39Å |
| 165 | E | 38.9 | Very low | 46.5 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 59% | 0.589 | 65% | 0.653 | S | S | * | * | | | trans | -72.6 | 80.2 | 177.3 | -150.8 | 63.8 | -164.3 | 0 | 0 | 112.4 | S161 K167 | S161-E165 PolarHBondContact O-N 3.43Å; E165-K167 PolarHBondContact O-N 3Å; E165-K167 VanDerWaalsContact O-N 3.14Å |
| 166 | S | 46.8 | Very low | 47.1 | Very low | 83 Ų | 83 | 127.8 Ų | 127.8 | 58% | 0.58 | 64% | 0.643 | S | S | * | * | | | trans | -62.3 | 114.9 | 170.2 | 63.1 | 0 | 0 | 0 | 0 | 108.8 | Y164 L168 | Y164-S166 VanDerWaalsContact C-N 3.3Å; Y164-S166 PolarHBondContact O-N 3.39Å; S166-L168 WeakPolarHBondContact O-CG 3.27Å; S166-L168 PolarHBondContact O-N 2.96Å |
| 167 | K | 44.6 | Very low | 48.1 | Very low | 194 Ų | 194 | 125.9 Ų | 125.9 | 84% | 0.843 | 64% | 0.639 | S | S | * | * | | | trans | -59.4 | 92.9 | -177.6 | -70.1 | -173.4 | 176.5 | -176.4 | 0 | 111.9 | E165 N169 | E165-K167 PolarHBondContact O-N 3Å; E165-K167 VanDerWaalsContact O-N 3.14Å; K167-N169 PolarHBondContact O-N 3.24Å |
| 168 | L | 45.8 | Very low | 49.2 | Very low | 75 Ų | 75 | 122.4 Ų | 122.4 | 39% | 0.393 | 63% | 0.631 | S | S | . | * | | | trans | -69.2 | 96.8 | 174.3 | -61.7 | 179.6 | 0 | 0 | 0 | 108.7 | S166 S170 Q173 | S166-L168 WeakPolarHBondContact O-CG 3.27Å; S166-L168 PolarHBondContact O-N 2.96Å; L168-S170 PolarHBondContact O-N 3.28Å; L168-Q173 HydrophobicContact CB-CB 3.96Å; L168-Q173 HydrophobicContact CD1-CB 3.97Å; L168-Q173 HydrophobicContact CD2-CB 4.36Å; L168-Q173 HydrophobicContact CG-CB 4.31Å |
| 169 | N | 45.4 | Very low | 50.5 | Low | 158 Ų | 158 | 122.6 Ų | 122.6 | 85% | 0.845 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -73.5 | 52.1 | -178.8 | -86.5 | -23 | 0 | 0 | 0 | 112.9 | K167 | K167-N169 PolarHBondContact O-N 3.24Š|
| 170 | S | 40.6 | Very low | 51.8 | Low | 43 Ų | 43 | 119.1 Ų | 119.1 | 30% | 0.301 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -173.3 | 140.4 | 158.8 | -175.5 | 0 | 0 | 0 | 0 | 110.1 | L168 L172 Q173 | L168-S170 PolarHBondContact O-N 3.28Å; S170-L172 PolarHBondContact O-N 3.19Å; S170-L172 PolarHBondContact OG-N 3.35Å; S170-Q173 PolarHBondContact O-N 2.91Å; S170-Q173 VanDerWaalsContact O-N 3.15Å |
| 171 | P | 44.5 | Very low | 53.5 | Low | 120 Ų | 120 | 117.2 Ų | 117.2 | 78% | 0.779 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -53.4 | -26.2 | 169.9 | -26.6 | 35.5 | 0 | 0 | 0 | 114 | Q173 | P171-Q173 PolarHBondContact O-N 3.47Š|
| 172 | L | 46.9 | Very low | 54.9 | Low | 137 Ų | 137 | 117.2 Ų | 117.2 | 72% | 0.717 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -68.6 | -11.8 | -179.7 | -76.3 | 159.6 | 0 | 0 | 0 | 114.9 | S170 | S170-L172 PolarHBondContact O-N 3.19Å; S170-L172 PolarHBondContact OG-N 3.35Å |
| 173 | Q | 51.3 | Low | 56.2 | Low | 76 Ų | 76 | 115 Ų | 115 | 36% | 0.355 | 59% | 0.591 | S | S | . | * | G | 310 helix | trans | -92.6 | -14.1 | -178.1 | -70.5 | -175.5 | -20.8 | 0 | 0 | 113.8 | L168 S170 P171 T175 | L168-Q173 HydrophobicContact CB-CB 3.96Å; L168-Q173 HydrophobicContact CD1-CB 3.97Å; L168-Q173 HydrophobicContact CD2-CB 4.36Å; L168-Q173 HydrophobicContact CG-CB 4.31Å; S170-Q173 PolarHBondContact O-N 2.91Å; S170-Q173 VanDerWaalsContact O-N 3.15Å; P171-Q173 PolarHBondContact O-N 3.47Å; Q173-T175 PolarHBondContact O-N 2.97Å |
| 174 | K | 51.9 | Low | 57.5 | Low | 164 Ų | 164 | 113.2 Ų | 113.2 | 71% | 0.713 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -4.9 | 179.8 | -70.9 | -160.5 | 171.4 | -158.8 | 0 | 114.8 | | |
| 175 | T | 52.6 | Low | 58.8 | Low | 118 Ų | 118 | 106.9 Ų | 106.9 | 72% | 0.724 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | -3 | -176.8 | 54.8 | 0 | 0 | 0 | 0 | 114.4 | Q173 | Q173-T175 PolarHBondContact O-N 2.97Š|
| 176 | L | 56.8 | Low | 60.2 | Low | 84 Ų | 84 | 107.6 Ų | 107.6 | 44% | 0.44 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -102.1 | 115.7 | -178.5 | -66.6 | 174.3 | 0 | 0 | 0 | 110.7 | V180 | L176-V180 HydrophobicContact CD2-CG1 4.15Š|
| 177 | S | 67.5 | Low | 61.7 | Low | 69 Ų | 69 | 108.6 Ų | 108.6 | 48% | 0.483 | 57% | 0.567 | S | S | . | * | | | trans | -55.3 | 140.1 | 172.1 | 180 | 0 | 0 | 0 | 0 | 110.6 | I179 V180 W181 | S177-I179 PolarHBondContact O-N 2.9Å; S177-V180 WeakPolarHBondContact O-CA 3.29Å; S177-V180 WeakPolarHBondContact O-CB 3.42Å; S177-V180 PolarHBondContact O-N 3.49Å; S177-W181 PolarHBondContact O-N 3.49Å |
| 178 | P | 70.1 | Confident | 63 | Low | 100 Ų | 100 | 104 Ų | 104 | 65% | 0.649 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -53.5 | -33.6 | -175 | -30.5 | 36.2 | 0 | 0 | 0 | 114.7 | V180 W181 C182 | P178-V180 VanDerWaalsContact C-N 3.33Å; P178-V180 PolarHBondContact O-N 3.42Å; P178-W181 PolarHBondContact O-N 3.37Å; P178-C182 WeakPolarHBondContact O-CB 3.34Å; P178-C182 PolarHBondContact O-N 2.87Å; P178-C182 PolarHBondContact O-SG 2.7Å; P178-C182 VanDerWaalsContact O-SG 3.32Å |
| 179 | I | 74.8 | Confident | 64.5 | Low | 115 Ų | 115 | 103 Ų | 103 | 59% | 0.59 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -66.9 | -33.6 | 175.8 | -167.6 | 61.4 | 0 | 0 | 0 | 112.6 | S177 R183 | S177-I179 PolarHBondContact O-N 2.9Å; I179-R183 WeakPolarHBondContact O-CG 3.44Å; I179-R183 PolarHBondContact O-N 3.05Å; I179-R183 VanDerWaalsContact O-N 3.14Å |
| 180 | V | 73.2 | Confident | 66.1 | Low | 71 Ų | 71 | 98.2 Ų | 98.2 | 43% | 0.43 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -73.5 | -39.5 | 175.2 | -177.7 | 0 | 0 | 0 | 0 | 110.2 | L176 S177 P178 R183 Q184 | L176-V180 HydrophobicContact CD2-CG1 4.15Å; S177-V180 WeakPolarHBondContact O-CA 3.29Å; S177-V180 WeakPolarHBondContact O-CB 3.42Å; S177-V180 PolarHBondContact O-N 3.49Å; P178-V180 VanDerWaalsContact C-N 3.33Å; P178-V180 PolarHBondContact O-N 3.42Å; V180-R183 PolarHBondContact O-N 2.79Å; V180-Q184 VanDerWaalsContact O-CB 3.28Å; V180-Q184 WeakPolarHBondContact O-CB 3.34Å; V180-Q184 PolarHBondContact O-N 3.37Å |
| 181 | W | 78.8 | Confident | 68 | Low | 124 Ų | 124 | 101 Ų | 101 | 47% | 0.47 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.9 | -49.7 | 173 | -178.5 | 89.3 | 0 | 0 | 0 | 111.8 | S177 P178 R183 Q184 T185 | S177-W181 PolarHBondContact O-N 3.49Å; P178-W181 PolarHBondContact O-N 3.37Å; W181-R183 VanDerWaalsContact C-N 3.3Å; W181-R183 PolarHBondContact O-N 2.9Å; W181-Q184 PolarHBondContact O-N 3.04Å; W181-Q184 VanDerWaalsContact O-N 3.16Å; W181-T185 PolarHBondContact O-N 3.25Å; W181-T185 PolarHBondContact O-OG1 2.88Å |
| 182 | C | 75.8 | Confident | 69.9 | Low | 55 Ų | 55 | 102.7 Ų | 102.7 | 37% | 0.372 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -56.1 | -43.7 | 176.9 | -73.8 | 0 | 0 | 0 | 0 | 112.1 | P178 L186 | P178-C182 WeakPolarHBondContact O-CB 3.34Å; P178-C182 PolarHBondContact O-N 2.87Å; P178-C182 PolarHBondContact O-SG 2.7Å; P178-C182 VanDerWaalsContact O-SG 3.32Å; C182-L186 WeakPolarHBondContact O-CB 3.22Å; C182-L186 WeakPolarHBondContact O-CD1 3.45Å; C182-L186 VanDerWaalsContact O-CG 3.25Å; C182-L186 WeakPolarHBondContact O-CG 3.33Å; C182-L186 PolarHBondContact O-N 3.49Å; C182-L186 VanDerWaalsContact O-N 3.16Å |
| 183 | R | 80.4 | Confident | 71.6 | Confident | 160 Ų | 160 | 101.9 Ų | 101.9 | 60% | 0.604 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.4 | -49.3 | 174.9 | -71.6 | -171.8 | 68.2 | -157.9 | -3.3 | 111.7 | I179 V180 W181 T185 L186 D187 | I179-R183 WeakPolarHBondContact O-CG 3.44Å; I179-R183 PolarHBondContact O-N 3.05Å; I179-R183 VanDerWaalsContact O-N 3.14Å; V180-R183 PolarHBondContact O-N 2.79Å; W181-R183 VanDerWaalsContact C-N 3.3Å; W181-R183 PolarHBondContact O-N 2.9Å; R183-T185 VanDerWaalsContact C-N 3.27Å; R183-T185 PolarHBondContact O-N 3.45Å; R183-L186 PolarHBondContact O-N 2.79Å; R183-L186 VanDerWaalsContact O-N 3.08Å; R183-D187 IonicContact NE-OD2 3.89Å; R183-D187 IonicContact NH2-OD2 3.88Å; R183-D187 VanDerWaalsContact O-CB 3.25Å; R183-D187 WeakPolarHBondContact O-CB 3.29Å; R183-D187 VanDerWaalsContact O-CG 3.28Å; R183-D187 PolarHBondContact O-N 3.12Å |
| 184 | Q | 74.6 | Confident | 73.3 | Confident | 105 Ų | 105 | 101.6 Ų | 101.6 | 49% | 0.491 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -54.1 | -41.6 | 178.6 | -176.9 | 61.1 | 27.5 | 0 | 0 | 112.5 | V180 W181 N188 | V180-Q184 VanDerWaalsContact O-CB 3.28Å; V180-Q184 WeakPolarHBondContact O-CB 3.34Å; V180-Q184 PolarHBondContact O-N 3.37Å; W181-Q184 PolarHBondContact O-N 3.04Å; W181-Q184 VanDerWaalsContact O-N 3.16Å; Q184-N188 PolarHBondContact NE2-ND2 2.88Å; Q184-N188 VanDerWaalsContact NE2-ND2 3.2Å; Q184-N188 VanDerWaalsContact O-CB 3.32Å; Q184-N188 WeakPolarHBondContact O-CB 3.37Å; Q184-N188 PolarHBondContact O-N 3.48Å; Q184-N188 PolarHBondContact O-ND2 2.85Å |
| 185 | T | 72.8 | Confident | 74.9 | Confident | 67 Ų | 67 | 97 Ų | 97 | 41% | 0.411 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -74.5 | -29 | 179 | -57.7 | 0 | 0 | 0 | 0 | 113.9 | W181 R183 | W181-T185 PolarHBondContact O-N 3.25Å; W181-T185 PolarHBondContact O-OG1 2.88Å; R183-T185 VanDerWaalsContact C-N 3.27Å; R183-T185 PolarHBondContact O-N 3.45Å |
| 186 | L | 70.2 | Confident | 76.8 | Confident | 142 Ų | 142 | 94.1 Ų | 94.1 | 74% | 0.743 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -84.9 | -38.3 | 176.9 | -69.9 | 171.3 | 0 | 0 | 0 | 112.6 | C182 R183 N188 | C182-L186 WeakPolarHBondContact O-CB 3.22Å; C182-L186 WeakPolarHBondContact O-CD1 3.45Å; C182-L186 VanDerWaalsContact O-CG 3.25Å; C182-L186 WeakPolarHBondContact O-CG 3.33Å; C182-L186 PolarHBondContact O-N 3.49Å; C182-L186 VanDerWaalsContact O-N 3.16Å; R183-L186 PolarHBondContact O-N 2.79Å; R183-L186 VanDerWaalsContact O-N 3.08Å; L186-N188 VanDerWaalsContact C-N 3.34Å |
| 187 | D | 78 | Confident | 78.3 | Confident | 104 Ų | 104 | 96.8 Ų | 96.8 | 56% | 0.556 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -74.8 | -24.9 | 177.6 | -65.4 | -32.3 | 0 | 0 | 0 | 111.4 | R183 | R183-D187 IonicContact NE-OD2 3.89Å; R183-D187 IonicContact NH2-OD2 3.88Å; R183-D187 VanDerWaalsContact O-CB 3.25Å; R183-D187 WeakPolarHBondContact O-CB 3.29Å; R183-D187 VanDerWaalsContact O-CG 3.28Å; R183-D187 PolarHBondContact O-N 3.12Å |
| 188 | N | 71.8 | Confident | 79.4 | Confident | 96 Ų | 96 | 100.1 Ų | 100.1 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -127.7 | 74.8 | 175.8 | -55.5 | -99.3 | 0 | 0 | 0 | 110.8 | Q184 L186 | Q184-N188 PolarHBondContact NE2-ND2 2.88Å; Q184-N188 VanDerWaalsContact NE2-ND2 3.2Å; Q184-N188 VanDerWaalsContact O-CB 3.32Å; Q184-N188 WeakPolarHBondContact O-CB 3.37Å; Q184-N188 PolarHBondContact O-N 3.48Å; Q184-N188 PolarHBondContact O-ND2 2.85Å; L186-N188 VanDerWaalsContact C-N 3.34Å |
| 189 | P | 76.3 | Confident | 80.5 | Confident | 55 Ų | 55 | 98.4 Ų | 98.4 | 36% | 0.357 | 51% | 0.512 | S | S | . | . | | | trans | -63.5 | 141.2 | 179.8 | 27.3 | -35.2 | 0 | 0 | 0 | 111.7 | M193 E194 | P189-M193 HydrophobicContact CB-CG 4.32Å; P189-E194 HydrophobicContact CB-CG 4.11Å; P189-E194 HydrophobicContact CG-CG 3.94Å |
| 190 | S | 78.6 | Confident | 81.4 | Confident | 57 Ų | 57 | 96.7 Ų | 96.7 | 40% | 0.399 | 50% | 0.504 | S | S | . | . | | | trans | -64.3 | 151.7 | 176.9 | 77.4 | 0 | 0 | 0 | 0 | 111.5 | E192 M193 E194 | S190-E192 PolarHBondContact O-N 3Å; S190-E192 VanDerWaalsContact O-N 3.15Å; S190-M193 WeakPolarHBondContact O-CB 3.41Å; S190-M193 PolarHBondContact O-N 2.85Å; S190-M193 WeakPolarHBondContact OG-CB 3.34Å; S190-M193 PolarHBondContact OG-N 3.43Å; S190-E194 PolarHBondContact O-N 2.98Å |
| 191 | P | 80.4 | Confident | 82.4 | Confident | 101 Ų | 101 | 97.3 Ų | 97.3 | 66% | 0.656 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.4 | -26.3 | 177.9 | 23.6 | -34.1 | 0 | 0 | 0 | 112.7 | S195 | P191-S195 VanDerWaalsContact O-CB 3.27Å; P191-S195 WeakPolarHBondContact O-CB 3.24Å; P191-S195 PolarHBondContact O-N 3.24Å; P191-S195 PolarHBondContact O-OG 2.99Å |
| 192 | E | 84.4 | Confident | 83.1 | Confident | 156 Ų | 156 | 96.9 Ų | 96.9 | 73% | 0.729 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.8 | -49 | 170.2 | -176.9 | 178.8 | -158.3 | 0 | 0 | 111.8 | S190 E194 S195 A196 | S190-E192 PolarHBondContact O-N 3Å; S190-E192 VanDerWaalsContact O-N 3.15Å; E192-E194 VanDerWaalsContact C-N 3.33Å; E192-E194 PolarHBondContact O-N 3.3Å; E192-S195 CarbonylContact O-C 3.6Å; E192-S195 PolarHBondContact O-N 3.32Å; E192-A196 WeakPolarHBondContact O-CB 3.46Å; E192-A196 PolarHBondContact O-N 3.46Å |
| 193 | M | 83.3 | Confident | 83.9 | Confident | 120 Ų | 120 | 100 Ų | 100 | 59% | 0.591 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59 | -43.3 | 176.7 | -179.5 | 62.5 | 70.9 | 0 | 0 | 111.6 | P189 S190 S195 A196 K197 | P189-M193 HydrophobicContact CB-CG 4.32Å; S190-M193 WeakPolarHBondContact O-CB 3.41Å; S190-M193 PolarHBondContact O-N 2.85Å; S190-M193 WeakPolarHBondContact OG-CB 3.34Å; S190-M193 PolarHBondContact OG-N 3.43Å; M193-S195 VanDerWaalsContact C-N 3.33Å; M193-S195 PolarHBondContact O-N 3.37Å; M193-A196 PolarHBondContact O-N 2.91Å; M193-K197 WeakPolarHBondContact O-CB 3.47Å; M193-K197 PolarHBondContact O-N 3.24Å |
| 194 | E | 86.6 | Confident | 84.5 | Confident | 71 Ų | 71 | 97 Ų | 97 | 33% | 0.332 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64 | -38 | 173.8 | -62.3 | -157.4 | -40.1 | 0 | 0 | 112.7 | P189 S190 E192 K197 R198 | P189-E194 HydrophobicContact CB-CG 4.11Å; P189-E194 HydrophobicContact CG-CG 3.94Å; S190-E194 PolarHBondContact O-N 2.98Å; E192-E194 VanDerWaalsContact C-N 3.33Å; E192-E194 PolarHBondContact O-N 3.3Å; E194-K197 WeakPolarHBondContact O-CB 3.47Å; E194-K197 PolarHBondContact O-N 2.93Å; E194-R198 WeakPolarHBondContact O-CB 3.26Å; E194-R198 VanDerWaalsContact O-CG 3.25Å; E194-R198 WeakPolarHBondContact O-CG 3.34Å; E194-R198 PolarHBondContact O-N 2.93Å; E194-R198 IonicContact OE1-CZ 3.19Å; E194-R198 IonicContact OE1-NH1 2.76Å; E194-R198 PolarHBondContact OE1-NH1 3.08Å; E194-R198 IonicContact OE1-NH2 2.73Å; E194-R198 PolarHBondContact OE1-NH2 3.49Å; E194-R198 IonicContact OE2-NH2 3.34Å; E194-R198 PolarHBondContact OE2-NH2 2.93Å |
| 195 | S | 86.9 | Confident | 85.3 | Confident | 67 Ų | 67 | 96.3 Ų | 96.3 | 47% | 0.469 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.5 | -39 | 179.5 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | P191 E192 M193 R198 S199 | P191-S195 VanDerWaalsContact O-CB 3.27Å; P191-S195 WeakPolarHBondContact O-CB 3.24Å; P191-S195 PolarHBondContact O-N 3.24Å; P191-S195 PolarHBondContact O-OG 2.99Å; E192-S195 CarbonylContact O-C 3.6Å; E192-S195 PolarHBondContact O-N 3.32Å; M193-S195 VanDerWaalsContact C-N 3.33Å; M193-S195 PolarHBondContact O-N 3.37Å; S195-R198 PolarHBondContact O-N 2.88Å; S195-S199 VanDerWaalsContact O-CB 3.3Å; S195-S199 WeakPolarHBondContact O-CB 3.44Å; S195-S199 PolarHBondContact O-N 2.94Å |
| 196 | A | 90.9 | Very high | 86.2 | Confident | 57 Ų | 57 | 97.9 Ų | 97.9 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.8 | -44.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | E192 M193 S199 L200 | E192-A196 WeakPolarHBondContact O-CB 3.46Å; E192-A196 PolarHBondContact O-N 3.46Å; M193-A196 PolarHBondContact O-N 2.91Å; A196-S199 PolarHBondContact O-N 3.04Å; A196-L200 WeakPolarHBondContact O-CB 3.39Å; A196-L200 PolarHBondContact O-N 2.86Å |
| 197 | K | 88.6 | Confident | 87.1 | Confident | 140 Ų | 140 | 95.5 Ų | 95.5 | 61% | 0.609 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.8 | -47.4 | 173.9 | 179.8 | 177.8 | 178.1 | 178.8 | 0 | 112.2 | M193 E194 S199 L200 I201 | M193-K197 WeakPolarHBondContact O-CB 3.47Å; M193-K197 PolarHBondContact O-N 3.24Å; E194-K197 WeakPolarHBondContact O-CB 3.47Å; E194-K197 PolarHBondContact O-N 2.93Å; K197-S199 PolarHBondContact O-N 2.99Å; K197-L200 PolarHBondContact O-N 3.31Å; K197-I201 HydrophobicContact CG-CD1 4.07Å; K197-I201 VanDerWaalsContact O-CG1 3.29Å; K197-I201 WeakPolarHBondContact O-CG1 3.39Å; K197-I201 PolarHBondContact O-N 3.39Å |
| 198 | R | 90.4 | Very high | 87.1 | Confident | 140 Ų | 140 | 95.6 Ų | 95.6 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 176.2 | -71.9 | 166.8 | -175.1 | 125.1 | 10.6 | 111.8 | E194 S195 I201 H202 | E194-R198 WeakPolarHBondContact O-CB 3.26Å; E194-R198 VanDerWaalsContact O-CG 3.25Å; E194-R198 WeakPolarHBondContact O-CG 3.34Å; E194-R198 PolarHBondContact O-N 2.93Å; E194-R198 IonicContact OE1-CZ 3.19Å; E194-R198 IonicContact OE1-NH1 2.76Å; E194-R198 PolarHBondContact OE1-NH1 3.08Å; E194-R198 IonicContact OE1-NH2 2.73Å; E194-R198 PolarHBondContact OE1-NH2 3.49Å; E194-R198 IonicContact OE2-NH2 3.34Å; E194-R198 PolarHBondContact OE2-NH2 2.93Å; S195-R198 PolarHBondContact O-N 2.88Å; R198-I201 PolarHBondContact O-N 3.23Å; R198-H202 WeakPolarHBondContact O-CB 3.34Å; R198-H202 PolarHBondContact O-N 3.05Å |
| 199 | S | 94.6 | Very high | 87.3 | Confident | 63 Ų | 63 | 94.1 Ų | 94.1 | 44% | 0.441 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.2 | -40.6 | 176 | -176.7 | 0 | 0 | 0 | 0 | 112.8 | S195 A196 K197 H202 R203 | S195-S199 VanDerWaalsContact O-CB 3.3Å; S195-S199 WeakPolarHBondContact O-CB 3.44Å; S195-S199 PolarHBondContact O-N 2.94Å; A196-S199 PolarHBondContact O-N 3.04Å; K197-S199 PolarHBondContact O-N 2.99Å; S199-H202 PolarHBondContact O-N 3.43Å; S199-R203 WeakPolarHBondContact O-CG 3.35Å; S199-R203 PolarHBondContact O-N 3.42Å |
| 200 | L | 92.9 | Very high | 86.9 | Confident | 79 Ų | 79 | 94.4 Ų | 94.4 | 41% | 0.414 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.4 | -45.7 | 175.5 | -179.2 | 63 | 0 | 0 | 0 | 111.7 | A196 K197 H202 R203 L204 | A196-L200 WeakPolarHBondContact O-CB 3.39Å; A196-L200 PolarHBondContact O-N 2.86Å; K197-L200 PolarHBondContact O-N 3.31Å; L200-H202 PolarHBondContact O-N 3.42Å; L200-R203 PolarHBondContact O-N 3.24Å; L200-L204 HydrophobicContact CD1-CD1 4.37Å; L200-L204 HydrophobicContact CD1-CG 4.45Å; L200-L204 HydrophobicContact CG-CD1 4.15Å; L200-L204 WeakPolarHBondContact O-CG 3.28Å; L200-L204 PolarHBondContact O-N 3.39Å |
| 201 | I | 93.4 | Very high | 86.2 | Confident | 84 Ų | 84 | 96.7 Ų | 96.7 | 43% | 0.431 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.1 | -49.5 | 175.1 | -67.6 | 163.6 | 0 | 0 | 0 | 110 | K197 R198 R203 L204 D205 | K197-I201 HydrophobicContact CG-CD1 4.07Å; K197-I201 VanDerWaalsContact O-CG1 3.29Å; K197-I201 WeakPolarHBondContact O-CG1 3.39Å; K197-I201 PolarHBondContact O-N 3.39Å; R198-I201 PolarHBondContact O-N 3.23Å; I201-R203 VanDerWaalsContact C-N 3.34Å; I201-R203 PolarHBondContact O-N 3.39Å; I201-L204 PolarHBondContact O-N 3.4Å; I201-L204 VanDerWaalsContact O-N 3.07Å; I201-D205 PolarHBondContact O-N 3.45Å |
| 202 | H | 93.4 | Very high | 85.2 | Confident | 116 Ų | 116 | 99.2 Ų | 99.2 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.6 | -39.8 | 177.9 | 179.9 | -113.4 | 0 | 0 | 0 | 113.1 | R198 S199 L200 L206 | R198-H202 WeakPolarHBondContact O-CB 3.34Å; R198-H202 PolarHBondContact O-N 3.05Å; S199-H202 PolarHBondContact O-N 3.43Å; L200-H202 PolarHBondContact O-N 3.42Å; H202-L206 WeakPolarHBondContact O-CB 3.33Å; H202-L206 VanDerWaalsContact O-CG 3.28Å; H202-L206 WeakPolarHBondContact O-CG 3.37Å; H202-L206 PolarHBondContact O-N 2.94Å |
| 203 | R | 93 | Very high | 83.8 | Confident | 120 Ų | 120 | 101.3 Ų | 101.3 | 45% | 0.453 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 172.5 | -79.2 | 166.9 | 53.8 | -149.5 | -3.6 | 112.3 | S199 L200 I201 T207 | S199-R203 WeakPolarHBondContact O-CG 3.35Å; S199-R203 PolarHBondContact O-N 3.42Å; L200-R203 PolarHBondContact O-N 3.24Å; I201-R203 VanDerWaalsContact C-N 3.34Å; I201-R203 PolarHBondContact O-N 3.39Å; R203-T207 PolarHBondContact O-N 3.08Å; R203-T207 PolarHBondContact O-OG1 2.91Å; R203-T207 VanDerWaalsContact O-OG1 3.04Å |
| 204 | L | 93.1 | Very high | 82.4 | Confident | 98 Ų | 98 | 104.5 Ų | 104.5 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.9 | -42.7 | 178.5 | -70.1 | 170.7 | 0 | 0 | 0 | 111.4 | L200 I201 L206 T207 L208 | L200-L204 HydrophobicContact CD1-CD1 4.37Å; L200-L204 HydrophobicContact CD1-CG 4.45Å; L200-L204 HydrophobicContact CG-CD1 4.15Å; L200-L204 WeakPolarHBondContact O-CG 3.28Å; L200-L204 PolarHBondContact O-N 3.39Å; I201-L204 PolarHBondContact O-N 3.4Å; I201-L204 VanDerWaalsContact O-N 3.07Å; L204-L206 PolarHBondContact O-N 3.31Å; L204-T207 PolarHBondContact O-N 3.13Å; L204-L208 VanDerWaalsContact O-CB 3.29Å; L204-L208 WeakPolarHBondContact O-CB 3.36Å; L204-L208 PolarHBondContact O-N 2.98Å |
| 205 | D | 92.2 | Very high | 80.7 | Confident | 90 Ų | 90 | 105.9 Ų | 105.9 | 48% | 0.481 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.8 | -40.2 | 175.4 | -76.4 | -28.3 | 0 | 0 | 0 | 112.2 | I201 S209 | I201-D205 PolarHBondContact O-N 3.45Å; D205-S209 WeakPolarHBondContact O-CB 2.98Å; D205-S209 PolarHBondContact O-N 3.09Å; D205-S209 PolarHBondContact O-OG 3.15Å |
| 206 | L | 90.6 | Very high | 79.1 | Confident | 99 Ų | 99 | 109.5 Ų | 109.5 | 52% | 0.518 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.9 | -47.5 | 171.8 | -78.1 | 170.9 | 0 | 0 | 0 | 111.6 | H202 L204 S209 A210 | H202-L206 WeakPolarHBondContact O-CB 3.33Å; H202-L206 VanDerWaalsContact O-CG 3.28Å; H202-L206 WeakPolarHBondContact O-CG 3.37Å; H202-L206 PolarHBondContact O-N 2.94Å; L204-L206 PolarHBondContact O-N 3.31Å; L206-S209 PolarHBondContact O-N 3.4Å; L206-A210 WeakPolarHBondContact O-CB 3.49Å; L206-A210 PolarHBondContact O-N 3.08Å |
| 207 | T | 88.8 | Confident | 77.2 | Confident | 92 Ų | 92 | 116 Ų | 116 | 56% | 0.564 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.5 | -43.9 | 178.7 | -63.3 | 0 | 0 | 0 | 0 | 111.9 | R203 L204 A210 N211 | R203-T207 PolarHBondContact O-N 3.08Å; R203-T207 PolarHBondContact O-OG1 2.91Å; R203-T207 VanDerWaalsContact O-OG1 3.04Å; L204-T207 PolarHBondContact O-N 3.13Å; T207-A210 PolarHBondContact O-N 3.48Å; T207-N211 WeakPolarHBondContact O-CB 3.27Å; T207-N211 PolarHBondContact O-N 3.02Å |
| 208 | L | 79.9 | Confident | 74.7 | Confident | 107 Ų | 107 | 112.4 Ų | 112.4 | 56% | 0.56 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.5 | -37.4 | 178.8 | -163.6 | 71.3 | 0 | 0 | 0 | 111.4 | L204 N211 K212 | L204-L208 VanDerWaalsContact O-CB 3.29Å; L204-L208 WeakPolarHBondContact O-CB 3.36Å; L204-L208 PolarHBondContact O-N 2.98Å; L208-N211 PolarHBondContact O-N 2.93Å; L208-K212 PolarHBondContact O-N 3.22Å |
| 209 | S | 75.8 | Confident | 71.9 | Confident | 65 Ų | 65 | 110.9 Ų | 110.9 | 46% | 0.455 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68.1 | -39.1 | 173.6 | -63.1 | 0 | 0 | 0 | 0 | 112.5 | D205 L206 R213 | D205-S209 WeakPolarHBondContact O-CB 2.98Å; D205-S209 PolarHBondContact O-N 3.09Å; D205-S209 PolarHBondContact O-OG 3.15Å; L206-S209 PolarHBondContact O-N 3.4Å; S209-R213 PolarHBondContact O-N 3.16Å; S209-R213 VanDerWaalsContact O-N 3.16Å |
| 210 | A | 66.3 | Low | 69.6 | Low | 60 Ų | 60 | 113.4 Ų | 113.4 | 50% | 0.496 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.8 | -40.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L206 T207 R213 R214 | L206-A210 WeakPolarHBondContact O-CB 3.49Å; L206-A210 PolarHBondContact O-N 3.08Å; T207-A210 PolarHBondContact O-N 3.48Å; A210-R213 PolarHBondContact O-N 3.33Å; A210-R214 PolarHBondContact O-N 3.02Å |
| 211 | N | 64.4 | Low | 67.3 | Low | 105 Ų | 105 | 119 Ų | 119 | 56% | 0.561 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.3 | -41.6 | 177.4 | -155 | -1.9 | 0 | 0 | 0 | 111.8 | T207 L208 R213 R214 S215 | T207-N211 WeakPolarHBondContact O-CB 3.27Å; T207-N211 PolarHBondContact O-N 3.02Å; L208-N211 PolarHBondContact O-N 2.93Å; N211-R213 PolarHBondContact O-N 3.14Å; N211-R214 WeakPolarHBondContact O-CB 3.29Å; N211-R214 PolarHBondContact O-N 3.37Å; N211-S215 PolarHBondContact O-N 2.72Å |
| 212 | K | 59.3 | Low | 65.1 | Low | 155 Ų | 155 | 123.7 Ų | 123.7 | 67% | 0.674 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -55.2 | -36.7 | 169.4 | -89.5 | -177.3 | 171.4 | 177.2 | 0 | 113.1 | L208 | L208-K212 PolarHBondContact O-N 3.22Å |
| 213 | R | 54.7 | Low | 62.2 | Low | 199 Ų | 199 | 126.7 Ų | 126.7 | 75% | 0.751 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -76 | -31.5 | 174.7 | -68.6 | -176.9 | -172.7 | -175.6 | 4.1 | 113.2 | S209 A210 N211 L216 | S209-R213 PolarHBondContact O-N 3.16Å; S209-R213 VanDerWaalsContact O-N 3.16Å; A210-R213 PolarHBondContact O-N 3.33Å; N211-R213 PolarHBondContact O-N 3.14Å; R213-L216 PolarHBondContact O-N 2.84Å |
| 214 | R | 54.3 | Low | 59.6 | Low | 187 Ų | 187 | 130.6 Ų | 130.6 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -66.2 | -38.5 | 172.8 | -174.2 | 65.7 | 70.2 | -179 | 5.3 | 111.4 | A210 N211 L216 Y217 | A210-R214 PolarHBondContact O-N 3.02Å; N211-R214 WeakPolarHBondContact O-CB 3.29Å; N211-R214 PolarHBondContact O-N 3.37Å; R214-L216 PolarHBondContact O-N 3.23Å; R214-L216 VanDerWaalsContact O-N 3.08Å; R214-Y217 PolarHBondContact O-N 3.42Å |
| 215 | S | 50.8 | Low | 56.7 | Low | 101 Ų | 101 | 130.5 Ų | 130.5 | 71% | 0.706 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -15.8 | 178.8 | -170.2 | 0 | 0 | 0 | 0 | 114.9 | N211 | N211-S215 PolarHBondContact O-N 2.72Š|
| 216 | L | 52.6 | Low | 54.1 | Low | 142 Ų | 142 | 137.2 Ų | 137.2 | 74% | 0.743 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -5.5 | 177.4 | -66.1 | 173.9 | 0 | 0 | 0 | 113.5 | R213 R214 | R213-L216 PolarHBondContact O-N 2.84Å; R214-L216 PolarHBondContact O-N 3.23Å; R214-L216 VanDerWaalsContact O-N 3.08Å |
| 217 | Y | 51.7 | Low | 51.5 | Low | 193 Ų | 193 | 136.3 Ų | 136.3 | 76% | 0.757 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -128.2 | 71.2 | -178.4 | -77.8 | -82.5 | 0 | 0 | 0 | 111.7 | R214 | R214-Y217 PolarHBondContact O-N 3.42Š|
| 218 | G | 36.6 | Very low | 48.8 | Very low | 65 Ų | 65 | 137.1 Ų | 137.1 | 67% | 0.67 | 73% | 0.727 | S | S | * | * | | | trans | 64.9 | 109.7 | 153.5 | 0 | 0 | 0 | 0 | 0 | 118 | P220 | G218-P220 WeakPolarHBondContact O-CD 3.48Š|
| 219 | S | 31.9 | Very low | 47.1 | Very low | 108 Ų | 108 | 137.5 Ų | 137.5 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | | | trans | -74.2 | 123.4 | 148.5 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | Y221 | S219-Y221 VanDerWaalsContact C-N 3.33Å; S219-Y221 PolarHBondContact O-N 2.74Å |
| 220 | P | 45.3 | Very low | 45.3 | Very low | 117 Ų | 117 | 145 Ų | 145 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | | | trans | -84.7 | 0.9 | -174.3 | 32.1 | -33.7 | 0 | 0 | 0 | 114.5 | G218 | G218-P220 WeakPolarHBondContact O-CD 3.48Š|
| 221 | Y | 44.4 | Very low | 43.7 | Very low | 197 Ų | 197 | 147.8 Ų | 147.8 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -135 | 97.8 | -179.2 | -84.2 | -88.1 | 0 | 0 | 0 | 112.2 | S219 | S219-Y221 VanDerWaalsContact C-N 3.33Å; S219-Y221 PolarHBondContact O-N 2.74Å |
| 222 | L | 47.2 | Very low | 42.6 | Very low | 181 Ų | 181 | 149.1 Ų | 149.1 | 95% | 0.948 | 78% | 0.784 | S | S | * | * | | | trans | 157.7 | 88.2 | 141 | -87.9 | 165 | 0 | 0 | 0 | 110.2 | | |
| 223 | Q | 33.7 | Very low | 41.7 | Very low | 179 Ų | 179 | 149.6 Ų | 149.6 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | | | trans | -146 | 80.3 | 164.6 | -167.6 | 174.2 | -17.7 | 0 | 0 | 111.9 | | |
| 224 | Q | 37.9 | Very low | 41.3 | Very low | 203 Ų | 203 | 144 Ų | 144 | 95% | 0.949 | 79% | 0.79 | S | S | * | * | | | trans | -105.1 | 101.8 | 144.7 | -80.8 | -169.4 | -25.4 | 0 | 0 | 107.2 | | |
| 225 | S | 32.2 | Very low | 40.9 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 66% | 0.664 | 80% | 0.795 | S | S | * | * | | | trans | -136.9 | 114.8 | 174.1 | -177.1 | 0 | 0 | 0 | 0 | 108.1 | G227 | S225-G227 PolarHBondContact O-N 2.89Š|
| 226 | Y | 37.2 | Very low | 40.2 | Very low | 231 Ų | 231 | 143 Ų | 143 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | | | trans | -74.1 | 120 | 167.5 | -79 | -91.6 | 0 | 0 | 0 | 107.8 | S228 | Y226-S228 PolarHBondContact O-N 3.31Š|
| 227 | G | 37.2 | Very low | 39.2 | Very low | 81 Ų | 81 | 141 Ų | 141 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | trans | -66 | 130.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S225 | S225-G227 PolarHBondContact O-N 2.89Š|
| 228 | S | 32 | Very low | 39 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | | | trans | -116.2 | 127.8 | 166.1 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | Y226 Y230 | Y226-S228 PolarHBondContact O-N 3.31Å; S228-Y230 VanDerWaalsContact C-N 3.33Å; S228-Y230 PolarHBondContact O-N 2.85Å; S228-Y230 VanDerWaalsContact O-N 3.14Å |
| 229 | P | 44 | Very low | 38.9 | Very low | 115 Ų | 115 | 144.6 Ų | 144.6 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -88 | 26.1 | -158.3 | 35.7 | -38.8 | 0 | 0 | 0 | 115.8 | | |
| 230 | Y | 38.6 | Very low | 38.8 | Very low | 221 Ų | 221 | 145.1 Ų | 145.1 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | | | trans | -140.1 | 92.7 | 176.8 | -80.3 | -77.2 | 0 | 0 | 0 | 113.2 | S228 | S228-Y230 VanDerWaalsContact C-N 3.33Å; S228-Y230 PolarHBondContact O-N 2.85Å; S228-Y230 VanDerWaalsContact O-N 3.14Å |
| 231 | S | 31.3 | Very low | 38.4 | Very low | 120 Ų | 120 | 145.4 Ų | 145.4 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | | | trans | -160 | 125.5 | 151.5 | -164.6 | 0 | 0 | 0 | 0 | 110.8 | N233 | S231-N233 PolarHBondContact O-N 2.68Š|
| 232 | T | 42 | Very low | 37.7 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 82% | 0.816 | 82% | 0.819 | S | S | * | * | | | trans | -79.1 | 112.5 | 175.9 | 47.3 | 0 | 0 | 0 | 0 | 110 | A234 | T232-A234 PolarHBondContact O-N 2.98Š|
| 233 | N | 39.9 | Very low | 37.1 | Very low | 165 Ų | 165 | 139.4 Ų | 139.4 | 88% | 0.882 | 81% | 0.811 | S | S | * | * | | | trans | -71.6 | 100.9 | -174.8 | -157.8 | -6.4 | 0 | 0 | 0 | 111.1 | S231 | S231-N233 PolarHBondContact O-N 2.68Š|
| 234 | A | 46.3 | Very low | 37.1 | Very low | 80 Ų | 80 | 138.2 Ų | 138.2 | 66% | 0.661 | 81% | 0.81 | S | S | * | * | | | trans | -139.5 | 154.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | T232 | T232-A234 PolarHBondContact O-N 2.98Š|
| 235 | A | 46.8 | Very low | 36.7 | Very low | 100 Ų | 100 | 132.7 Ų | 132.7 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | | | trans | 61.8 | 73 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 236 | N | 35.3 | Very low | 36.9 | Very low | 167 Ų | 167 | 134.5 Ų | 134.5 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | | | trans | -146.6 | 62 | 158.8 | -120.6 | -25.4 | 0 | 0 | 0 | 113.2 | | |
| 237 | S | 31.4 | Very low | 36.4 | Very low | 101 Ų | 101 | 128.7 Ų | 128.7 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | | | trans | -173.1 | 128.4 | 152.5 | -173.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 238 | P | 48.3 | Very low | 36.1 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -80.9 | 135.6 | 174.4 | 32.7 | -33.1 | 0 | 0 | 0 | 111.8 | | |
| 239 | Y | 34.7 | Very low | 36.3 | Very low | 226 Ų | 226 | 132 Ų | 132 | 89% | 0.886 | 80% | 0.802 | S | S | * | * | | | trans | 62.7 | 83.5 | 172.6 | -56.9 | -75.2 | 0 | 0 | 0 | 117.4 | | |
| 240 | S | 28.8 | Very low | 36.2 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | trans | -136.2 | 104.5 | 145.5 | -79.8 | 0 | 0 | 0 | 0 | 109.5 | G242 | S240-G242 PolarHBondContact O-N 2.97Š|
| 241 | S | 36.9 | Very low | 35.7 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | | | trans | -83.7 | 92.8 | -177 | 53.6 | 0 | 0 | 0 | 0 | 111.4 | F243 | S241-F243 PolarHBondContact O-N 3.02Å; S241-F243 VanDerWaalsContact O-N 3.13Å |
| 242 | G | 30.5 | Very low | 35.8 | Very low | 76 Ų | 76 | 132.4 Ų | 132.4 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | | | trans | -75.6 | 91.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | S240 N244 | S240-G242 PolarHBondContact O-N 2.97Å; G242-N244 PolarHBondContact O-N 3.42Å |
| 243 | F | 34.1 | Very low | 35.3 | Very low | 175 Ų | 175 | 132.8 Ų | 132.8 | 77% | 0.768 | 80% | 0.8 | S | S | * | * | | | trans | -78.8 | 106.3 | 166.5 | -174.9 | -89.6 | 0 | 0 | 0 | 109.5 | S241 | S241-F243 PolarHBondContact O-N 3.02Å; S241-F243 VanDerWaalsContact O-N 3.13Å |
| 244 | N | 33 | Very low | 36 | Very low | 155 Ų | 155 | 130.4 Ų | 130.4 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | | | trans | -141.4 | 92.2 | 170.3 | -97.7 | -37 | 0 | 0 | 0 | 109.3 | G242 | G242-N244 PolarHBondContact O-N 3.42Š|
| 245 | S | 29.8 | Very low | 35.3 | Very low | 87 Ų | 87 | 134.5 Ų | 134.5 | 61% | 0.608 | 80% | 0.803 | S | S | * | * | | | trans | -111.5 | 108.7 | 173 | -61.3 | 0 | 0 | 0 | 0 | 110.1 | S247 | S245-S247 PolarHBondContact O-N 3.44Š|
| 246 | P | 36.3 | Very low | 34.5 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | | | trans | -85 | 104.1 | 164.6 | 31.8 | -28.6 | 0 | 0 | 0 | 109.4 | | |
| 247 | S | 28 | Very low | 34.5 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | | | trans | -116.8 | 97.2 | 173.9 | -176.6 | 0 | 0 | 0 | 0 | 110.3 | S245 | S245-S247 PolarHBondContact O-N 3.44Š|
| 248 | S | 30 | Very low | 34.4 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | | | trans | -143.5 | 91.9 | 174.3 | -63.9 | 0 | 0 | 0 | 0 | 111 | | |
| 249 | T | 36.8 | Very low | 33.4 | Very low | 135 Ų | 135 | 140.3 Ų | 140.3 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | | | trans | -78.5 | 170.4 | 153.9 | 45.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 250 | P | 41.5 | Very low | 33.3 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | | | cis | -131 | 170.6 | 5.9 | 41.8 | -27.3 | 0 | 0 | 0 | 115.5 | | |
| 251 | C | 27.9 | Very low | 33.6 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 75% | 0.75 | 77% | 0.774 | S | S | * | * | | | | 179.2 | 133.3 | 123.2 | -97.1 | 0 | 0 | 0 | 0 | 115.7 | | |
| 252 | R | 32.8 | Very low | 33.9 | Very low | 242 Ų | 242 | 137 Ų | 137 | 91% | 0.913 | 77% | 0.765 | S | S | * | * | | | trans | 66.2 | 164.2 | 156.8 | -61.8 | -174.3 | -176.3 | -100.7 | -1 | 118.6 | | |
| 253 | V | 32.3 | Very low | 33.8 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | | | trans | -130.1 | 168.7 | -158.6 | -102.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 254 | P | 55.5 | Low | 33.5 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | | | trans | -93.3 | 161.2 | -144.5 | 37.2 | -39.5 | 0 | 0 | 0 | 116.2 | | |
| 255 | I | 31.7 | Very low | 33.4 | Very low | 166 Ų | 166 | 134.6 Ų | 134.6 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | | | trans | -177 | 144.3 | 165.1 | -105.9 | 150.8 | 0 | 0 | 0 | 106.6 | | |
| 256 | V | 30 | Very low | 33.4 | Very low | 104 Ų | 104 | 135.7 Ų | 135.7 | 63% | 0.63 | 76% | 0.762 | S | S | * | * | | | cis | -168.3 | 164.7 | -16.4 | 112.4 | 0 | 0 | 0 | 0 | 107.6 | | |
| 257 | R | 33.6 | Very low | 33.2 | Very low | 212 Ų | 212 | 137.6 Ų | 137.6 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | | | trans | 67.5 | 166 | 169.9 | -82.2 | -177.7 | 174 | 100.9 | 3.8 | 117.9 | | |
| 258 | Q | 29.8 | Very low | 33.2 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 58% | 0.575 | 77% | 0.767 | S | S | * | * | | | cis | 178.4 | 152 | -31 | 172.4 | 176.2 | 9.4 | 0 | 0 | 109.1 | | |
| 259 | Q | 27.5 | Very low | 33.2 | Very low | 158 Ų | 158 | 146.3 Ų | 146.3 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | | | trans | 65.9 | 155.1 | 172.6 | -74.9 | 144.6 | -26 | 0 | 0 | 114.9 | | |
| 260 | L | 32.3 | Very low | 32.8 | Very low | 133 Ų | 133 | 147.9 Ų | 147.9 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | | | cis | -141.8 | 146.3 | 5.9 | -167.1 | 63.9 | 0 | 0 | 0 | 111.7 | | |
| 261 | M | 36.3 | Very low | 32.3 | Very low | 161 Ų | 161 | 147.6 Ų | 147.6 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | | | trans | -118.4 | 140.5 | 156.1 | -70.5 | -80.3 | 99 | 0 | 0 | 107.2 | | |
| 262 | P | 43.1 | Very low | 32.3 | Very low | 106 Ų | 106 | 147 Ų | 147 | 69% | 0.688 | 78% | 0.778 | S | S | * | * | | | | -132.7 | 156.4 | 101.8 | 12.5 | 9.7 | 0 | 0 | 0 | 111.9 | | |
| 263 | S | 27 | Very low | 32.3 | Very low | 90 Ų | 90 | 140 Ų | 140 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | | | cis | 93.6 | 119.9 | 31 | -58.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 264 | N | 28.8 | Very low | 32.2 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | | | trans | 75 | 112.1 | 145.4 | -50.9 | -9.3 | 0 | 0 | 0 | 121.5 | | |
| 265 | S | 31.8 | Very low | 31.1 | Very low | 121 Ų | 121 | 148.3 Ų | 148.3 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | | | | -170.8 | 136 | 107.6 | 47.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 266 | V | 28.3 | Very low | 31.3 | Very low | 110 Ų | 110 | 147.6 Ų | 147.6 | 67% | 0.667 | 78% | 0.779 | S | S | * | * | | | cis | 96 | 89.3 | 27 | -178 | 0 | 0 | 0 | 0 | 113.6 | | |
| 267 | H | 31.8 | Very low | 32.4 | Very low | 172 Ų | 172 | 147.8 Ų | 147.8 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | | | trans | 53.4 | 128.2 | 152.8 | -48.1 | -42.5 | 0 | 0 | 0 | 121.8 | | |
| 268 | Q | 28.7 | Very low | 32.9 | Very low | 200 Ų | 200 | 143.2 Ų | 143.2 | 94% | 0.935 | 78% | 0.78 | S | S | * | * | | | | -137.8 | 155.6 | 123.9 | -144.2 | 167.5 | 108.6 | 0 | 0 | 110.7 | | |
| 269 | R | 30 | Very low | 33 | Very low | 217 Ų | 217 | 142 Ų | 142 | 82% | 0.819 | 79% | 0.79 | S | S | * | * | | | trans | -103.2 | 145.1 | -172.7 | -72.5 | 172.9 | -84.2 | 144.5 | -6.2 | 110.8 | | |
| 270 | N | 27.4 | Very low | 33.2 | Very low | 168 Ų | 168 | 142.5 Ų | 142.5 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | | | | -172.3 | 163.3 | 116.5 | -87.3 | -25.2 | 0 | 0 | 0 | 109.9 | | |
| 271 | A | 31 | Very low | 33 | Very low | 104 Ų | 104 | 141.4 Ų | 141.4 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | trans | -130.8 | 144.9 | -164.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 272 | A | 28.5 | Very low | 33.1 | Very low | 99 Ų | 99 | 139.9 Ų | 139.9 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -163.7 | 155 | 155.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 273 | A | 33.7 | Very low | 32.6 | Very low | 96 Ų | 96 | 143.3 Ų | 143.3 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | S | Bend | trans | 66.1 | 123 | 166.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 274 | E | 29.4 | Very low | 32.9 | Very low | 189 Ų | 189 | 144.3 Ų | 144.3 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | | | trans | 32.7 | 109.9 | 149.5 | -47.3 | -155.5 | 135.9 | 0 | 0 | 119.7 | | |
| 275 | R | 32.6 | Very low | 33.2 | Very low | 242 Ų | 242 | 142 Ų | 142 | 91% | 0.913 | 81% | 0.811 | S | S | * | * | | | cis | 86.4 | 73.8 | 36.8 | -157.1 | -179.5 | -173.5 | 163 | 3.9 | 116.2 | | |
| 276 | N | 35.4 | Very low | 33.2 | Very low | 150 Ų | 150 | 142.2 Ų | 142.2 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | | | trans | -116.3 | -178 | 147.7 | -116.1 | -73.6 | 0 | 0 | 0 | 107.5 | | |
| 277 | P | 52.6 | Low | 33.4 | Very low | 108 Ų | 108 | 143.5 Ų | 143.5 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | | | cis | -106.5 | -107.3 | -18.8 | 22.4 | 1.6 | 0 | 0 | 0 | 110 | | |
| 278 | P | 44.8 | Very low | 33.9 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | | | cis | -106.8 | -173.7 | 7.4 | 43 | -35.1 | 0 | 0 | 0 | 114.3 | | |
| 279 | A | 32.5 | Very low | 34.5 | Very low | 96 Ų | 96 | 138 Ų | 138 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | | | trans | -142.5 | 149.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 280 | I | 30.5 | Very low | 34.8 | Very low | 170 Ų | 170 | 134.6 Ų | 134.6 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | | | trans | -148 | 152.7 | 175.1 | 48.8 | 173.1 | 0 | 0 | 0 | 112.1 | | |
| 281 | S | 29.4 | Very low | 35.4 | Very low | 110 Ų | 110 | 131.2 Ų | 131.2 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | trans | -85.4 | 177.7 | 175 | -47.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 282 | P | 38.8 | Very low | 35.6 | Very low | 128 Ų | 128 | 132.6 Ų | 132.6 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | | | | -143.9 | 178.7 | 90.6 | 39.8 | -24.7 | 0 | 0 | 0 | 115.7 | | |
| 283 | Q | 31.1 | Very low | 36.2 | Very low | 178 Ų | 178 | 132.9 Ų | 132.9 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | trans | -106.9 | 170.5 | 164.9 | -83.5 | -98.3 | -46.9 | 0 | 0 | 109.6 | | |
| 284 | S | 34.4 | Very low | 36.3 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | trans | 70 | 150.6 | 171 | 77.5 | 0 | 0 | 0 | 0 | 116.9 | | |
| 285 | S | 35.4 | Very low | 37.5 | Very low | 95 Ų | 95 | 135.4 Ų | 135.4 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | | | cis | -173.5 | 142.2 | -22.2 | 49.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 286 | V | 31.6 | Very low | 38.1 | Very low | 127 Ų | 127 | 131.7 Ų | 131.7 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | | | trans | 51.2 | 143.9 | 154.3 | -53.9 | 0 | 0 | 0 | 0 | 122.1 | | |
| 287 | D | 31.3 | Very low | 38.9 | Very low | 136 Ų | 136 | 132.7 Ų | 132.7 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | 62.2 | 152.8 | 146.4 | -97.2 | -106.2 | 0 | 0 | 0 | 121.4 | | |
| 288 | S | 42.8 | Very low | 38.6 | Very low | 91 Ų | 91 | 134.5 Ų | 134.5 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | | | cis | -135.9 | 139.5 | -5.5 | -53.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 289 | E | 40.8 | Very low | 38.5 | Very low | 165 Ų | 165 | 134 Ų | 134 | 77% | 0.771 | 77% | 0.774 | S | S | * | * | | | | 59.3 | 142.4 | 101.6 | -56.4 | -140.5 | 107.5 | 0 | 0 | 120 | | |
| 290 | L | 37.5 | Very low | 39.2 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | | | trans | 68.7 | 126.9 | 166.3 | -39.1 | -175.2 | 0 | 0 | 0 | 116.2 | | |
| 291 | S | 39.7 | Very low | 39.9 | Very low | 97 Ų | 97 | 131.3 Ų | 131.3 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | | | cis | -160.9 | 132.7 | 42.4 | -53.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 292 | T | 34.7 | Very low | 40.6 | Very low | 132 Ų | 132 | 130.4 Ų | 130.4 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | | | | 52.3 | 104.2 | 128.2 | 67.9 | 0 | 0 | 0 | 0 | 123 | | |
| 293 | S | 41.8 | Very low | 41.1 | Very low | 105 Ų | 105 | 129.1 Ų | 129.1 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | | | trans | 178 | 153.9 | 131.6 | 40.1 | 0 | 0 | 0 | 0 | 107.9 | | |
| 294 | E | 36.1 | Very low | 41.9 | Very low | 186 Ų | 186 | 126.2 Ų | 126.2 | 87% | 0.869 | 75% | 0.748 | S | S | * | * | | | cis | -148.2 | -167.2 | -17.7 | 50.8 | -150.5 | 97 | 0 | 0 | 109.1 | | |
| 295 | M | 54.9 | Low | 42.5 | Very low | 153 Ų | 153 | 125.8 Ų | 125.8 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | | | trans | -100.4 | 124.6 | -164.8 | 177.3 | 166.2 | 59.2 | 0 | 0 | 112.8 | E297 | M295-E297 HydrophobicContact CG-CG 3.92Å; M295-E297 HydrophobicContact SD-CG 4.14Å |
| 296 | D | 43.3 | Very low | 43.2 | Very low | 164 Ų | 164 | 128.4 Ų | 128.4 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | | | trans | -131.5 | 105.8 | 164 | -97.3 | -49.4 | 0 | 0 | 0 | 109.9 | D298 | D296-D298 PolarHBondContact O-N 3.28Š|
| 297 | E | 52.8 | Low | 44.1 | Very low | 171 Ų | 171 | 130.8 Ų | 130.8 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | | | trans | -90.3 | 60.4 | -176.3 | -73.4 | -90 | 121.6 | 0 | 0 | 111.7 | M295 | M295-E297 HydrophobicContact CG-CG 3.92Å; M295-E297 HydrophobicContact SD-CG 4.14Å |
| 298 | D | 46.1 | Very low | 45.4 | Very low | 145 Ų | 145 | 127.7 Ų | 127.7 | 78% | 0.775 | 72% | 0.721 | S | S | * | * | | | trans | -162.3 | 98 | 166 | -121.6 | -27.5 | 0 | 0 | 0 | 115 | D296 | D296-D298 PolarHBondContact O-N 3.28Š|
| 299 | S | 43.8 | Very low | 46.3 | Very low | 107 Ų | 107 | 129.3 Ų | 129.3 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | | | trans | -169.1 | 62.8 | 163.2 | -90.9 | 0 | 0 | 0 | 0 | 114.1 | G301 | S299-G301 PolarHBondContact O-N 2.85Š|
| 300 | V | 46.2 | Very low | 47.5 | Very low | 156 Ų | 156 | 126 Ų | 126 | 95% | 0.945 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 26 | 173.4 | -65.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 301 | G | 45.8 | Very low | 49.1 | Very low | 54 Ų | 54 | 123.9 Ų | 123.9 | 56% | 0.557 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.9 | -12.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | S299 S303 | S299-G301 PolarHBondContact O-N 2.85Å; G301-S303 VanDerWaalsContact C-N 3.26Å; G301-S303 PolarHBondContact O-N 3.16Å |
| 302 | S | 44.1 | Very low | 50.8 | Low | 90 Ų | 90 | 123.1 Ų | 123.1 | 63% | 0.629 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 36.1 | -164.6 | -142.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 303 | S | 48.8 | Very low | 52.7 | Low | 101 Ų | 101 | 120.1 Ų | 120.1 | 71% | 0.706 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | 0.3 | 179.1 | -157.7 | 0 | 0 | 0 | 0 | 113.9 | G301 | G301-S303 VanDerWaalsContact C-N 3.26Å; G301-S303 PolarHBondContact O-N 3.16Å |
| 304 | T | 48.8 | Very low | 54.5 | Low | 117 Ų | 117 | 118.6 Ų | 118.6 | 72% | 0.718 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -131.3 | 19.9 | -171.7 | 47.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 305 | T | 46.9 | Very low | 56.2 | Low | 102 Ų | 102 | 114.9 Ų | 114.9 | 63% | 0.626 | 64% | 0.642 | S | S | * | * | | | trans | -92.4 | -2.3 | -177.3 | 45.8 | 0 | 0 | 0 | 0 | 114.5 | K307 | T305-K307 VanDerWaalsContact C-N 3.34Å; T305-K307 PolarHBondContact O-N 3.48Å |
| 306 | Y | 49.6 | Very low | 57.2 | Low | 151 Ų | 151 | 111 Ų | 111 | 59% | 0.592 | 62% | 0.624 | S | S | * | * | | | trans | -72.9 | 90.9 | 160.5 | 67.9 | -83.9 | 0 | 0 | 0 | 109 | L308 M317 | Y306-L308 HydrophobicContact CD2-CD2 3.88Å; Y306-L308 HydrophobicContact CD2-CG 4.08Å; Y306-L308 HydrophobicContact CE2-CD1 4.35Å; Y306-L308 HydrophobicContact CE2-CD2 3.97Å; Y306-L308 HydrophobicContact CE2-CG 4.1Å; Y306-L308 PolarHBondContact O-N 3.27Å; Y306-L308 VanDerWaalsContact O-N 3.1Å; Y306-M317 HydrophobicContact CE2-CE 4.19Å; Y306-M317 HydrophobicContact CE2-SD 4.09Å |
| 307 | K | 50.3 | Low | 58.8 | Low | 176 Ų | 176 | 107 Ų | 107 | 77% | 0.765 | 60% | 0.6 | S | S | * | * | | | trans | -65.1 | 111.8 | 168.8 | -85.7 | -173.9 | 172.1 | -178.4 | 0 | 108.5 | T305 N309 | T305-K307 VanDerWaalsContact C-N 3.34Å; T305-K307 PolarHBondContact O-N 3.48Å; K307-N309 PolarHBondContact O-N 2.74Å |
| 308 | L | 58.3 | Low | 59.8 | Low | 71 Ų | 71 | 101.3 Ų | 101.3 | 37% | 0.372 | 58% | 0.583 | S | S | . | * | | | trans | -67.5 | 67.7 | 166.2 | -61.1 | 168.3 | 0 | 0 | 0 | 109.4 | Y306 D313 V314 M317 | Y306-L308 HydrophobicContact CD2-CD2 3.88Å; Y306-L308 HydrophobicContact CD2-CG 4.08Å; Y306-L308 HydrophobicContact CE2-CD1 4.35Å; Y306-L308 HydrophobicContact CE2-CD2 3.97Å; Y306-L308 HydrophobicContact CE2-CG 4.1Å; Y306-L308 PolarHBondContact O-N 3.27Å; Y306-L308 VanDerWaalsContact O-N 3.1Å; L308-D313 HydrophobicContact CD2-CB 3.62Å; L308-V314 HydrophobicContact CB-CG2 4.01Å; L308-V314 HydrophobicContact CD1-CG2 4.45Å; L308-M317 HydrophobicContact CD1-CE 3.5Å; L308-M317 HydrophobicContact CD2-CE 3.87Å; L308-M317 HydrophobicContact CD2-SD 4.43Å; L308-M317 HydrophobicContact CG-CE 4.3Å |
| 309 | N | 62.7 | Low | 60.8 | Low | 126 Ų | 126 | 100.7 Ų | 100.7 | 67% | 0.674 | 57% | 0.57 | S | S | * | * | | | trans | -78 | -29.9 | -173.6 | -165.5 | 93.4 | 0 | 0 | 0 | 111.2 | K307 | K307-N309 PolarHBondContact O-N 2.74Š|
| 310 | D | 65.4 | Low | 62.2 | Low | 96 Ų | 96 | 101.4 Ų | 101.4 | 51% | 0.513 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -106.6 | 135.6 | -178 | -63.1 | -12.9 | 0 | 0 | 0 | 110.3 | T312 D313 | D310-T312 PolarHBondContact O-N 3.25Å; D310-D313 PolarHBondContact O-N 3.1Å |
| 311 | V | 72.3 | Confident | 63.2 | Low | 101 Ų | 101 | 99.9 Ų | 99.9 | 61% | 0.612 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -56.5 | -25.6 | 178.9 | -179.6 | 0 | 0 | 0 | 0 | 111.5 | D313 V314 Q315 | V311-D313 PolarHBondContact O-N 3.36Å; V311-V314 PolarHBondContact O-N 2.7Å; V311-Q315 HydrophobicContact CG1-CG 4.26Å; V311-Q315 WeakPolarHBondContact O-CB 3.47Å; V311-Q315 VanDerWaalsContact O-CG 3.3Å; V311-Q315 WeakPolarHBondContact O-CG 3.31Å; V311-Q315 PolarHBondContact O-N 2.83Å |
| 312 | T | 73.7 | Confident | 63.8 | Low | 81 Ų | 81 | 102.6 Ų | 102.6 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -56.9 | -43.6 | 174.3 | -39.9 | 0 | 0 | 0 | 0 | 112.9 | D310 Q315 I316 | D310-T312 PolarHBondContact O-N 3.25Å; T312-Q315 CarbonylContact O-C 3.6Å; T312-Q315 WeakPolarHBondContact O-CB 3.38Å; T312-Q315 PolarHBondContact O-N 3.15Å; T312-I316 HydrophobicContact CG2-CD1 4.07Å; T312-I316 VanDerWaalsContact O-CG1 3.27Å; T312-I316 WeakPolarHBondContact O-CG1 3.49Å; T312-I316 PolarHBondContact O-N 2.82Å |
| 313 | D | 75.8 | Confident | 64.1 | Low | 69 Ų | 69 | 103.9 Ų | 103.9 | 37% | 0.369 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -72.6 | -37.7 | -178.7 | -66.9 | -19.7 | 0 | 0 | 0 | 111 | L308 D310 V311 Q315 I316 M317 | L308-D313 HydrophobicContact CD2-CB 3.62Å; D310-D313 PolarHBondContact O-N 3.1Å; V311-D313 PolarHBondContact O-N 3.36Å; D313-Q315 VanDerWaalsContact C-N 3.29Å; D313-Q315 PolarHBondContact O-N 3.15Å; D313-I316 PolarHBondContact O-N 3.49Å; D313-M317 WeakPolarHBondContact O-CG 3.25Å; D313-M317 PolarHBondContact O-N 3.42Å |
| 314 | V | 78.8 | Confident | 64.4 | Low | 73 Ų | 73 | 102.3 Ų | 102.3 | 44% | 0.442 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61 | -40.4 | 171.1 | -175.5 | 0 | 0 | 0 | 0 | 110.3 | L308 V311 A318 | L308-V314 HydrophobicContact CB-CG2 4.01Å; L308-V314 HydrophobicContact CD1-CG2 4.45Å; V311-V314 PolarHBondContact O-N 2.7Å; V314-A318 WeakPolarHBondContact O-CB 3.43Å; V314-A318 PolarHBondContact O-N 3.19Å |
| 315 | Q | 73.1 | Confident | 64.5 | Low | 108 Ų | 108 | 100.4 Ų | 100.4 | 51% | 0.505 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.5 | -34.2 | 174.9 | -75 | 175.5 | 2.6 | 0 | 0 | 113.3 | V311 T312 D313 R319 | V311-Q315 HydrophobicContact CG1-CG 4.26Å; V311-Q315 WeakPolarHBondContact O-CB 3.47Å; V311-Q315 VanDerWaalsContact O-CG 3.3Å; V311-Q315 WeakPolarHBondContact O-CG 3.31Å; V311-Q315 PolarHBondContact O-N 2.83Å; T312-Q315 CarbonylContact O-C 3.6Å; T312-Q315 WeakPolarHBondContact O-CB 3.38Å; T312-Q315 PolarHBondContact O-N 3.15Å; D313-Q315 VanDerWaalsContact C-N 3.29Å; D313-Q315 PolarHBondContact O-N 3.15Å; Q315-R319 VanDerWaalsContact O-CB 3.23Å; Q315-R319 WeakPolarHBondContact O-CB 3.42Å; Q315-R319 PolarHBondContact O-N 3.37Å |
| 316 | I | 75.7 | Confident | 64.8 | Low | 73 Ų | 73 | 99.1 Ų | 99.1 | 37% | 0.374 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.3 | -46.4 | 175.9 | -71.9 | 162.9 | 0 | 0 | 0 | 110.1 | T312 D313 R319 M320 | T312-I316 HydrophobicContact CG2-CD1 4.07Å; T312-I316 VanDerWaalsContact O-CG1 3.27Å; T312-I316 WeakPolarHBondContact O-CG1 3.49Å; T312-I316 PolarHBondContact O-N 2.82Å; D313-I316 PolarHBondContact O-N 3.49Å; I316-R319 PolarHBondContact O-N 3.12Å; I316-M320 HydrophobicContact CG2-SD 4.22Å; I316-M320 WeakPolarHBondContact O-CG 3.23Å; I316-M320 PolarHBondContact O-N 3.45Å |
| 317 | M | 76.6 | Confident | 65 | Low | 78 Ų | 78 | 95.6 Ų | 95.6 | 38% | 0.384 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.7 | -38.9 | 174.9 | -65.8 | -148.9 | -49.3 | 0 | 0 | 112.1 | Y306 L308 D313 R319 M320 Q321 | Y306-M317 HydrophobicContact CE2-CE 4.19Å; Y306-M317 HydrophobicContact CE2-SD 4.09Å; L308-M317 HydrophobicContact CD1-CE 3.5Å; L308-M317 HydrophobicContact CD2-CE 3.87Å; L308-M317 HydrophobicContact CD2-SD 4.43Å; L308-M317 HydrophobicContact CG-CE 4.3Å; D313-M317 WeakPolarHBondContact O-CG 3.25Å; D313-M317 PolarHBondContact O-N 3.42Å; M317-R319 VanDerWaalsContact C-N 3.34Å; M317-R319 PolarHBondContact O-N 3.28Å; M317-M320 PolarHBondContact O-N 3.24Å; M317-Q321 WeakPolarHBondContact O-CB 3.34Å; M317-Q321 PolarHBondContact O-N 2.82Å |
| 318 | A | 73.3 | Confident | 65 | Low | 53 Ų | 53 | 92.5 Ų | 92.5 | 44% | 0.438 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V314 Q321 E322 | V314-A318 WeakPolarHBondContact O-CB 3.43Å; V314-A318 PolarHBondContact O-N 3.19Å; A318-Q321 WeakPolarHBondContact O-CB 3.36Å; A318-Q321 PolarHBondContact O-N 2.86Å; A318-E322 VanDerWaalsContact O-CB 3.3Å; A318-E322 WeakPolarHBondContact O-CB 3.36Å; A318-E322 PolarHBondContact O-N 2.84Å |
| 319 | R | 68.1 | Low | 64.8 | Low | 132 Ų | 132 | 96.7 Ų | 96.7 | 50% | 0.498 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 173.3 | -172.9 | -177.7 | -57.9 | 136.7 | 7.6 | 111.7 | Q315 I316 M317 E322 E323 | Q315-R319 VanDerWaalsContact O-CB 3.23Å; Q315-R319 WeakPolarHBondContact O-CB 3.42Å; Q315-R319 PolarHBondContact O-N 3.37Å; I316-R319 PolarHBondContact O-N 3.12Å; M317-R319 VanDerWaalsContact C-N 3.34Å; M317-R319 PolarHBondContact O-N 3.28Å; R319-E322 PolarHBondContact O-N 2.88Å; R319-E323 HydrophobicContact CG-CG 4.11Å; R319-E323 VanDerWaalsContact O-CB 3.28Å; R319-E323 WeakPolarHBondContact O-CB 3.43Å; R319-E323 WeakPolarHBondContact O-CG 3.27Å; R319-E323 PolarHBondContact O-N 2.98Å |
| 320 | M | 72.1 | Confident | 64.5 | Low | 122 Ų | 122 | 97.5 Ų | 97.5 | 60% | 0.601 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.6 | -38.3 | 174.9 | -74.2 | 172.2 | 54.4 | 0 | 0 | 112.5 | I316 M317 E322 S324 | I316-M320 HydrophobicContact CG2-SD 4.22Å; I316-M320 WeakPolarHBondContact O-CG 3.23Å; I316-M320 PolarHBondContact O-N 3.45Å; M317-M320 PolarHBondContact O-N 3.24Å; M320-E322 VanDerWaalsContact C-N 3.33Å; M320-S324 WeakPolarHBondContact O-CB 3.47Å; M320-S324 PolarHBondContact O-N 3.45Å; M320-S324 PolarHBondContact O-OG 2.86Å |
| 321 | Q | 66.8 | Low | 63.9 | Low | 123 Ų | 123 | 100.6 Ų | 100.6 | 58% | 0.575 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.1 | -39.7 | 172.9 | -167.3 | 84.6 | 9.7 | 0 | 0 | 110.7 | M317 A318 S324 M325 | M317-Q321 WeakPolarHBondContact O-CB 3.34Å; M317-Q321 PolarHBondContact O-N 2.82Å; A318-Q321 WeakPolarHBondContact O-CB 3.36Å; A318-Q321 PolarHBondContact O-N 2.86Å; Q321-S324 PolarHBondContact O-OG 3.49Å; Q321-S324 VanDerWaalsContact O-OG 3.1Å; Q321-M325 WeakPolarHBondContact O-CB 3.06Å; Q321-M325 WeakPolarHBondContact O-CG 3.21Å; Q321-M325 PolarHBondContact O-N 3.23Å; Q321-M325 VanDerWaalsContact O-N 3.15Å |
| 322 | E | 58.8 | Low | 63.1 | Low | 112 Ų | 112 | 99 Ų | 99 | 52% | 0.523 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -75.3 | -43.7 | 178.9 | -170 | 159.4 | -133.1 | 0 | 0 | 112.1 | A318 R319 M320 S324 M325 L326 | A318-E322 VanDerWaalsContact O-CB 3.3Å; A318-E322 WeakPolarHBondContact O-CB 3.36Å; A318-E322 PolarHBondContact O-N 2.84Å; R319-E322 PolarHBondContact O-N 2.88Å; M320-E322 VanDerWaalsContact C-N 3.33Å; E322-S324 VanDerWaalsContact C-N 3.29Å; E322-S324 PolarHBondContact O-N 3.4Å; E322-M325 CarbonylContact O-C 3.56Å; E322-M325 PolarHBondContact O-N 2.74Å; E322-M325 VanDerWaalsContact O-N 3.12Å; E322-L326 HydrophobicContact CG-CD1 3.99Å; E322-L326 HydrophobicContact CG-CG 4.16Å; E322-L326 VanDerWaalsContact O-CB 3.29Å; E322-L326 WeakPolarHBondContact O-CB 3.3Å; E322-L326 WeakPolarHBondContact O-CG 3.5Å; E322-L326 PolarHBondContact O-N 3.38Å |
| 323 | E | 50.5 | Low | 62.2 | Low | 117 Ų | 117 | 100.4 Ų | 100.4 | 55% | 0.547 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -70.4 | -19.4 | 177.1 | -72.6 | 179.6 | 168.5 | 0 | 0 | 113.5 | R319 L326 P327 | R319-E323 HydrophobicContact CG-CG 4.11Å; R319-E323 VanDerWaalsContact O-CB 3.28Å; R319-E323 WeakPolarHBondContact O-CB 3.43Å; R319-E323 WeakPolarHBondContact O-CG 3.27Å; R319-E323 PolarHBondContact O-N 2.98Å; E323-L326 HydrophobicContact CG-CD1 4.45Å; E323-P327 WeakPolarHBondContact O-CD 3.45Å; E323-P327 WeakPolarHBondContact O-CG 3.32Å |
| 324 | S | 56.2 | Low | 61.1 | Low | 68 Ų | 68 | 101.1 Ų | 101.1 | 48% | 0.476 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -84.8 | -29.2 | 167.2 | 53.8 | 0 | 0 | 0 | 0 | 113 | M320 Q321 E322 | M320-S324 WeakPolarHBondContact O-CB 3.47Å; M320-S324 PolarHBondContact O-N 3.45Å; M320-S324 PolarHBondContact O-OG 2.86Å; Q321-S324 PolarHBondContact O-OG 3.49Å; Q321-S324 VanDerWaalsContact O-OG 3.1Å; E322-S324 VanDerWaalsContact C-N 3.29Å; E322-S324 PolarHBondContact O-N 3.4Å |
| 325 | M | 50.3 | Low | 59.6 | Low | 76 Ų | 76 | 98.9 Ų | 98.9 | 37% | 0.374 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -79.7 | -28.6 | 172.9 | -71.8 | -82 | 179.9 | 0 | 0 | 113.5 | Q321 E322 Q328 R329 | Q321-M325 WeakPolarHBondContact O-CB 3.06Å; Q321-M325 WeakPolarHBondContact O-CG 3.21Å; Q321-M325 PolarHBondContact O-N 3.23Å; Q321-M325 VanDerWaalsContact O-N 3.15Å; E322-M325 CarbonylContact O-C 3.56Å; E322-M325 PolarHBondContact O-N 2.74Å; E322-M325 VanDerWaalsContact O-N 3.12Å; M325-Q328 PolarHBondContact O-N 3.47Å; M325-R329 WeakPolarHBondContact O-CB 3.11Å; M325-R329 WeakPolarHBondContact O-CG 3.47Å; M325-R329 PolarHBondContact O-N 3.09Å |
| 326 | L | 52.7 | Low | 58.7 | Low | 75 Ų | 75 | 97 Ų | 97 | 39% | 0.393 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | -176 | -87 | 167.2 | 0 | 0 | 0 | 113.2 | E322 E323 Q328 R329 F330 | E322-L326 HydrophobicContact CG-CD1 3.99Å; E322-L326 HydrophobicContact CG-CG 4.16Å; E322-L326 VanDerWaalsContact O-CB 3.29Å; E322-L326 WeakPolarHBondContact O-CB 3.3Å; E322-L326 WeakPolarHBondContact O-CG 3.5Å; E322-L326 PolarHBondContact O-N 3.38Å; E323-L326 HydrophobicContact CG-CD1 4.45Å; L326-Q328 VanDerWaalsContact C-N 3.32Å; L326-Q328 PolarHBondContact O-N 2.7Å; L326-R329 PolarHBondContact O-N 2.86Å; L326-F330 PolarHBondContact O-N 3.39Å |
| 327 | P | 54.5 | Low | 57.4 | Low | 78 Ų | 78 | 99 Ų | 99 | 51% | 0.506 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -56.3 | -44.6 | 171.2 | -27.1 | 34.9 | 0 | 0 | 0 | 112.3 | E323 Y331 | E323-P327 WeakPolarHBondContact O-CD 3.45Å; E323-P327 WeakPolarHBondContact O-CG 3.32Å; P327-Y331 WeakPolarHBondContact O-CB 3.35Å; P327-Y331 PolarHBondContact O-N 3.06Å |
| 328 | Q | 49 | Very low | 56.2 | Low | 110 Ų | 110 | 99.7 Ų | 99.7 | 51% | 0.514 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.3 | -44.5 | 178.1 | -63.6 | -174.7 | -1.4 | 0 | 0 | 111.6 | M325 L326 Y331 L332 | M325-Q328 PolarHBondContact O-N 3.47Å; L326-Q328 VanDerWaalsContact C-N 3.32Å; L326-Q328 PolarHBondContact O-N 2.7Å; Q328-Y331 PolarHBondContact O-N 3.36Å; Q328-L332 WeakPolarHBondContact O-CB 3.37Å; Q328-L332 VanDerWaalsContact O-CG 3.25Å; Q328-L332 WeakPolarHBondContact O-CG 3.42Å; Q328-L332 PolarHBondContact O-N 2.92Å |
| 329 | R | 55.2 | Low | 54.9 | Low | 160 Ų | 160 | 100.7 Ų | 100.7 | 60% | 0.604 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64 | -41.4 | 178 | -77.6 | 179 | 163.9 | 174.4 | -5.1 | 112.5 | M325 L326 Q333 | M325-R329 WeakPolarHBondContact O-CB 3.11Å; M325-R329 WeakPolarHBondContact O-CG 3.47Å; M325-R329 PolarHBondContact O-N 3.09Å; L326-R329 PolarHBondContact O-N 2.86Å; R329-Q333 WeakPolarHBondContact O-CB 3.4Å; R329-Q333 PolarHBondContact O-N 2.93Å |
| 330 | F | 55.4 | Low | 54 | Low | 142 Ų | 142 | 98.6 Ų | 98.6 | 62% | 0.623 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.2 | -40 | 174 | -110 | -88.4 | 0 | 0 | 0 | 112.3 | L326 L334 | L326-F330 PolarHBondContact O-N 3.39Å; F330-L334 HydrophobicContact CD1-CD1 4.23Å; F330-L334 WeakPolarHBondContact O-CB 3.38Å; F330-L334 VanDerWaalsContact O-CG 3.26Å; F330-L334 WeakPolarHBondContact O-CG 3.3Å; F330-L334 PolarHBondContact O-N 3Å |
| 331 | Y | 53.1 | Low | 53 | Low | 161 Ų | 161 | 97.9 Ų | 97.9 | 63% | 0.631 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.9 | -45 | 175.7 | -123.5 | -92.9 | 0 | 0 | 0 | 112 | P327 Q328 L334 C335 | P327-Y331 WeakPolarHBondContact O-CB 3.35Å; P327-Y331 PolarHBondContact O-N 3.06Å; Q328-Y331 PolarHBondContact O-N 3.36Å; Y331-L334 PolarHBondContact O-N 3.44Å; Y331-C335 WeakPolarHBondContact O-CB 3.47Å; Y331-C335 PolarHBondContact O-N 3.2Å; Y331-C335 PolarHBondContact O-SG 2.88Å; Y331-C335 VanDerWaalsContact O-SG 3.39Å |
| 332 | L | 56.2 | Low | 51.8 | Low | 68 Ų | 68 | 100.5 Ų | 100.5 | 36% | 0.356 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 179.2 | -71.2 | 168.7 | 0 | 0 | 0 | 112 | Q328 S336 F344 | Q328-L332 WeakPolarHBondContact O-CB 3.37Å; Q328-L332 VanDerWaalsContact O-CG 3.25Å; Q328-L332 WeakPolarHBondContact O-CG 3.42Å; Q328-L332 PolarHBondContact O-N 2.92Å; L332-S336 WeakPolarHBondContact O-CB 3.38Å; L332-S336 PolarHBondContact O-N 3.04Å; L332-S336 PolarHBondContact O-OG 3.44Å; L332-F344 HydrophobicContact CD2-CE2 3.83Å; L332-F344 HydrophobicContact CD2-CZ 3.86Å |
| 333 | Q | 53.5 | Low | 51.2 | Low | 111 Ų | 111 | 96.8 Ų | 96.8 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -52.1 | 172.7 | -172.9 | 62.8 | 51.7 | 0 | 0 | 111.2 | R329 C335 S336 D337 | R329-Q333 WeakPolarHBondContact O-CB 3.4Å; R329-Q333 PolarHBondContact O-N 2.93Å; Q333-C335 VanDerWaalsContact C-N 3.29Å; Q333-C335 PolarHBondContact O-N 2.93Å; Q333-S336 PolarHBondContact O-N 3.25Å; Q333-S336 VanDerWaalsContact O-N 3.08Å; Q333-D337 PolarHBondContact NE2-OD1 3.01Å; Q333-D337 PolarHBondContact NE2-OD2 2.76Å; Q333-D337 PolarHBondContact O-N 3.23Å; Q333-D337 VanDerWaalsContact O-N 3.13Å |
| 334 | L | 53.4 | Low | 51.3 | Low | 84 Ų | 84 | 94.3 Ų | 94.3 | 44% | 0.44 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.5 | -29.4 | -179.6 | -71.7 | 170.1 | 0 | 0 | 0 | 113.6 | F330 Y331 V338 | F330-L334 HydrophobicContact CD1-CD1 4.23Å; F330-L334 WeakPolarHBondContact O-CB 3.38Å; F330-L334 VanDerWaalsContact O-CG 3.26Å; F330-L334 WeakPolarHBondContact O-CG 3.3Å; F330-L334 PolarHBondContact O-N 3Å; Y331-L334 PolarHBondContact O-N 3.44Å; L334-V338 WeakPolarHBondContact O-CG2 3.44Å |
| 335 | C | 48 | Very low | 51.2 | Low | 25 Ų | 25 | 97.3 Ų | 97.3 | 17% | 0.169 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -74.8 | -37.5 | 171.2 | -76.4 | 0 | 0 | 0 | 0 | 112.3 | Y331 Q333 D337 V338 L339 | Y331-C335 WeakPolarHBondContact O-CB 3.47Å; Y331-C335 PolarHBondContact O-N 3.2Å; Y331-C335 PolarHBondContact O-SG 2.88Å; Y331-C335 VanDerWaalsContact O-SG 3.39Å; Q333-C335 VanDerWaalsContact C-N 3.29Å; Q333-C335 PolarHBondContact O-N 2.93Å; C335-D337 VanDerWaalsContact C-N 3.31Å; C335-D337 PolarHBondContact O-N 2.95Å; C335-V338 PolarHBondContact O-N 3.1Å; C335-L339 WeakPolarHBondContact O-CB 3.45Å; C335-L339 PolarHBondContact O-N 3.03Å |
| 336 | S | 54 | Low | 51.3 | Low | 69 Ų | 69 | 99.8 Ų | 99.8 | 48% | 0.483 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.3 | -35.8 | -179.9 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | L332 Q333 V338 | L332-S336 WeakPolarHBondContact O-CB 3.38Å; L332-S336 PolarHBondContact O-N 3.04Å; L332-S336 PolarHBondContact O-OG 3.44Å; Q333-S336 PolarHBondContact O-N 3.25Å; Q333-S336 VanDerWaalsContact O-N 3.08Å; S336-V338 VanDerWaalsContact C-N 3.29Å; S336-V338 PolarHBondContact O-N 3.02Å |
| 337 | D | 47.8 | Very low | 51.3 | Low | 114 Ų | 114 | 100.1 Ų | 100.1 | 61% | 0.61 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -2 | -179.7 | -63.6 | -34.8 | 0 | 0 | 0 | 114 | Q333 C335 | Q333-D337 PolarHBondContact NE2-OD1 3.01Å; Q333-D337 PolarHBondContact NE2-OD2 2.76Å; Q333-D337 PolarHBondContact O-N 3.23Å; Q333-D337 VanDerWaalsContact O-N 3.13Å; C335-D337 VanDerWaalsContact C-N 3.31Å; C335-D337 PolarHBondContact O-N 2.95Å |
| 338 | V | 52.1 | Low | 51.3 | Low | 94 Ų | 94 | 100.9 Ų | 100.9 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.6 | -23.3 | -169.3 | -175.6 | 0 | 0 | 0 | 0 | 115 | L334 C335 S336 | L334-V338 WeakPolarHBondContact O-CG2 3.44Å; C335-V338 PolarHBondContact O-N 3.1Å; S336-V338 VanDerWaalsContact C-N 3.29Å; S336-V338 PolarHBondContact O-N 3.02Å |
| 339 | L | 44.5 | Very low | 51.3 | Low | 74 Ų | 74 | 99.2 Ų | 99.2 | 39% | 0.387 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -110.4 | 134.6 | -173.4 | -121.3 | 66.6 | 0 | 0 | 0 | 112.9 | C335 A343 | C335-L339 WeakPolarHBondContact O-CB 3.45Å; C335-L339 PolarHBondContact O-N 3.03Å; L339-A343 HydrophobicContact CD2-CB 3.59Å; L339-A343 HydrophobicContact CG-CB 3.81Å |
| 340 | P | 48.9 | Very low | 51 | Low | 88 Ų | 88 | 96 Ų | 96 | 57% | 0.571 | 51% | 0.508 | S | S | * | . | | | trans | -64.8 | 147.4 | 172.6 | 27.5 | -34.5 | 0 | 0 | 0 | 111 | K342 A343 | P340-K342 PolarHBondContact O-N 3.48Å; P340-A343 PolarHBondContact O-N 2.87Å |
| 341 | P | 51.5 | Low | 51 | Low | 107 Ų | 107 | 93.9 Ų | 93.9 | 70% | 0.695 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.2 | -25.4 | -163.2 | 19 | -32.5 | 0 | 0 | 0 | 115.3 | A343 F344 M345 | P341-A343 VanDerWaalsContact C-N 3.34Å; P341-A343 PolarHBondContact O-N 3.38Å; P341-F344 PolarHBondContact O-N 3.31Å; P341-M345 PolarHBondContact O-N 3.27Å |
| 342 | K | 41.5 | Very low | 50.9 | Low | 177 Ų | 177 | 88.7 Ų | 88.7 | 77% | 0.77 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.6 | -36 | 174.7 | -64.6 | -171.7 | 176.9 | -173 | 0 | 112.8 | P340 L346 | P340-K342 PolarHBondContact O-N 3.48Å; K342-L346 PolarHBondContact O-N 3.45Å |
| 343 | A | 47.3 | Very low | 50.6 | Low | 34 Ų | 34 | 88 Ų | 88 | 28% | 0.281 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -76 | -32.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | L339 P340 P341 L346 H347 | L339-A343 HydrophobicContact CD2-CB 3.59Å; L339-A343 HydrophobicContact CG-CB 3.81Å; P340-A343 PolarHBondContact O-N 2.87Å; P341-A343 VanDerWaalsContact C-N 3.34Å; P341-A343 PolarHBondContact O-N 3.38Å; A343-L346 PolarHBondContact O-N 2.9Å; A343-H347 WeakPolarHBondContact O-CB 3.48Å; A343-H347 PolarHBondContact O-N 2.88Å |
| 344 | F | 52 | Low | 50.8 | Low | 66 Ų | 66 | 84 Ų | 84 | 29% | 0.289 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.1 | -47.6 | 174 | -176.2 | -91 | 0 | 0 | 0 | 111.5 | L332 P341 H347 H348 | L332-F344 HydrophobicContact CD2-CE2 3.83Å; L332-F344 HydrophobicContact CD2-CZ 3.86Å; P341-F344 PolarHBondContact O-N 3.31Å; F344-H347 PolarHBondContact O-N 2.78Å; F344-H348 WeakPolarHBondContact O-CB 3.32Å; F344-H348 PolarHBondContact O-N 2.83Å |
| 345 | M | 54 | Low | 50.7 | Low | 131 Ų | 131 | 84.4 Ų | 84.4 | 65% | 0.645 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.5 | -43.6 | 177.9 | -64.6 | -151 | -56.5 | 0 | 0 | 112.9 | P341 H347 H348 S349 | P341-M345 PolarHBondContact O-N 3.27Å; M345-H347 PolarHBondContact O-N 2.97Å; M345-H348 PolarHBondContact O-N 3.24Å; M345-S349 WeakPolarHBondContact O-CB 3.5Å; M345-S349 PolarHBondContact O-N 2.89Å; M345-S349 PolarHBondContact O-OG 2.75Å |
| 346 | L | 52.5 | Low | 50.9 | Low | 128 Ų | 128 | 92.9 Ų | 92.9 | 67% | 0.67 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.6 | -41.2 | 177.4 | -71.9 | 174.4 | 0 | 0 | 0 | 112.1 | K342 A343 C350 | K342-L346 PolarHBondContact O-N 3.45Å; A343-L346 PolarHBondContact O-N 2.9Å; L346-C350 VanDerWaalsContact O-CB 3.27Å; L346-C350 WeakPolarHBondContact O-CB 3.3Å; L346-C350 PolarHBondContact O-N 3.39Å |
| 347 | H | 53.3 | Low | 50.5 | Low | 82 Ų | 82 | 96.6 Ų | 96.6 | 38% | 0.38 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 174.5 | -169.1 | -96.9 | 0 | 0 | 0 | 111.5 | A343 F344 M345 C350 L351 | A343-H347 WeakPolarHBondContact O-CB 3.48Å; A343-H347 PolarHBondContact O-N 2.88Å; F344-H347 PolarHBondContact O-N 2.78Å; M345-H347 PolarHBondContact O-N 2.97Å; H347-C350 PolarHBondContact O-N 3.35Å; H347-L351 WeakPolarHBondContact O-CB 3.36Å; H347-L351 PolarHBondContact O-N 3.02Å |
| 348 | H | 52.9 | Low | 50.3 | Low | 94 Ų | 94 | 97.2 Ų | 97.2 | 44% | 0.435 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68 | -36.6 | 179.9 | -143.4 | -76.5 | 0 | 0 | 0 | 112.9 | F344 M345 S352 | F344-H348 WeakPolarHBondContact O-CB 3.32Å; F344-H348 PolarHBondContact O-N 2.83Å; M345-H348 PolarHBondContact O-N 3.24Å; H348-S352 VanDerWaalsContact O-CB 3.31Å; H348-S352 WeakPolarHBondContact O-CB 3.41Å; H348-S352 PolarHBondContact O-N 3.35Å; H348-S352 PolarHBondContact O-OG 3.28Å |
| 349 | S | 49.6 | Very low | 50 | Low | 75 Ų | 75 | 102 Ų | 102 | 52% | 0.524 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.6 | -42.3 | 171.6 | -67.6 | 0 | 0 | 0 | 0 | 111.9 | M345 S352 A353 | M345-S349 WeakPolarHBondContact O-CB 3.5Å; M345-S349 PolarHBondContact O-N 2.89Å; M345-S349 PolarHBondContact O-OG 2.75Å; S349-S352 PolarHBondContact O-OG 3.47Å; S349-A353 VanDerWaalsContact O-CB 3.24Å; S349-A353 WeakPolarHBondContact O-CB 3.33Å; S349-A353 PolarHBondContact O-N 2.92Å |
| 350 | C | 49.2 | Very low | 50 | Low | 92 Ų | 92 | 101.5 Ų | 101.5 | 62% | 0.622 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.6 | -44.2 | 176.3 | -170.4 | 0 | 0 | 0 | 0 | 111.8 | L346 H347 A353 G354 | L346-C350 VanDerWaalsContact O-CB 3.27Å; L346-C350 WeakPolarHBondContact O-CB 3.3Å; L346-C350 PolarHBondContact O-N 3.39Å; H347-C350 PolarHBondContact O-N 3.35Å; C350-A353 PolarHBondContact O-N 2.93Å; C350-G354 PolarHBondContact O-N 3.1Å |
| 351 | L | 55.8 | Low | 49.7 | Very low | 98 Ų | 98 | 99.4 Ų | 99.4 | 51% | 0.513 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.6 | -38 | 179.7 | -144.9 | 75.7 | 0 | 0 | 0 | 112.1 | H347 G354 L355 | H347-L351 WeakPolarHBondContact O-CB 3.36Å; H347-L351 PolarHBondContact O-N 3.02Å; L351-G354 PolarHBondContact O-N 2.96Å; L351-L355 WeakPolarHBondContact O-CB 3.39Å; L351-L355 VanDerWaalsContact O-CG 3.29Å; L351-L355 WeakPolarHBondContact O-CG 3.33Å; L351-L355 PolarHBondContact O-N 3.42Å |
| 352 | S | 50.7 | Low | 49.5 | Very low | 52 Ų | 52 | 98.3 Ų | 98.3 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -74.9 | -30.4 | 176.1 | 58.4 | 0 | 0 | 0 | 0 | 113.4 | H348 S349 R356 | H348-S352 VanDerWaalsContact O-CB 3.31Å; H348-S352 WeakPolarHBondContact O-CB 3.41Å; H348-S352 PolarHBondContact O-N 3.35Å; H348-S352 PolarHBondContact O-OG 3.28Å; S349-S352 PolarHBondContact O-OG 3.47Å; S352-R356 WeakPolarHBondContact O-CB 3.35Å; S352-R356 VanDerWaalsContact O-CG 3.27Å; S352-R356 WeakPolarHBondContact O-CG 3.35Å; S352-R356 PolarHBondContact O-N 2.89Å |
| 353 | A | 50.8 | Low | 49.2 | Very low | 52 Ų | 52 | 93 Ų | 93 | 43% | 0.43 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.6 | -46.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S349 C350 R356 Q357 | S349-A353 VanDerWaalsContact O-CB 3.24Å; S349-A353 WeakPolarHBondContact O-CB 3.33Å; S349-A353 PolarHBondContact O-N 2.92Å; C350-A353 PolarHBondContact O-N 2.93Å; A353-R356 PolarHBondContact O-N 2.96Å; A353-Q357 WeakPolarHBondContact O-CB 3.32Å; A353-Q357 PolarHBondContact O-N 3.35Å |
| 354 | G | 56.4 | Low | 49 | Very low | 28 Ų | 28 | 95.1 Ų | 95.1 | 29% | 0.289 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -56.6 | -52 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | C350 L351 R356 Q357 E358 | C350-G354 PolarHBondContact O-N 3.1Å; L351-G354 PolarHBondContact O-N 2.96Å; G354-R356 VanDerWaalsContact C-N 3.34Å; G354-R356 PolarHBondContact O-N 3.48Å; G354-Q357 CarbonylContact O-C 3.5Å; G354-Q357 PolarHBondContact O-N 3.29Å; G354-Q357 VanDerWaalsContact O-N 3.12Å; G354-E358 WeakPolarHBondContact O-CB 3.36Å; G354-E358 WeakPolarHBondContact O-CG 3.49Å; G354-E358 PolarHBondContact O-N 2.94Å |
| 355 | L | 52.4 | Low | 48.6 | Very low | 93 Ų | 93 | 101.6 Ų | 101.6 | 49% | 0.487 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61 | -37.9 | 176.6 | -74.2 | 168.7 | 0 | 0 | 0 | 112.9 | L351 Y359 | L351-L355 WeakPolarHBondContact O-CB 3.39Å; L351-L355 VanDerWaalsContact O-CG 3.29Å; L351-L355 WeakPolarHBondContact O-CG 3.33Å; L351-L355 PolarHBondContact O-N 3.42Å; L355-Y359 WeakPolarHBondContact O-CB 3.25Å; L355-Y359 PolarHBondContact O-N 2.96Å |
| 356 | R | 51 | Low | 48.1 | Very low | 202 Ų | 202 | 106 Ų | 106 | 76% | 0.762 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.3 | -40.9 | 173.4 | -80.5 | 172.7 | 170.3 | -95.7 | 0.3 | 112.1 | S352 A353 G354 Y359 A360 | S352-R356 WeakPolarHBondContact O-CB 3.35Å; S352-R356 VanDerWaalsContact O-CG 3.27Å; S352-R356 WeakPolarHBondContact O-CG 3.35Å; S352-R356 PolarHBondContact O-N 2.89Å; A353-R356 PolarHBondContact O-N 2.96Å; G354-R356 VanDerWaalsContact C-N 3.34Å; G354-R356 PolarHBondContact O-N 3.48Å; R356-Y359 PolarHBondContact O-N 3.26Å; R356-A360 PolarHBondContact O-N 2.91Å |
| 357 | Q | 46.9 | Very low | 47.5 | Very low | 148 Ų | 148 | 104.9 Ų | 104.9 | 69% | 0.692 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -72.5 | -34.9 | 179.4 | -169 | 149.1 | 7.5 | 0 | 0 | 112.1 | A353 G354 A360 A361 | A353-Q357 WeakPolarHBondContact O-CB 3.32Å; A353-Q357 PolarHBondContact O-N 3.35Å; G354-Q357 CarbonylContact O-C 3.5Å; G354-Q357 PolarHBondContact O-N 3.29Å; G354-Q357 VanDerWaalsContact O-N 3.12Å; Q357-A360 PolarHBondContact O-N 3.43Å; Q357-A361 VanDerWaalsContact O-CB 3.29Å; Q357-A361 WeakPolarHBondContact O-CB 3.38Å; Q357-A361 PolarHBondContact O-N 2.85Å |
| 358 | E | 42.5 | Very low | 46.5 | Very low | 126 Ų | 126 | 105.6 Ų | 105.6 | 59% | 0.589 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69.8 | -36.9 | 171.2 | -74.7 | -179.4 | -167.9 | 0 | 0 | 112.3 | G354 A361 T362 | G354-E358 WeakPolarHBondContact O-CB 3.36Å; G354-E358 WeakPolarHBondContact O-CG 3.49Å; G354-E358 PolarHBondContact O-N 2.94Å; E358-A361 PolarHBondContact O-N 3.31Å; E358-T362 WeakPolarHBondContact O-CB 3.35Å; E358-T362 PolarHBondContact O-N 2.89Å; E358-T362 PolarHBondContact O-OG1 2.95Å |
| 359 | Y | 46.2 | Very low | 45.6 | Very low | 194 Ų | 194 | 104.4 Ų | 104.4 | 76% | 0.761 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.7 | -42.8 | 173.1 | -137.4 | -97.6 | 0 | 0 | 0 | 111.2 | L355 R356 T362 A363 | L355-Y359 WeakPolarHBondContact O-CB 3.25Å; L355-Y359 PolarHBondContact O-N 2.96Å; R356-Y359 PolarHBondContact O-N 3.26Å; Y359-T362 PolarHBondContact O-N 3.17Å; Y359-A363 WeakPolarHBondContact O-CB 3.3Å; Y359-A363 PolarHBondContact O-N 3.13Å |
| 360 | A | 44.8 | Very low | 44.9 | Very low | 64 Ų | 64 | 106.8 Ų | 106.8 | 53% | 0.529 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.1 | -43.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R356 Q357 T362 A363 S364 | R356-A360 PolarHBondContact O-N 2.91Å; Q357-A360 PolarHBondContact O-N 3.43Å; A360-T362 VanDerWaalsContact C-N 3.35Å; A360-T362 PolarHBondContact O-N 3.08Å; A360-A363 PolarHBondContact O-N 3.26Å; A360-S364 WeakPolarHBondContact O-CB 3.28Å; A360-S364 PolarHBondContact O-N 3.32Å |
| 361 | A | 43.1 | Very low | 44.2 | Very low | 45 Ų | 45 | 107.7 Ų | 107.7 | 37% | 0.372 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66.7 | -34.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q357 E358 S364 R365 | Q357-A361 VanDerWaalsContact O-CB 3.29Å; Q357-A361 WeakPolarHBondContact O-CB 3.38Å; Q357-A361 PolarHBondContact O-N 2.85Å; E358-A361 PolarHBondContact O-N 3.31Å; A361-S364 PolarHBondContact O-N 3.25Å; A361-R365 WeakPolarHBondContact O-CB 3.5Å; A361-R365 WeakPolarHBondContact O-CG 3.45Å; A361-R365 PolarHBondContact O-N 3.29Å |
| 362 | T | 45.6 | Very low | 43.2 | Very low | 84 Ų | 84 | 108.7 Ų | 108.7 | 52% | 0.515 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -76.5 | -37 | 178.6 | -54.8 | 0 | 0 | 0 | 0 | 111.4 | E358 Y359 A360 S364 R365 R366 | E358-T362 WeakPolarHBondContact O-CB 3.35Å; E358-T362 PolarHBondContact O-N 2.89Å; E358-T362 PolarHBondContact O-OG1 2.95Å; Y359-T362 PolarHBondContact O-N 3.17Å; A360-T362 VanDerWaalsContact C-N 3.35Å; A360-T362 PolarHBondContact O-N 3.08Å; T362-S364 VanDerWaalsContact C-N 3.34Å; T362-R365 PolarHBondContact O-N 3.15Å; T362-R366 PolarHBondContact O-N 2.91Å |
| 363 | A | 37.1 | Very low | 42.3 | Very low | 64 Ų | 64 | 114.9 Ų | 114.9 | 53% | 0.529 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -59.5 | -45.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y359 A360 R366 | Y359-A363 WeakPolarHBondContact O-CB 3.3Å; Y359-A363 PolarHBondContact O-N 3.13Å; A360-A363 PolarHBondContact O-N 3.26Å; A363-R366 PolarHBondContact O-N 3.34Å |
| 364 | S | 41.3 | Very low | 41.4 | Very low | 79 Ų | 79 | 116.9 Ų | 116.9 | 55% | 0.552 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -61.5 | -43.7 | 174.9 | -178.6 | 0 | 0 | 0 | 0 | 112.6 | A360 A361 T362 R366 S367 | A360-S364 WeakPolarHBondContact O-CB 3.28Å; A360-S364 PolarHBondContact O-N 3.32Å; A361-S364 PolarHBondContact O-N 3.25Å; T362-S364 VanDerWaalsContact C-N 3.34Å; S364-R366 PolarHBondContact O-N 3.15Å; S364-S367 PolarHBondContact O-N 3.13Å |
| 365 | R | 44.1 | Very low | 40.3 | Very low | 202 Ų | 202 | 122.2 Ų | 122.2 | 76% | 0.762 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -65.5 | -19.7 | 177.9 | -76.8 | 177.7 | -179 | -82.5 | 1.2 | 114.4 | A361 T362 S367 | A361-R365 WeakPolarHBondContact O-CB 3.5Å; A361-R365 WeakPolarHBondContact O-CG 3.45Å; A361-R365 PolarHBondContact O-N 3.29Å; T362-R365 PolarHBondContact O-N 3.15Å; R365-S367 PolarHBondContact O-N 3.09Å |
| 366 | R | 43.5 | Very low | 39.4 | Very low | 224 Ų | 224 | 129 Ų | 129 | 85% | 0.845 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -6 | 169.7 | -72.5 | -173.9 | 70.1 | -126.5 | 1.7 | 114 | T362 A363 S364 | T362-R366 PolarHBondContact O-N 2.91Å; A363-R366 PolarHBondContact O-N 3.34Å; S364-R366 PolarHBondContact O-N 3.15Å |
| 367 | S | 39.6 | Very low | 38.4 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | 6.1 | 178.3 | -159.1 | 0 | 0 | 0 | 0 | 114.7 | S364 R365 | S364-S367 PolarHBondContact O-N 3.13Å; R365-S367 PolarHBondContact O-N 3.09Å |
| 368 | S | 33.6 | Very low | 37.6 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 68% | 0.678 | 71% | 0.707 | S | S | * | * | | | trans | -142.7 | 92.7 | 178.1 | -68.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 369 | G | 34.5 | Very low | 37.2 | Very low | 70 Ų | 70 | 128.9 Ų | 128.9 | 72% | 0.722 | 71% | 0.713 | S | S | * | * | | | trans | -89.5 | 159.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 370 | S | 34.9 | Very low | 36.3 | Very low | 124 Ų | 124 | 129 Ų | 129 | 87% | 0.867 | 72% | 0.717 | S | S | * | * | | | trans | 66 | 154.9 | -173.2 | 81.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 371 | S | 34.3 | Very low | 35.8 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 78% | 0.783 | 72% | 0.722 | S | S | * | * | | | cis | -131.3 | 156.6 | 7.6 | -173.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 372 | C | 34.6 | Very low | 35.4 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | | | trans | -99.5 | 128.7 | 176.8 | -58.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 373 | H | 31.7 | Very low | 35 | Very low | 183 Ų | 183 | 137.9 Ų | 137.9 | 85% | 0.847 | 75% | 0.749 | S | S | * | * | | | trans | -138 | 137.1 | 146.9 | -134.3 | 68.2 | 0 | 0 | 0 | 111.9 | | |
| 374 | S | 31.8 | Very low | 34.9 | Very low | 94 Ų | 94 | 142.9 Ų | 142.9 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | | | trans | -107.9 | -167.2 | 176.4 | -172 | 0 | 0 | 0 | 0 | 108.6 | | |
| 375 | L | 32.6 | Very low | 35 | Very low | 139 Ų | 139 | 145.6 Ų | 145.6 | 73% | 0.728 | 77% | 0.769 | S | S | * | * | | | trans | 72.4 | 98.1 | 178.1 | -52.3 | 163.8 | 0 | 0 | 0 | 112.2 | | |
| 376 | R | 33.1 | Very low | 34.8 | Very low | 235 Ų | 235 | 142.4 Ų | 142.4 | 89% | 0.887 | 77% | 0.767 | S | S | * | * | | | | 80.2 | 125.5 | 67.5 | -75.8 | -171.9 | 175.1 | -148.6 | 0.7 | 113.7 | | |
| 377 | R | 31.3 | Very low | 34.4 | Very low | 251 Ų | 251 | 135.2 Ų | 135.2 | 95% | 0.947 | 76% | 0.755 | S | S | * | * | | | trans | -63.8 | 135.1 | 165.7 | -70 | 164.5 | 152 | -110.9 | 1 | 111.7 | | |
| 378 | S | 29.4 | Very low | 34.1 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | | | trans | -176.9 | 146.9 | 147.4 | -124.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 379 | T | 33.4 | Very low | 34.4 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | | | cis | 163.7 | 143.3 | -13.3 | 28.2 | 0 | 0 | 0 | 0 | 104.5 | | |
| 380 | F | 28.1 | Very low | 34.9 | Very low | 195 Ų | 195 | 141.1 Ų | 141.1 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | | | trans | 70.5 | 135.1 | 177.7 | -91.4 | -128.2 | 0 | 0 | 0 | 114.7 | | |
| 381 | S | 33.7 | Very low | 34.8 | Very low | 89 Ų | 89 | 142.6 Ų | 142.6 | 62% | 0.622 | 75% | 0.75 | S | S | * | * | | | | 73.6 | 138 | 61.1 | -84.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 382 | D | 34.4 | Very low | 35.5 | Very low | 130 Ų | 130 | 143.7 Ų | 143.7 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | | | cis | -138.3 | 151.3 | 8.8 | -99.5 | -8 | 0 | 0 | 0 | 109.6 | | |
| 383 | Q | 38 | Very low | 36.3 | Very low | 162 Ų | 162 | 146.5 Ų | 146.5 | 76% | 0.757 | 75% | 0.749 | S | S | * | * | | | | 70.2 | 147.7 | 83 | -164.3 | 168.9 | -23.1 | 0 | 0 | 115.2 | | |
| 384 | E | 35 | Very low | 37.2 | Very low | 169 Ų | 169 | 146.6 Ų | 146.6 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | | | trans | 76.9 | 149.1 | -178.3 | -54.8 | -162.4 | 132.5 | 0 | 0 | 116.7 | | |
| 385 | L | 43.1 | Very low | 37.8 | Very low | 135 Ų | 135 | 150 Ų | 150 | 71% | 0.707 | 76% | 0.756 | S | S | * | * | | | cis | -171.7 | 169.5 | -46 | -114.1 | 170.4 | 0 | 0 | 0 | 107.5 | | |
| 386 | D | 40.8 | Very low | 37.8 | Very low | 136 Ų | 136 | 147 Ų | 147 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | trans | 63.3 | 157.5 | 168.5 | -66.4 | -12.6 | 0 | 0 | 0 | 117.9 | | |
| 387 | A | 34 | Very low | 37.8 | Very low | 73 Ų | 73 | 141.6 Ų | 141.6 | 60% | 0.603 | 74% | 0.743 | S | S | * | * | | | cis | -144.5 | 145.9 | 7.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 388 | H | 34 | Very low | 37.8 | Very low | 159 Ų | 159 | 137 Ų | 137 | 74% | 0.736 | 73% | 0.732 | S | S | * | * | | | trans | 46.3 | 116.7 | 140.4 | -55.1 | -39.2 | 0 | 0 | 0 | 120.8 | | |
| 389 | S | 40 | Very low | 37.7 | Very low | 113 Ų | 113 | 139.8 Ų | 139.8 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | | | | 91.9 | 149.2 | 96.9 | -145.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 390 | L | 45.1 | Very low | 37.4 | Very low | 123 Ų | 123 | 139 Ų | 139 | 64% | 0.644 | 74% | 0.735 | S | S | * | * | | | cis | -170.3 | 144.4 | 44.9 | 157.5 | 144 | 0 | 0 | 0 | 110.9 | | |
| 391 | E | 33.5 | Very low | 37.5 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | | | trans | 47.7 | 157.6 | 164.8 | -72.4 | 124.6 | -130 | 0 | 0 | 119 | | |
| 392 | D | 48.8 | Very low | 37.2 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | | | cis | -149.9 | 129.5 | 20.2 | -152.2 | -148.7 | 0 | 0 | 0 | 106.4 | | |
| 393 | E | 50.6 | Low | 36.9 | Very low | 177 Ų | 177 | 138.1 Ų | 138.1 | 83% | 0.827 | 74% | 0.742 | S | S | * | * | | | | 51.5 | 138.8 | 84.7 | -50.4 | -148.3 | 92.3 | 0 | 0 | 115.1 | | |
| 394 | E | 51.2 | Low | 36.5 | Very low | 184 Ų | 184 | 137.7 Ų | 137.7 | 86% | 0.86 | 75% | 0.745 | S | S | * | * | | | cis | -114.9 | 167.9 | -4.2 | 63.2 | -176.1 | 176.7 | 0 | 0 | 110.7 | | |
| 395 | E | 43.4 | Very low | 36.3 | Very low | 167 Ų | 167 | 137.3 Ų | 137.3 | 78% | 0.78 | 75% | 0.747 | S | S | * | * | | | cis | 89.1 | 140.8 | 16.1 | -167.6 | 61.1 | 119.6 | 0 | 0 | 118.3 | | |
| 396 | A | 33 | Very low | 36.2 | Very low | 74 Ų | 74 | 136.1 Ų | 136.1 | 61% | 0.612 | 75% | 0.747 | S | S | * | * | | | trans | 68.3 | 141.9 | 164 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 397 | V | 32.4 | Very low | 35.7 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 75% | 0.745 | 75% | 0.747 | S | S | * | * | | | cis | -160.7 | 166.3 | -15.7 | -95.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 398 | H | 31.1 | Very low | 35.3 | Very low | 155 Ų | 155 | 135 Ų | 135 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | | | trans | 86.2 | 112.9 | 142.3 | -86.4 | -50 | 0 | 0 | 0 | 123.8 | | |
| 399 | M | 27.7 | Very low | 35.1 | Very low | 163 Ų | 163 | 137.1 Ų | 137.1 | 80% | 0.803 | 75% | 0.748 | S | S | * | * | | | | 87.8 | 146 | 124.7 | -141.3 | 70 | 92.4 | 0 | 0 | 120.4 | | |
| 400 | S | 27.3 | Very low | 34.5 | Very low | 103 Ų | 103 | 140.9 Ų | 140.9 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | | | trans | -87.1 | 175.3 | 179.6 | -47.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 401 | F | 30 | Very low | 33.9 | Very low | 212 Ų | 212 | 140 Ų | 140 | 93% | 0.93 | 75% | 0.754 | S | S | * | * | | | trans | 91.4 | 151.4 | 168.5 | -94.5 | -94.4 | 0 | 0 | 0 | 119.5 | | |
| 402 | A | 27.7 | Very low | 34.4 | Very low | 82 Ų | 82 | 138.6 Ų | 138.6 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | | | trans | 79.8 | 89 | 162.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 403 | S | 28.3 | Very low | 33.6 | Very low | 101 Ų | 101 | 137.3 Ų | 137.3 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | | 79.5 | 145.4 | 120.9 | 74 | 0 | 0 | 0 | 0 | 123.2 | | |
| 404 | N | 28.9 | Very low | 33.2 | Very low | 152 Ų | 152 | 133.7 Ų | 133.7 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | | | trans | 76.6 | 109.6 | 150.9 | -60.6 | -18.1 | 0 | 0 | 0 | 121.5 | | |
| 405 | L | 30.8 | Very low | 32.4 | Very low | 161 Ų | 161 | 135 Ų | 135 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | | | trans | -56.7 | 163.4 | 142.3 | -108.8 | 71.3 | 0 | 0 | 0 | 110.7 | | |
| 406 | P | 42.7 | Very low | 31.7 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | | | cis | -154.2 | 171.1 | 46.3 | 43.4 | -22.7 | 0 | 0 | 0 | 120.3 | | |
| 407 | S | 28.9 | Very low | 31.5 | Very low | 103 Ų | 103 | 136.3 Ų | 136.3 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | | | trans | 72.9 | 140.7 | 139.1 | -80.6 | 0 | 0 | 0 | 0 | 123.4 | | |
| 408 | S | 26.3 | Very low | 32.1 | Very low | 83 Ų | 83 | 135.4 Ų | 135.4 | 58% | 0.58 | 75% | 0.75 | S | S | * | * | | | trans | 76.1 | 143.4 | 151.2 | -66.9 | 0 | 0 | 0 | 0 | 119.1 | | |
| 409 | R | 29 | Very low | 32.1 | Very low | 204 Ų | 204 | 138.7 Ų | 138.7 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | | | cis | -163.4 | 152.2 | -13 | -124 | 174.3 | -79.2 | -170 | -2 | 111.1 | | |
| 410 | F | 28.7 | Very low | 32.2 | Very low | 191 Ų | 191 | 137 Ų | 137 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | | | trans | 59.6 | 123.7 | 157.6 | -82 | -77.3 | 0 | 0 | 0 | 122.6 | | |
| 411 | S | 32.8 | Very low | 32.4 | Very low | 105 Ų | 105 | 137.1 Ų | 137.1 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | | | trans | -73.4 | 164.6 | 149.5 | -30 | 0 | 0 | 0 | 0 | 110.9 | | |
| 412 | P | 43.8 | Very low | 32.9 | Very low | 125 Ų | 125 | 132 Ų | 132 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | | | | -150.2 | 171.5 | 79 | 39.7 | -21.3 | 0 | 0 | 0 | 116.7 | | |
| 413 | S | 31.6 | Very low | 33.2 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | | | trans | -97.6 | 148.6 | 162.9 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 414 | P | 42.3 | Very low | 33.3 | Very low | 101 Ų | 101 | 141.1 Ų | 141.1 | 66% | 0.656 | 76% | 0.756 | S | S | * | * | | | | -160.3 | 142.2 | 109.1 | 36.6 | -16 | 0 | 0 | 0 | 119.1 | | |
| 415 | R | 34.5 | Very low | 33.2 | Very low | 211 Ų | 211 | 138.7 Ų | 138.7 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | | | trans | 66.6 | 169.9 | 146.7 | -59.8 | 166.8 | -175 | -97.7 | 0.7 | 116.6 | | |
| 416 | H | 27 | Very low | 33.7 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | | | cis | -140.3 | 172.4 | 5.5 | -119.7 | 128.3 | 0 | 0 | 0 | 111.9 | | |
| 417 | S | 29.3 | Very low | 33.3 | Very low | 104 Ų | 104 | 143.1 Ų | 143.1 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | trans | -98.6 | -163.5 | 174.5 | -146.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 418 | P | 44.5 | Very low | 33.4 | Very low | 104 Ų | 104 | 144 Ų | 144 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | | | cis | -141.6 | 177.6 | -8.1 | 41 | -22 | 0 | 0 | 0 | 117.1 | | |
| 419 | R | 31.1 | Very low | 33.7 | Very low | 224 Ų | 224 | 151 Ų | 151 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | | | trans | 163.4 | 119.2 | 131.6 | -92.1 | 176.2 | -179.3 | -92 | -1 | 112.6 | | |
| 420 | V | 29.7 | Very low | 33.6 | Very low | 126 Ų | 126 | 146.6 Ų | 146.6 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | | | | 91.3 | 116 | 90.3 | 167.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 421 | S | 32.6 | Very low | 33.9 | Very low | 106 Ų | 106 | 143.7 Ų | 143.7 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | trans | -79.6 | -172.5 | 170.6 | -20.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 422 | P | 40.4 | Very low | 33.5 | Very low | 106 Ų | 106 | 143 Ų | 143 | 69% | 0.688 | 78% | 0.778 | S | S | * | * | | | cis | -157 | -166.8 | 34.1 | 46.2 | -23.3 | 0 | 0 | 0 | 118.8 | | |
| 423 | R | 35 | Very low | 33.1 | Very low | 232 Ų | 232 | 147.7 Ų | 147.7 | 88% | 0.875 | 78% | 0.779 | S | S | * | * | | | trans | 72 | 157.6 | 155 | -69.1 | 162 | 83.9 | 153.6 | 2.9 | 119.6 | | |
| 424 | N | 29 | Very low | 32.7 | Very low | 141 Ų | 141 | 146.7 Ų | 146.7 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | | | cis | -170.4 | 149.3 | -41.8 | -147.9 | -8.3 | 0 | 0 | 0 | 111.9 | | |
| 425 | S | 27.8 | Very low | 32.7 | Very low | 101 Ų | 101 | 149.7 Ų | 149.7 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | | | trans | 65.1 | 166.2 | 159 | -78.7 | 0 | 0 | 0 | 0 | 120.6 | | |
| 426 | P | 40.7 | Very low | 32.6 | Very low | 113 Ų | 113 | 144.6 Ų | 144.6 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | | | cis | -140.1 | 145.1 | -26.1 | 34.2 | -14.6 | 0 | 0 | 0 | 117.8 | | |
| 427 | R | 33.7 | Very low | 32.8 | Very low | 251 Ų | 251 | 147.7 Ų | 147.7 | 95% | 0.947 | 78% | 0.776 | S | S | * | * | | | trans | 29.5 | 114.3 | 132.9 | -165.4 | -176.3 | -160.6 | 169 | 5.4 | 122 | | |
| 428 | S | 30.9 | Very low | 32.9 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | | | trans | -166.6 | 178.8 | 145.1 | 62.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 429 | R | 34.1 | Very low | 32.3 | Very low | 230 Ų | 230 | 149.1 Ų | 149.1 | 87% | 0.868 | 78% | 0.778 | S | S | * | * | | | | -165.3 | 92.5 | -64.7 | -179.5 | -176.8 | -179.8 | -106.3 | 5.6 | 109.9 | | |
| 430 | S | 26.6 | Very low | 32.1 | Very low | 112 Ų | 112 | 143.5 Ų | 143.5 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | | | trans | 62.7 | 159.8 | 167.8 | -59.1 | 0 | 0 | 0 | 0 | 118.7 | | |
| 431 | P | 33.8 | Very low | 32.4 | Very low | 131 Ų | 131 | 149.1 Ų | 149.1 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | trans | -79.7 | 157.5 | -174.1 | -11.3 | 29.1 | 0 | 0 | 0 | 113.7 | | |
| 432 | A | 25.6 | Very low | 32.2 | Very low | 89 Ų | 89 | 148 Ų | 148 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | | | trans | -145 | 171.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 433 | R | 34.3 | Very low | 31.6 | Very low | 225 Ų | 225 | 147.7 Ų | 147.7 | 85% | 0.849 | 79% | 0.787 | S | S | * | * | | | trans | 77.5 | 130.8 | 179.8 | -42.7 | -169.8 | 71.8 | 122 | 6.5 | 113.6 | | |
| 434 | S | 24.8 | Very low | 32.1 | Very low | 87 Ų | 87 | 142.8 Ų | 142.8 | 61% | 0.608 | 79% | 0.785 | S | S | * | * | | | cis | 71.6 | 110.2 | 34.4 | -172.2 | 0 | 0 | 0 | 0 | 112.6 | D436 | S434-D436 PolarHBondContact OG-OD2 3.34Š|
| 435 | I | 40.3 | Very low | 32.3 | Very low | 164 Ų | 164 | 144 Ų | 144 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | | | trans | -131.5 | 126.3 | 157 | -172.8 | 157.8 | 0 | 0 | 0 | 108.8 | | |
| 436 | D | 33.1 | Very low | 33.4 | Very low | 104 Ų | 104 | 144.1 Ų | 144.1 | 56% | 0.556 | 78% | 0.784 | S | S | * | * | | | trans | -96.1 | -162.8 | -176.7 | -58.3 | -95.6 | 0 | 0 | 0 | 110.8 | S434 | S434-D436 PolarHBondContact OG-OD2 3.34Š|
| 437 | Y | 31.9 | Very low | 33 | Very low | 230 Ų | 230 | 145.4 Ų | 145.4 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | | | trans | 70.9 | 132.1 | -178.6 | -44.7 | -77 | 0 | 0 | 0 | 113.6 | | |
| 438 | G | 30 | Very low | 33 | Very low | 61 Ų | 61 | 140.3 Ų | 140.3 | 63% | 0.629 | 77% | 0.774 | S | S | * | * | | | cis | 154 | 138.1 | 3.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 439 | H | 32.2 | Very low | 32.9 | Very low | 177 Ų | 177 | 139.2 Ų | 139.2 | 82% | 0.819 | 77% | 0.766 | S | S | * | * | | | | -168.8 | 152.4 | 67.5 | -79.4 | 76.6 | 0 | 0 | 0 | 111.2 | | |
| 440 | S | 27.9 | Very low | 32.9 | Very low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | trans | 63 | 145.2 | 150.2 | -63.8 | 0 | 0 | 0 | 0 | 119.1 | | |
| 441 | R | 34.8 | Very low | 33.5 | Very low | 243 Ų | 243 | 140.8 Ų | 140.8 | 92% | 0.917 | 77% | 0.765 | S | S | * | * | | | cis | -161.9 | 144 | -5.5 | -123.7 | 178.9 | 179.6 | -119.7 | 4 | 107.9 | | |
| 442 | G | 29.5 | Very low | 33.4 | Very low | 83 Ų | 83 | 143 Ų | 143 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | | | trans | 139.3 | 109.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 443 | S | 28.6 | Very low | 33.9 | Very low | 100 Ų | 100 | 147.2 Ų | 147.2 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | | | trans | -150.9 | 154.7 | 166.3 | -161.4 | 0 | 0 | 0 | 0 | 107.7 | | |
| 444 | P | 45.3 | Very low | 34.2 | Very low | 129 Ų | 129 | 142 Ų | 142 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | | | | -139.5 | 168.5 | 87.3 | 23.6 | -1.5 | 0 | 0 | 0 | 117 | | |
| 445 | Q | 32.3 | Very low | 34.4 | Very low | 165 Ų | 165 | 148.4 Ų | 148.4 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | | | trans | -82.3 | -164.8 | 172.3 | -74 | -78.5 | -1.9 | 0 | 0 | 111.4 | | |
| 446 | P | 50.8 | Low | 34 | Very low | 104 Ų | 104 | 148.7 Ų | 148.7 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | | | cis | -125.7 | -152.1 | 1.9 | 25.8 | 2.7 | 0 | 0 | 0 | 113 | | |
| 447 | I | 31.8 | Very low | 34 | Very low | 141 Ų | 141 | 149.3 Ų | 149.3 | 72% | 0.723 | 79% | 0.785 | S | S | * | * | | | cis | -150 | 125.2 | 26.9 | -67.5 | 175.4 | 0 | 0 | 0 | 114.3 | | |
| 448 | I | 35 | Very low | 34.6 | Very low | 144 Ų | 144 | 145.8 Ų | 145.8 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | | | trans | 16.1 | 145.3 | 135.1 | -17.7 | 169.9 | 0 | 0 | 0 | 123.4 | | |
| 449 | S | 28.1 | Very low | 34.7 | Very low | 97 Ų | 97 | 152.1 Ų | 152.1 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | | | trans | 81 | 151.3 | 146.6 | -75.6 | 0 | 0 | 0 | 0 | 119.7 | | |
| 450 | R | 34.6 | Very low | 34.7 | Very low | 226 Ų | 226 | 146.3 Ų | 146.3 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | cis | -159.7 | 151.5 | -5.3 | -123.6 | 169.4 | -179.3 | 177.2 | 0.2 | 111.9 | | |
| 451 | L | 39.1 | Very low | 34.9 | Very low | 150 Ų | 150 | 150.8 Ų | 150.8 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | | | trans | 39.9 | 134.3 | 140.6 | -142.4 | 75.4 | 0 | 0 | 0 | 122.6 | | |
| 452 | Q | 30.4 | Very low | 35 | Very low | 176 Ų | 176 | 142 Ų | 142 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | | 147.9 | 133.4 | 113.6 | -163.2 | 148.6 | 36.8 | 0 | 0 | 114.8 | | |
| 453 | Q | 38 | Very low | 35.4 | Very low | 179 Ų | 179 | 146.8 Ų | 146.8 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | | | trans | -96.7 | 167 | 170.9 | -53.8 | -177.3 | -14.6 | 0 | 0 | 110.9 | | |
| 454 | P | 38.9 | Very low | 35.6 | Very low | 115 Ų | 115 | 149.2 Ų | 149.2 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | | | | -161.4 | 162 | 87.7 | 41.2 | -20.4 | 0 | 0 | 0 | 120.6 | | |
| 455 | R | 30 | Very low | 35.7 | Very low | 221 Ų | 221 | 150.4 Ų | 150.4 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | | | trans | 72.4 | 125.2 | 143.8 | -68.1 | -99.5 | -165.4 | 144.4 | 3.8 | 124.6 | | |
| 456 | H | 31.2 | Very low | 36.2 | Very low | 171 Ų | 171 | 150.6 Ų | 150.6 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | | | trans | 27.2 | 150.5 | 130.5 | -65.7 | -95.1 | 0 | 0 | 0 | 122.2 | | |
| 457 | S | 32.8 | Very low | 36 | Very low | 116 Ų | 116 | 152 Ų | 152 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | | | | -164.1 | -176.6 | 50.6 | -159.5 | 0 | 0 | 0 | 0 | 116.2 | | |
| 458 | L | 44.2 | Very low | 36.5 | Very low | 156 Ų | 156 | 150.1 Ų | 150.1 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | | | trans | -94.9 | 163.3 | -176.4 | -64.6 | 156.4 | 0 | 0 | 0 | 114.7 | | |
| 459 | Q | 32.7 | Very low | 37.1 | Very low | 194 Ų | 194 | 148.6 Ų | 148.6 | 91% | 0.907 | 78% | 0.783 | S | S | * | * | | | trans | -167.6 | 155.4 | 149.6 | -159.3 | 59.8 | 17.4 | 0 | 0 | 113 | | |
| 460 | G | 31.8 | Very low | 38.1 | Very low | 56 Ų | 56 | 150 Ų | 150 | 58% | 0.577 | 79% | 0.787 | S | S | * | * | | | trans | 179.5 | 159.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 461 | H | 33.1 | Very low | 38.6 | Very low | 200 Ų | 200 | 148.3 Ų | 148.3 | 93% | 0.926 | 79% | 0.786 | S | S | * | * | | | trans | -167.3 | 177 | 169.4 | -115.4 | 60.8 | 0 | 0 | 0 | 112.8 | | |
| 462 | G | 37.3 | Very low | 39.1 | Very low | 58 Ų | 58 | 145.8 Ų | 145.8 | 60% | 0.598 | 77% | 0.774 | S | S | * | * | | | trans | -144.6 | -150.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 463 | H | 38 | Very low | 40.3 | Very low | 185 Ų | 185 | 143 Ų | 143 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | | | trans | 76.9 | 155.4 | -162.5 | -64.6 | -98.8 | 0 | 0 | 0 | 114.1 | | |
| 464 | D | 31.2 | Very low | 40.8 | Very low | 151 Ų | 151 | 140.7 Ų | 140.7 | 81% | 0.807 | 75% | 0.75 | S | S | * | * | | | cis | -144.6 | 175.3 | 15.7 | -154.9 | -5.7 | 0 | 0 | 0 | 113.4 | | |
| 465 | L | 47.5 | Very low | 41.5 | Very low | 153 Ų | 153 | 142.8 Ų | 142.8 | 80% | 0.801 | 75% | 0.747 | S | S | * | * | | | trans | -142.8 | 110.5 | -171 | -125.2 | 170.9 | 0 | 0 | 0 | 112 | | |
| 466 | Q | 43.8 | Very low | 43 | Very low | 169 Ų | 169 | 137 Ų | 137 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | | | trans | 160.1 | 124 | 157.2 | -91.9 | -69.4 | 7.4 | 0 | 0 | 109.8 | | |
| 467 | T | 45.8 | Very low | 44.2 | Very low | 135 Ų | 135 | 137.5 Ų | 137.5 | 83% | 0.828 | 73% | 0.727 | S | S | * | * | | | trans | 168.5 | -24.7 | 158.5 | 24.6 | 0 | 0 | 0 | 0 | 114.4 | V469 | T467-V469 PolarHBondContact O-N 3.24Š|
| 468 | S | 42.2 | Very low | 45.4 | Very low | 100 Ų | 100 | 141.9 Ų | 141.9 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | | | trans | -71.9 | -20.1 | -159.7 | 56.1 | 0 | 0 | 0 | 0 | 116.9 | | |
| 469 | V | 49.3 | Very low | 45.8 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 68% | 0.679 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -66.1 | -45.9 | -163.5 | -177.6 | 0 | 0 | 0 | 0 | 113.7 | T467 K471 N472 | T467-V469 PolarHBondContact O-N 3.24Å; V469-K471 VanDerWaalsContact C-N 3.29Å; V469-K471 PolarHBondContact O-N 3.41Å; V469-N472 PolarHBondContact O-N 3.31Å |
| 470 | V | 47.5 | Very low | 47 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -67.4 | -28.6 | -169.6 | -174.4 | 0 | 0 | 0 | 0 | 112.6 | N472 | V470-N472 PolarHBondContact O-N 3.14Å |
| 471 | K | 45.6 | Very low | 47.8 | Very low | 190 Ų | 190 | 137.3 Ų | 137.3 | 83% | 0.826 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -81.2 | 1.1 | -174.8 | -135.2 | 169.7 | -171.1 | 171.5 | 0 | 114.3 | V469 | V469-K471 VanDerWaalsContact C-N 3.29Å; V469-K471 PolarHBondContact O-N 3.41Å |
| 472 | N | 50.7 | Low | 48.2 | Very low | 98 Ų | 98 | 134.7 Ų | 134.7 | 52% | 0.524 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -93.3 | -41.2 | 179.3 | -166.7 | 20.2 | 0 | 0 | 0 | 112.7 | V469 V470 E474 K475 L476 | V469-N472 PolarHBondContact O-N 3.31Å; V470-N472 PolarHBondContact O-N 3.14Å; N472-E474 PolarHBondContact O-N 3.41Å; N472-K475 WeakPolarHBondContact O-CB 3.31Å; N472-K475 PolarHBondContact O-N 3.09Å; N472-K475 VanDerWaalsContact O-N 3.13Å; N472-L476 WeakPolarHBondContact O-CD1 3.41Å; N472-L476 PolarHBondContact O-N 3.46Å; N472-L476 WeakPolarHBondContact OD1-CD1 3.42Å |
| 473 | E | 53.9 | Low | 48.4 | Very low | 118 Ų | 118 | 139 Ų | 139 | 55% | 0.551 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -53.7 | -53.2 | -174.2 | -172 | -164.8 | 143.4 | 0 | 0 | 111.9 | K475 L476 R477 | E473-K475 PolarHBondContact O-N 3.02Å; E473-K475 VanDerWaalsContact O-N 3.11Å; E473-L476 PolarHBondContact O-N 3.33Å; E473-R477 HydrophobicContact CG-CG 4.47Å; E473-R477 WeakPolarHBondContact O-CG 3.44Å; E473-R477 PolarHBondContact O-N 3.41Å; E473-R477 VanDerWaalsContact O-N 3.14Å; E473-R477 IonicContact OE1-CZ 3.89Å; E473-R477 IonicContact OE1-NH1 2.92Å; E473-R477 PolarHBondContact OE1-NH1 3.11Å |
| 474 | E | 49 | Very low | 48.3 | Very low | 129 Ų | 129 | 137.1 Ų | 137.1 | 60% | 0.603 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -66.9 | -17.6 | -173.4 | -154.6 | 177 | 179.9 | 0 | 0 | 113.2 | N472 | N472-E474 PolarHBondContact O-N 3.41Å |
| 475 | K | 54.2 | Low | 48.6 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 70% | 0.696 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -74.3 | -44 | 170.3 | -104.2 | -180 | 173.9 | -177.9 | 0 | 112.1 | N472 E473 R477 R478 S479 | N472-K475 WeakPolarHBondContact O-CB 3.31Å; N472-K475 PolarHBondContact O-N 3.09Å; N472-K475 VanDerWaalsContact O-N 3.13Å; E473-K475 PolarHBondContact O-N 3.02Å; E473-K475 VanDerWaalsContact O-N 3.11Å; K475-R477 VanDerWaalsContact C-N 3.27Å; K475-R477 PolarHBondContact O-N 3.01Å; K475-R478 PolarHBondContact O-N 3.47Å; K475-S479 PolarHBondContact O-N 3.28Å |
| 476 | L | 60.5 | Low | 47.7 | Very low | 99 Ų | 99 | 138.1 Ų | 138.1 | 52% | 0.518 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -62.7 | -36.5 | 174.8 | -83.4 | 79.8 | 0 | 0 | 0 | 111.5 | N472 E473 R478 S479 | N472-L476 WeakPolarHBondContact O-CD1 3.41Å; N472-L476 PolarHBondContact O-N 3.46Å; N472-L476 WeakPolarHBondContact OD1-CD1 3.42Å; E473-L476 PolarHBondContact O-N 3.33Å; L476-R478 PolarHBondContact O-N 3.13Å; L476-S479 PolarHBondContact O-N 3.27Å; L476-S479 PolarHBondContact O-OG 3.38Å |
| 477 | R | 57.7 | Low | 47.1 | Very low | 181 Ų | 181 | 135.5 Ų | 135.5 | 68% | 0.683 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -17.3 | 178.1 | -61 | -177 | 83.1 | 102.1 | 11.6 | 114 | E473 K475 | E473-R477 HydrophobicContact CG-CG 4.47Å; E473-R477 WeakPolarHBondContact O-CG 3.44Å; E473-R477 PolarHBondContact O-N 3.41Å; E473-R477 VanDerWaalsContact O-N 3.14Å; E473-R477 IonicContact OE1-CZ 3.89Å; E473-R477 IonicContact OE1-NH1 2.92Å; E473-R477 PolarHBondContact OE1-NH1 3.11Å; K475-R477 VanDerWaalsContact C-N 3.27Å; K475-R477 PolarHBondContact O-N 3.01Å |
| 478 | R | 57 | Low | 46.5 | Very low | 208 Ų | 208 | 133.5 Ų | 133.5 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | -8.3 | 176.9 | -68.7 | -174 | -177.2 | -151.3 | 2.5 | 114.1 | K475 L476 | K475-R478 PolarHBondContact O-N 3.47Å; L476-R478 PolarHBondContact O-N 3.13Å |
| 479 | S | 53.7 | Low | 46.1 | Very low | 79 Ų | 79 | 134.7 Ų | 134.7 | 55% | 0.552 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -96.6 | -3.1 | -178.9 | 56.6 | 0 | 0 | 0 | 0 | 115 | K475 L476 | K475-S479 PolarHBondContact O-N 3.28Å; L476-S479 PolarHBondContact O-N 3.27Å; L476-S479 PolarHBondContact O-OG 3.38Å |
| 480 | L | 58.3 | Low | 45.3 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 60% | 0.602 | 71% | 0.712 | S | S | * | * | | | trans | -132.2 | 87.2 | -175.3 | -66.4 | 175.8 | 0 | 0 | 0 | 111.7 | N482 | L480-N482 VanDerWaalsContact C-N 3.31Å; L480-N482 PolarHBondContact O-N 3.45Å |
| 481 | P | 47.1 | Very low | 44.6 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 76% | 0.76 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -7.7 | -174.3 | 29.8 | -35.6 | 0 | 0 | 0 | 115.4 | | |
| 482 | N | 42.1 | Very low | 43.9 | Very low | 145 Ų | 145 | 134.2 Ų | 134.2 | 78% | 0.775 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.8 | 28.7 | -164.1 | -70 | -32.2 | 0 | 0 | 0 | 115.3 | L480 | L480-N482 VanDerWaalsContact C-N 3.31Å; L480-N482 PolarHBondContact O-N 3.45Å |
| 483 | L | 40.9 | Very low | 42.8 | Very low | 149 Ų | 149 | 134.9 Ų | 134.9 | 78% | 0.78 | 73% | 0.727 | S | S | * | * | | | trans | -114 | 85.7 | 170.1 | -75 | 176.5 | 0 | 0 | 0 | 111.2 | R485 | L483-R485 PolarHBondContact O-N 3.2Å; L483-R485 VanDerWaalsContact O-N 3.16Å |
| 484 | T | 37.2 | Very low | 42.3 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 88% | 0.883 | 74% | 0.737 | S | S | * | * | | | trans | -66.2 | 111.5 | 174.8 | -55.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 485 | R | 36.4 | Very low | 41.3 | Very low | 206 Ų | 206 | 137.1 Ų | 137.1 | 78% | 0.777 | 75% | 0.748 | S | S | * | * | | | trans | -43.2 | 132.7 | 171.5 | 172.6 | -172.9 | -177.2 | -98.2 | 5.3 | 113.7 | L483 | L483-R485 PolarHBondContact O-N 3.2Å; L483-R485 VanDerWaalsContact O-N 3.16Å |
| 486 | S | 28.6 | Very low | 41 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | | | trans | -146.4 | 142.2 | 144.9 | -94 | 0 | 0 | 0 | 0 | 110.2 | | |
| 487 | T | 31.4 | Very low | 39.5 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | | | trans | -156.1 | 130 | -172.3 | -48.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 488 | A | 33.6 | Very low | 38.2 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | | | trans | 64.7 | 162 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 489 | V | 33.8 | Very low | 36.7 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | | | cis | -142.4 | 160 | 14.7 | -160.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 490 | T | 32.4 | Very low | 35.6 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | | | trans | 85.8 | 126.6 | 151.3 | 10.5 | 0 | 0 | 0 | 0 | 123 | | |
| 491 | A | 31.9 | Very low | 34.6 | Very low | 86 Ų | 86 | 141.1 Ų | 141.1 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | | | trans | 85.9 | 109 | 134.8 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 492 | Q | 32.3 | Very low | 33.8 | Very low | 201 Ų | 201 | 140.9 Ų | 140.9 | 94% | 0.939 | 79% | 0.793 | S | S | * | * | | | trans | 79.8 | 171.8 | 140.7 | -64.5 | -171.5 | -7.6 | 0 | 0 | 121 | | |
| 493 | S | 26.1 | Very low | 33.3 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | | | trans | -143.4 | 164.8 | -153.9 | -178 | 0 | 0 | 0 | 0 | 108.3 | | |
| 494 | P | 43.9 | Very low | 32.9 | Very low | 117 Ų | 117 | 141 Ų | 141 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | | | cis | -129.8 | -168.2 | 9.7 | 25.4 | 0.7 | 0 | 0 | 0 | 115.9 | | |
| 495 | E | 28.5 | Very low | 32.5 | Very low | 177 Ų | 177 | 139.2 Ų | 139.2 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | | | trans | -45 | 178.3 | 164.3 | -85.1 | -160 | 137.3 | 0 | 0 | 118.2 | | |
| 496 | P | 48.1 | Very low | 32.5 | Very low | 98 Ų | 98 | 135 Ų | 135 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | | | cis | -140.8 | 144.8 | -33.7 | 35.2 | -18.2 | 0 | 0 | 0 | 114.4 | | |
| 497 | V | 28 | Very low | 32.8 | Very low | 134 Ų | 134 | 137.5 Ų | 137.5 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | | | trans | -156.5 | 131.2 | 163.4 | -113.3 | 0 | 0 | 0 | 0 | 117.2 | | |
| 498 | K | 30.3 | Very low | 32.9 | Very low | 193 Ų | 193 | 138.6 Ų | 138.6 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | | | trans | 38.7 | 112.7 | 139.1 | -67.5 | 169.5 | -175.3 | 173.2 | 0 | 120.9 | | |
| 499 | N | 25.9 | Very low | 32.9 | Very low | 143 Ų | 143 | 139.7 Ų | 139.7 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | | | | 39.9 | 112.5 | 124.3 | 175.4 | 63.6 | 0 | 0 | 0 | 119.8 | | |
| 500 | S | 30.4 | Very low | 33.4 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | | -170.6 | 160.6 | 122.4 | -86.8 | 0 | 0 | 0 | 0 | 115 | | |
| 501 | R | 37.9 | Very low | 33.4 | Very low | 247 Ų | 247 | 140.1 Ų | 140.1 | 93% | 0.932 | 78% | 0.779 | S | S | * | * | | | trans | -72.3 | 151.9 | -179.2 | -59.4 | 159.5 | 163.1 | 175.3 | -8.1 | 114.3 | | |
| 502 | S | 30.2 | Very low | 33.4 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | | | trans | -162.2 | 157.5 | 148.6 | 59.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 503 | C | 30.4 | Very low | 33.4 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | | | cis | -151.4 | 164.9 | -9.6 | 29.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 504 | E | 33.8 | Very low | 33.7 | Very low | 171 Ų | 171 | 134.8 Ų | 134.8 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | | | trans | -77.8 | 154.6 | 175.2 | 176 | 62.7 | -98.8 | 0 | 0 | 113.1 | | |
| 505 | S | 29.6 | Very low | 34 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | trans | -166.8 | 99.6 | 159.3 | -157.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 506 | N | 34.5 | Very low | 34.1 | Very low | 117 Ų | 117 | 137 Ų | 137 | 63% | 0.626 | 79% | 0.786 | S | S | * | * | | | | 92.1 | 122.1 | 65.2 | -176 | -3.5 | 0 | 0 | 0 | 114.3 | Q508 | N506-Q508 PolarHBondContact OD1-N 3.41Š|
| 507 | L | 36.8 | Very low | 33.5 | Very low | 171 Ų | 171 | 140.7 Ų | 140.7 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | | | trans | -139.7 | 88.5 | 163.4 | -75.5 | 179.8 | 0 | 0 | 0 | 113.4 | | |
| 508 | Q | 31.9 | Very low | 33.7 | Very low | 138 Ų | 138 | 142.7 Ų | 142.7 | 65% | 0.645 | 80% | 0.795 | S | S | * | * | | | | 75.5 | 94 | 115.5 | -143.4 | 44.2 | 30.4 | 0 | 0 | 121.6 | N506 | N506-Q508 PolarHBondContact OD1-N 3.41Š|
| 509 | V | 33.3 | Very low | 33.9 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 70% | 0.697 | 79% | 0.786 | S | S | * | * | | | trans | 63.3 | 166.8 | 142.7 | -65.5 | 0 | 0 | 0 | 0 | 121.8 | | |
| 510 | P | 45 | Very low | 34.4 | Very low | 101 Ų | 101 | 139.9 Ų | 139.9 | 66% | 0.656 | 79% | 0.791 | S | S | * | * | | | cis | -131.7 | 174.2 | -2.4 | 19.5 | 6.2 | 0 | 0 | 0 | 118.5 | | |
| 511 | N | 31.9 | Very low | 34.7 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | | | trans | 78.1 | 130 | 151.4 | -66.6 | -18.8 | 0 | 0 | 0 | 121.9 | | |
| 512 | G | 32.8 | Very low | 34.4 | Very low | 81 Ų | 81 | 132.1 Ų | 132.1 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | | | trans | 139.1 | 96.1 | 140.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 513 | G | 32.7 | Very low | 34.6 | Very low | 88 Ų | 88 | 133.7 Ų | 133.7 | 91% | 0.907 | 78% | 0.784 | S | S | * | * | | | trans | 89.3 | 114 | 144.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 514 | S | 32.4 | Very low | 34.9 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | trans | -123.4 | 175.7 | 151.5 | -142.2 | 0 | 0 | 0 | 0 | 106.5 | | |
| 515 | P | 49.2 | Very low | 34.9 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | | | cis | -143 | -166.7 | 9.2 | 37.4 | -14.2 | 0 | 0 | 0 | 115.9 | | |
| 516 | R | 31.4 | Very low | 35.2 | Very low | 227 Ų | 227 | 132 Ų | 132 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | | | | 123.9 | 91.2 | 128.2 | -161 | 173.6 | -173.9 | 159.2 | 2.1 | 118.9 | | |
| 517 | H | 35.5 | Very low | 35.2 | Very low | 176 Ų | 176 | 133.9 Ų | 133.9 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | | | | 64.7 | 157.1 | 126.3 | -115.7 | -90.7 | 0 | 0 | 0 | 123.3 | | |
| 518 | Q | 31.2 | Very low | 35.8 | Very low | 175 Ų | 175 | 130.3 Ų | 130.3 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | 81.3 | 146.9 | 156.4 | -152.4 | 173.3 | 52.2 | 0 | 0 | 117.5 | | |
| 519 | S | 35.9 | Very low | 35.7 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | | | | -178.5 | 164.9 | -56.6 | -87.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 520 | Q | 35 | Very low | 35.7 | Very low | 185 Ų | 185 | 136.5 Ų | 136.5 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | | | trans | 93.7 | 154 | 158.7 | -48.3 | -160.6 | 36.8 | 0 | 0 | 120.1 | | |
| 521 | S | 36.4 | Very low | 35 | Very low | 120 Ų | 120 | 137 Ų | 137 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | | | trans | -101.9 | -165.3 | -167.6 | -34.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 522 | A | 33 | Very low | 34.9 | Very low | 74 Ų | 74 | 132.2 Ų | 132.2 | 61% | 0.612 | 78% | 0.782 | S | S | * | * | | | cis | -165.6 | 159.3 | 1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 523 | T | 34.2 | Very low | 34.8 | Very low | 145 Ų | 145 | 135 Ų | 135 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | | | trans | 60.6 | 167.4 | 151.8 | 52 | 0 | 0 | 0 | 0 | 117.8 | | |
| 524 | A | 35.8 | Very low | 34.6 | Very low | 96 Ų | 96 | 136 Ų | 136 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | | | cis | -148.4 | -178.3 | 4.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 525 | A | 35.1 | Very low | 34.5 | Very low | 90 Ų | 90 | 142 Ų | 142 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | | | cis | -160.4 | -160.1 | -4.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 526 | Q | 34.6 | Very low | 33.6 | Very low | 182 Ų | 182 | 142.2 Ų | 142.2 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | | | cis | -138.9 | -113.3 | 5.7 | -62.2 | -176.6 | 17.6 | 0 | 0 | 112.5 | | |
| 527 | L | 35.7 | Very low | 33.7 | Very low | 156 Ų | 156 | 136.9 Ų | 136.9 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | | | trans | -167.9 | 175.7 | -150.3 | -82.5 | 176.5 | 0 | 0 | 0 | 109.3 | | |
| 528 | P | 48.2 | Very low | 34.1 | Very low | 97 Ų | 97 | 134.7 Ų | 134.7 | 63% | 0.63 | 78% | 0.783 | S | S | * | * | | | cis | -146.2 | 170.2 | -31.9 | 38.8 | -20.4 | 0 | 0 | 0 | 118.1 | | |
| 529 | R | 30.7 | Very low | 34.1 | Very low | 198 Ų | 198 | 135.8 Ų | 135.8 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | | | trans | 76.5 | 142.4 | 134.3 | -85.5 | 165.6 | 178.3 | -173.7 | 1.7 | 125.5 | | |
| 530 | Y | 32.8 | Very low | 34.7 | Very low | 184 Ų | 184 | 136.5 Ų | 136.5 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | | | trans | 61.1 | 116.6 | 149.9 | -60.3 | -43.9 | 0 | 0 | 0 | 119.4 | | |
| 531 | S | 30 | Very low | 34.6 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | | | | 73.3 | 131.9 | 63.5 | 75 | 0 | 0 | 0 | 0 | 115.4 | | |
| 532 | G | 29.4 | Very low | 34.3 | Very low | 66 Ų | 66 | 139.8 Ų | 139.8 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | | | cis | 171.9 | 172.7 | -4.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 533 | T | 30.6 | Very low | 34.1 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | | | trans | 59.9 | 126 | 161.5 | 56.1 | 0 | 0 | 0 | 0 | 123.7 | | |
| 534 | S | 28.8 | Very low | 34.1 | Very low | 109 Ų | 109 | 143.9 Ų | 143.9 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | | | trans | 100.1 | 130.8 | 130.7 | -71.3 | 0 | 0 | 0 | 0 | 124.8 | | |
| 535 | R | 30.4 | Very low | 33.9 | Very low | 245 Ų | 245 | 148.5 Ų | 148.5 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | | | trans | 70.2 | 124.6 | 145.9 | -75 | -178 | 168.2 | -137.9 | -0.9 | 122.6 | | |
| 536 | S | 31.2 | Very low | 33.7 | Very low | 117 Ų | 117 | 153.3 Ų | 153.3 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | | -166 | 165.4 | 118.8 | 62.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 537 | S | 32.3 | Very low | 34.2 | Very low | 116 Ų | 116 | 150.2 Ų | 150.2 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | | | trans | -158.9 | 150.2 | 172.2 | -55.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 538 | P | 44.3 | Very low | 33.9 | Very low | 129 Ų | 129 | 149.5 Ų | 149.5 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | | | | -145.7 | -175 | 129.5 | 34 | -15.3 | 0 | 0 | 0 | 115.2 | | |
| 539 | K | 31.9 | Very low | 32.9 | Very low | 198 Ų | 198 | 149.6 Ų | 149.6 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | | | trans | -117 | -158 | 174 | -48.9 | 173.8 | 179.8 | 174.5 | 0 | 107.9 | | |
| 540 | P | 49.2 | Very low | 33.1 | Very low | 108 Ų | 108 | 148.4 Ų | 148.4 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | | | cis | -142.8 | 169.5 | -17.5 | 39.3 | -20 | 0 | 0 | 0 | 118.2 | | |
| 541 | K | 32.2 | Very low | 33 | Very low | 198 Ų | 198 | 151.5 Ų | 151.5 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | | | trans | 72.9 | 168.3 | 142.5 | -80.6 | 175.6 | 178.7 | -173.1 | 0 | 123 | | |
| 542 | Q | 30.5 | Very low | 33.2 | Very low | 177 Ų | 177 | 151.7 Ų | 151.7 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | | | trans | 80.6 | 145.2 | -177.5 | -56.9 | -72.2 | 43.1 | 0 | 0 | 115.4 | | |
| 543 | L | 28.5 | Very low | 33.3 | Very low | 155 Ų | 155 | 154.4 Ų | 154.4 | 81% | 0.812 | 83% | 0.828 | S | S | * | * | | | cis | -143.9 | 166.7 | -2.6 | -173.5 | 58.8 | 0 | 0 | 0 | 110.5 | | |
| 544 | L | 33.8 | Very low | 33.3 | Very low | 150 Ų | 150 | 152.7 Ų | 152.7 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | | | trans | -105.2 | 132.7 | 179.1 | 169.7 | 70.7 | 0 | 0 | 0 | 112.8 | | |
| 545 | Q | 31 | Very low | 34 | Very low | 193 Ų | 193 | 153 Ų | 153 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | | | trans | -161.8 | 158.2 | 147.6 | -116.4 | 167.5 | 18.2 | 0 | 0 | 114.2 | | |
| 546 | K | 32.5 | Very low | 34 | Very low | 191 Ų | 191 | 146.5 Ų | 146.5 | 83% | 0.83 | 81% | 0.812 | S | S | * | * | | | trans | -134.6 | 153.1 | 177.4 | -98.9 | -176.1 | 177.7 | -177.8 | 0 | 106.1 | | |
| 547 | P | 43.9 | Very low | 34 | Very low | 117 Ų | 117 | 150.2 Ų | 150.2 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | | | | -156.8 | 166.9 | 80 | 41.1 | -20.3 | 0 | 0 | 0 | 119.1 | | |
| 548 | T | 29.3 | Very low | 34.1 | Very low | 140 Ų | 140 | 151.4 Ų | 151.4 | 86% | 0.859 | 81% | 0.811 | S | S | * | * | | | trans | 40.4 | 116.9 | 140.4 | -52.8 | 0 | 0 | 0 | 0 | 122.3 | | |
| 549 | A | 27.8 | Very low | 33.6 | Very low | 99 Ų | 99 | 156.1 Ų | 156.1 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | | -164.1 | 144.2 | 116.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 550 | L | 34.2 | Very low | 33.7 | Very low | 174 Ų | 174 | 152.7 Ų | 152.7 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | | | trans | -108.6 | 130.4 | 169.8 | -74.1 | 166.7 | 0 | 0 | 0 | 109.4 | | |
| 551 | R | 30.5 | Very low | 33.1 | Very low | 248 Ų | 248 | 153.7 Ų | 153.7 | 94% | 0.936 | 81% | 0.814 | S | S | * | * | | | trans | -161.7 | 131.4 | 148.8 | -128.6 | 177.5 | -175.8 | 125.9 | 4.7 | 113.7 | | |
| 552 | V | 34.3 | Very low | 33.1 | Very low | 115 Ų | 115 | 149 Ų | 149 | 70% | 0.697 | 81% | 0.812 | S | S | * | * | | | trans | -86.7 | 147.3 | 159 | 175.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 553 | P | 32.6 | Very low | 33.4 | Very low | 124 Ų | 124 | 146.5 Ų | 146.5 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | | | trans | -130.6 | 133.9 | 133.6 | 34.9 | -25.9 | 0 | 0 | 0 | 112.2 | | |
| 554 | S | 30.6 | Very low | 34.3 | Very low | 104 Ų | 104 | 145.1 Ų | 145.1 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | | | trans | -95.3 | -163.6 | 167.3 | -50.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 555 | P | 44.1 | Very low | 34.1 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | | | | -95.6 | 163.3 | -122.2 | 39.9 | -31 | 0 | 0 | 0 | 114.5 | | |
| 556 | S | 28.6 | Very low | 34.6 | Very low | 108 Ų | 108 | 140.2 Ų | 140.2 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | | | trans | 153 | 128.5 | 131 | -74.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 557 | K | 31.8 | Very low | 34.7 | Very low | 195 Ų | 195 | 139.6 Ų | 139.6 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | | | | -176.7 | 137.1 | 118.1 | -102.1 | 161.9 | -175.3 | 173 | 0 | 114.1 | | |
| 558 | L | 33.7 | Very low | 34.3 | Very low | 142 Ų | 142 | 138.8 Ų | 138.8 | 74% | 0.743 | 81% | 0.814 | S | S | * | * | | | trans | 75.7 | 101 | 147 | -64.5 | 168.8 | 0 | 0 | 0 | 121 | | |
| 559 | R | 33.9 | Very low | 34.6 | Very low | 227 Ų | 227 | 139.3 Ų | 139.3 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | | | | 112.3 | 119.4 | 108.1 | -159.6 | 173.8 | -148.5 | 122.9 | 5 | 117.6 | | |
| 560 | T | 34.3 | Very low | 35.2 | Very low | 127 Ų | 127 | 146.6 Ų | 146.6 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | | | trans | -82.7 | 161.3 | 167.7 | 42.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 561 | P | 37.3 | Very low | 35.7 | Very low | 129 Ų | 129 | 145.4 Ų | 145.4 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | | | | -121.1 | 165.3 | 129.7 | 36.4 | -31.7 | 0 | 0 | 0 | 111.9 | | |
| 562 | A | 31.6 | Very low | 36.4 | Very low | 99 Ų | 99 | 139.8 Ų | 139.8 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -110.3 | 176.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 563 | T | 36.4 | Very low | 36.4 | Very low | 125 Ų | 125 | 140.1 Ų | 140.1 | 77% | 0.767 | 80% | 0.804 | S | S | * | * | | | trans | -63.8 | 149 | -178 | 47.3 | 0 | 0 | 0 | 0 | 115 | | |
| 564 | P | 48 | Very low | 36.3 | Very low | 125 Ų | 125 | 144 Ų | 144 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | | | trans | -93.8 | 128.4 | 164.1 | 34.4 | -29.3 | 0 | 0 | 0 | 112.7 | | |
| 565 | S | 30.2 | Very low | 36.2 | Very low | 115 Ų | 115 | 142.9 Ų | 142.9 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | -116.4 | 125.1 | 165.8 | -70.9 | 0 | 0 | 0 | 0 | 110 | | |
| 566 | P | 41 | Very low | 35.7 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | trans | -107.9 | 91.5 | 179.7 | 36.3 | -28.7 | 0 | 0 | 0 | 113.2 | | |
| 567 | L | 35.3 | Very low | 35.6 | Very low | 178 Ų | 178 | 143 Ų | 143 | 93% | 0.932 | 80% | 0.804 | S | S | * | * | | | trans | -133.7 | 107.9 | 157.4 | -82.1 | 177.6 | 0 | 0 | 0 | 109.3 | | |
| 568 | A | 35.3 | Very low | 35.5 | Very low | 99 Ų | 99 | 139.9 Ų | 139.9 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -144.2 | 135.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 569 | L | 35.4 | Very low | 36.2 | Very low | 152 Ų | 152 | 138.6 Ų | 138.6 | 80% | 0.796 | 80% | 0.802 | S | S | * | * | | | trans | -78.9 | 156.4 | -172 | -75.1 | 68 | 0 | 0 | 0 | 112.2 | | |
| 570 | R | 40.9 | Very low | 36 | Very low | 251 Ų | 251 | 133.6 Ų | 133.6 | 95% | 0.947 | 80% | 0.802 | S | S | * | * | | | trans | -120.6 | 117.6 | 147 | -67.2 | -173.8 | 71.2 | -160.3 | 1.7 | 109.1 | | |
| 571 | Q | 44.1 | Very low | 35.7 | Very low | 150 Ų | 150 | 133.2 Ų | 133.2 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | | | trans | -115.3 | 155.8 | 159 | -75.6 | -165.5 | -5.9 | 0 | 0 | 109.1 | | |
| 572 | P | 44.8 | Very low | 35.5 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | | | trans | -114.7 | 161.4 | 134.9 | 35.4 | -30 | 0 | 0 | 0 | 110.8 | | |
| 573 | V | 35.4 | Very low | 35.4 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 74% | 0.739 | 80% | 0.8 | S | S | * | * | | | trans | -111.4 | 154.2 | -167.4 | -69.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 574 | K | 30.1 | Very low | 35.2 | Very low | 205 Ų | 205 | 132.6 Ų | 132.6 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | | | | 139.2 | 153.2 | 120.6 | -163.7 | 171 | -176.7 | -179 | 0 | 114.4 | | |
| 575 | A | 28.7 | Very low | 34.5 | Very low | 82 Ų | 82 | 132.9 Ų | 132.9 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | | | trans | 96.1 | 89.8 | 157.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 576 | T | 32.1 | Very low | 35.4 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | | 85.1 | 127.8 | 116.4 | -149.4 | 0 | 0 | 0 | 0 | 123.5 | | |
| 577 | S | 27.8 | Very low | 35 | Very low | 98 Ų | 98 | 132.3 Ų | 132.3 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | | | trans | 55.1 | 123.9 | 138.8 | 59.3 | 0 | 0 | 0 | 0 | 122.9 | | |
| 578 | T | 30.3 | Very low | 35 | Very low | 131 Ų | 131 | 135.1 Ų | 135.1 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | -68.3 | -175.4 | 148 | 55.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 579 | P | 47.7 | Very low | 34.9 | Very low | 115 Ų | 115 | 135 Ų | 135 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | | | cis | -133.5 | 179.6 | -1.1 | 43.1 | -27.4 | 0 | 0 | 0 | 115.1 | | |
| 580 | S | 28.5 | Very low | 34.9 | Very low | 122 Ų | 122 | 135 Ų | 135 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | | | trans | -167.9 | 140.7 | 141.3 | 22.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 581 | S | 29.4 | Very low | 34.8 | Very low | 118 Ų | 118 | 127.2 Ų | 127.2 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | | | trans | -117.8 | 174.4 | 170.9 | -68.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 582 | A | 33.3 | Very low | 34.7 | Very low | 94 Ų | 94 | 125.8 Ų | 125.8 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | | | trans | 71.8 | 156.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 583 | T | 28.7 | Very low | 34.8 | Very low | 128 Ų | 128 | 125.6 Ų | 125.6 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | | | cis | -165.8 | 133.9 | -24.5 | -93.1 | 0 | 0 | 0 | 0 | 108 | | |
| 584 | S | 33 | Very low | 34.8 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | | | trans | -176.8 | 126.2 | 141.2 | 31 | 0 | 0 | 0 | 0 | 112.8 | | |
| 585 | T | 33.1 | Very low | 35 | Very low | 130 Ų | 130 | 127.3 Ų | 127.3 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | | | trans | -112.4 | -171 | 159.6 | 56.2 | 0 | 0 | 0 | 0 | 107 | | |
| 586 | P | 48.5 | Very low | 35.2 | Very low | 107 Ų | 107 | 127 Ų | 127 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | | | cis | -114.3 | -175 | -31.9 | 19.3 | 5.3 | 0 | 0 | 0 | 109.6 | | |
| 587 | T | 32.2 | Very low | 35.7 | Very low | 123 Ų | 123 | 129.4 Ų | 129.4 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | | -176.9 | 144.7 | 70.4 | 36.7 | 0 | 0 | 0 | 0 | 114 | | |
| 588 | R | 35.8 | Very low | 36.5 | Very low | 236 Ų | 236 | 130.4 Ų | 130.4 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | | | trans | 50.3 | 121.8 | 132.4 | -155.5 | 175.7 | -168.4 | -114 | 1.8 | 117.3 | | |
| 589 | S | 32.1 | Very low | 36.7 | Very low | 96 Ų | 96 | 135.1 Ų | 135.1 | 67% | 0.671 | 80% | 0.802 | S | S | * | * | | | cis | -177.2 | -173 | 9.4 | -104.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 590 | L | 36.9 | Very low | 36.3 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 80% | 0.801 | 80% | 0.804 | S | S | * | * | | | cis | -161 | 151.3 | 4.6 | -129 | 162.2 | 0 | 0 | 0 | 110.2 | | |
| 591 | A | 37.4 | Very low | 36.5 | Very low | 87 Ų | 87 | 135.4 Ų | 135.4 | 72% | 0.719 | 80% | 0.804 | S | S | * | * | | | trans | 64.6 | 159.1 | 152.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 592 | P | 43.4 | Very low | 36.8 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | | | trans | -106.2 | 168.3 | -162.2 | 5 | 19.3 | 0 | 0 | 0 | 116 | | |
| 593 | P | 46.3 | Very low | 36.9 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | | | trans | -85.4 | 159.5 | -173.3 | 35.3 | -37.3 | 0 | 0 | 0 | 114.7 | | |
| 594 | R | 35.4 | Very low | 37.2 | Very low | 243 Ų | 243 | 134.4 Ų | 134.4 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | | | trans | -136.3 | 144.3 | 165.1 | -60.5 | -168.5 | 85.1 | 156.2 | 4.9 | 112.9 | | |
| 595 | S | 34.4 | Very low | 37.2 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | | | trans | -41.8 | 144.7 | 178.4 | 52.1 | 0 | 0 | 0 | 0 | 118.5 | | |
| 596 | G | 32.3 | Very low | 37.3 | Very low | 76 Ų | 76 | 130.5 Ų | 130.5 | 78% | 0.784 | 82% | 0.821 | S | S | * | * | | | trans | -153.5 | 116.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 597 | L | 42.8 | Very low | 36.8 | Very low | 175 Ų | 175 | 129.1 Ų | 129.1 | 92% | 0.916 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 133.7 | 176.2 | -77 | 163.9 | 0 | 0 | 0 | 111 | | |
| 598 | P | 44.2 | Very low | 37.1 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 78% | 0.779 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 132.3 | 160.5 | 32.2 | -30.3 | 0 | 0 | 0 | 110.8 | | |
| 599 | R | 36.3 | Very low | 37.3 | Very low | 230 Ų | 230 | 124.9 Ų | 124.9 | 87% | 0.868 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -86 | 139 | 177.7 | -179.8 | -178.1 | 179.7 | 177.4 | 0.6 | 110.3 | | |
| 600 | P | 37.5 | Very low | 37.8 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 139.8 | 176.4 | 29.8 | -34.7 | 0 | 0 | 0 | 111.5 | | |
| 601 | S | 33.3 | Very low | 37.8 | Very low | 124 Ų | 124 | 126.1 Ų | 126.1 | 87% | 0.867 | 83% | 0.827 | S | S | * | * | | | trans | -104.2 | 130.6 | 168.7 | -65.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 602 | A | 35.5 | Very low | 37.6 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 88% | 0.884 | 84% | 0.835 | S | S | * | * | | | trans | -96.4 | 141.2 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 603 | A | 35 | Very low | 37.3 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 87% | 0.868 | 83% | 0.831 | S | S | * | * | | | trans | -112.3 | 156.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 604 | A | 35.4 | Very low | 36.9 | Very low | 106 Ų | 106 | 135.9 Ų | 135.9 | 88% | 0.876 | 84% | 0.835 | S | S | * | * | | | trans | -115.5 | 157 | -155.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 605 | G | 34 | Very low | 36.8 | Very low | 85 Ų | 85 | 131.1 Ų | 131.1 | 88% | 0.876 | 83% | 0.827 | S | S | * | * | | | trans | 94.9 | 158.5 | 149.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 606 | G | 34.1 | Very low | 36.9 | Very low | 83 Ų | 83 | 130 Ų | 130 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | | | trans | 113.9 | 119.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 607 | G | 37.6 | Very low | 37.5 | Very low | 78 Ų | 78 | 133.5 Ų | 133.5 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | | | trans | -85.5 | 158.9 | 170 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 608 | I | 39.9 | Very low | 37.1 | Very low | 151 Ų | 151 | 130.5 Ų | 130.5 | 77% | 0.774 | 81% | 0.811 | S | S | * | * | | | trans | -68.4 | 152.3 | -179.8 | -11.1 | 177.7 | 0 | 0 | 0 | 111.6 | L610 | I608-L610 HydrophobicContact CG2-CD1 4.03Š|
| 609 | P | 38.8 | Very low | 36.8 | Very low | 118 Ų | 118 | 131.3 Ų | 131.3 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | | | | -139.9 | 162.3 | 92.8 | 38.1 | -25.4 | 0 | 0 | 0 | 115.2 | | |
| 610 | L | 43.3 | Very low | 36.8 | Very low | 149 Ų | 149 | 131.1 Ų | 131.1 | 78% | 0.78 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 137.9 | -179 | -64 | 83.1 | 0 | 0 | 0 | 112.8 | I608 | I608-L610 HydrophobicContact CG2-CD1 4.03Š|
| 611 | P | 37.3 | Very low | 36.8 | Very low | 127 Ų | 127 | 137 Ų | 137 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 159.5 | 154.4 | 34 | -31.8 | 0 | 0 | 0 | 111.7 | | |
| 612 | R | 33.3 | Very low | 36.9 | Very low | 234 Ų | 234 | 136.1 Ų | 136.1 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -103.9 | 135.2 | -168.3 | -64.4 | 162.9 | 66 | 131.1 | -6.1 | 113.8 | | |
| 613 | S | 37 | Very low | 37.3 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | | | trans | 47.1 | 122.8 | 140.9 | 64.1 | 0 | 0 | 0 | 0 | 121.8 | | |
| 614 | K | 37 | Very low | 37.4 | Very low | 202 Ų | 202 | 139.1 Ų | 139.1 | 88% | 0.878 | 81% | 0.806 | S | S | * | * | | | trans | -165.1 | 96 | 133.7 | -102.2 | 159 | -174.4 | -179.8 | 0 | 107.7 | | |
| 615 | L | 34.3 | Very low | 37.6 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | | | | 84.2 | 92.4 | 82.8 | -174.6 | 70.4 | 0 | 0 | 0 | 112.9 | Q617 | L615-Q617 HydrophobicContact CD1-CG 3.91Š|
| 616 | A | 36.2 | Very low | 37.7 | Very low | 96 Ų | 96 | 140.1 Ų | 140.1 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | | | trans | -131.1 | 132.5 | 152.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 617 | Q | 43.9 | Very low | 37.8 | Very low | 150 Ų | 150 | 145.9 Ų | 145.9 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | | | trans | -104.8 | 115.2 | -172.6 | -74.8 | -84.6 | -13.8 | 0 | 0 | 111.1 | L615 | L615-Q617 HydrophobicContact CD1-CG 3.91Š|
| 618 | P | 35.7 | Very low | 37.8 | Very low | 112 Ų | 112 | 148.1 Ų | 148.1 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | -78.8 | 136 | 156.4 | 31.7 | -30.3 | 0 | 0 | 0 | 109.8 | R620 | P618-R620 PolarHBondContact O-N 3.11Š|
| 619 | V | 36.6 | Very low | 37.7 | Very low | 137 Ų | 137 | 150.4 Ų | 150.4 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | | | trans | -59.7 | 126.6 | -170.6 | 175.7 | 0 | 0 | 0 | 0 | 112.7 | R621 | V619-R621 PolarHBondContact O-N 3.03Š|
| 620 | R | 36.8 | Very low | 37.5 | Very low | 227 Ų | 227 | 148 Ų | 148 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | | | trans | -67.5 | 95.8 | 166.8 | -80.7 | -172.3 | 169.3 | -136.2 | -0.9 | 110.9 | P618 S622 | P618-R620 PolarHBondContact O-N 3.11Å; R620-S622 PolarHBondContact O-N 3.14Å |
| 621 | R | 37.7 | Very low | 37.4 | Very low | 241 Ų | 241 | 146.9 Ų | 146.9 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | | | trans | -79.4 | 94.8 | 149.6 | -86.5 | -172.6 | 168.3 | -178.3 | -3.2 | 108.5 | V619 L623 | V619-R621 PolarHBondContact O-N 3.03Å; R621-L623 PolarHBondContact O-N 3.23Å; R621-L623 VanDerWaalsContact O-N 3.16Å |
| 622 | S | 35.7 | Very low | 37.5 | Very low | 107 Ų | 107 | 147.7 Ų | 147.7 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | trans | -71.4 | 102.2 | 171.7 | 51 | 0 | 0 | 0 | 0 | 110.1 | R620 | R620-S622 PolarHBondContact O-N 3.14Š|
| 623 | L | 42.8 | Very low | 37.7 | Very low | 158 Ų | 158 | 139.6 Ų | 139.6 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 137.6 | 160.3 | -66.2 | 174 | 0 | 0 | 0 | 108.6 | R621 | R621-L623 PolarHBondContact O-N 3.23Å; R621-L623 VanDerWaalsContact O-N 3.16Å |
| 624 | P | 39 | Very low | 38.2 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 146.8 | 175.1 | 29 | -34.2 | 0 | 0 | 0 | 110.4 | | |
| 625 | A | 37.8 | Very low | 38.6 | Very low | 91 Ų | 91 | 138.7 Ų | 138.7 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 138.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | R627 | A625-R627 PolarHBondContact O-N 3.33Š|
| 626 | P | 36.3 | Very low | 39.3 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 121.9 | 176.9 | 26.5 | -33.2 | 0 | 0 | 0 | 109.8 | S628 | P626-S628 PolarHBondContact O-N 3.21Š|
| 627 | R | 36.8 | Very low | 40 | Very low | 205 Ų | 205 | 145.3 Ų | 145.3 | 77% | 0.774 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 126.6 | 167.2 | -88.6 | -177.9 | 162.7 | -171.8 | -4.2 | 108.9 | A625 Y629 | A625-R627 PolarHBondContact O-N 3.33Å; R627-Y629 HydrophobicContact CB-CD2 4.26Å; R627-Y629 HydrophobicContact CB-CE2 4.23Å; R627-Y629 PolarHBondContact O-N 3.27Å |
| 628 | S | 36.9 | Very low | 40.2 | Very low | 125 Ų | 125 | 145.7 Ų | 145.7 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | trans | -68.3 | 94.2 | 169.5 | -49.5 | 0 | 0 | 0 | 0 | 110.1 | P626 | P626-S628 PolarHBondContact O-N 3.21Š|
| 629 | Y | 37.6 | Very low | 41 | Very low | 199 Ų | 199 | 143.8 Ų | 143.8 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | | | trans | -81.2 | 123.4 | 156.8 | -83.5 | -90.9 | 0 | 0 | 0 | 107.8 | R627 | R627-Y629 HydrophobicContact CB-CD2 4.26Å; R627-Y629 HydrophobicContact CB-CE2 4.23Å; R627-Y629 PolarHBondContact O-N 3.27Å |
| 630 | G | 35.2 | Very low | 41.4 | Very low | 68 Ų | 68 | 143.4 Ų | 143.4 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | | | trans | -90 | 148.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 631 | S | 42 | Very low | 41.5 | Very low | 125 Ų | 125 | 147.4 Ų | 147.4 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | | | trans | 65.7 | 67.2 | 147.9 | -172.5 | 0 | 0 | 0 | 0 | 118.9 | | |
| 632 | T | 39 | Very low | 41.7 | Very low | 144 Ų | 144 | 142.8 Ų | 142.8 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | | | trans | -147.2 | 132.3 | 149.6 | -33.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 633 | G | 36.8 | Very low | 42.1 | Very low | 63 Ų | 63 | 144.6 Ų | 144.6 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | | | trans | 82.1 | 109.8 | 147.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | N635 | G633-N635 PolarHBondContact O-N 2.92Š|
| 634 | D | 47.8 | Very low | 42 | Very low | 148 Ų | 148 | 143.9 Ų | 143.9 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | | | trans | -62.2 | 109.8 | 156.1 | -65.3 | -96.9 | 0 | 0 | 0 | 110.5 | | |
| 635 | N | 46.4 | Very low | 42.2 | Very low | 137 Ų | 137 | 145.5 Ų | 145.5 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | | | trans | -138.7 | 58.2 | -173.9 | -138.1 | 65 | 0 | 0 | 0 | 112.7 | G633 | G633-N635 PolarHBondContact O-N 2.92Š|
| 636 | W | 49.2 | Very low | 42.5 | Very low | 187 Ų | 187 | 148.9 Ų | 148.9 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | | | trans | -107.6 | 14.1 | -177.7 | 56 | -94.4 | 0 | 0 | 0 | 114.5 | | |
| 637 | R | 50.4 | Low | 42.9 | Very low | 191 Ų | 191 | 150.8 Ų | 150.8 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | | | trans | -107.6 | -24.9 | -171.5 | -78.9 | -170.4 | 168.1 | -85.8 | 2.7 | 116.7 | G639 | R637-G639 PolarHBondContact O-N 3.16Š|
| 638 | E | 48.4 | Very low | 43.3 | Very low | 157 Ų | 157 | 146.9 Ų | 146.9 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | | | trans | -87.2 | 102.5 | 174.3 | -71.6 | 63.1 | -134.6 | 0 | 0 | 110.9 | | |
| 639 | G | 52.1 | Low | 43.8 | Very low | 73 Ų | 73 | 148.6 Ų | 148.6 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | | | trans | -174.8 | 8.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | R637 | R637-G639 PolarHBondContact O-N 3.16Š|
| 640 | C | 44.9 | Very low | 44.3 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | | | trans | -140.8 | 113.4 | 174.4 | -74.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 641 | Y | 39.6 | Very low | 45.1 | Very low | 311 Ų | 311 | 151.4 Ų | 151.4 | 100% | 1.22 | 81% | 0.813 | S | S | * | * | | | trans | -140.7 | 0 | 164 | -106.1 | -71.3 | 0 | 0 | 0 | 107.7 | | |