| 1 | M | 42.9 | Very low | 51.9 | Low | 239 Ų | 239 | 156.1 Ų | 156.1 | 100% | 1.177 | 86% | 0.863 | S | S | * | * | | | | 0 | 95.6 | 0 | -70.8 | -175.6 | 166.3 | 0 | 0 | 107.5 | | |
| 2 | S | 45.3 | Very low | 52 | Low | 126 Ų | 126 | 151.6 Ų | 151.6 | 88% | 0.881 | 85% | 0.85 | S | S | * | * | | | trans | -99.7 | 102.7 | -178.6 | -57.8 | 0 | 0 | 0 | 0 | 108.4 | S4 | S2-S4 PolarHBondContact O-N 3.22Š|
| 3 | L | 54.6 | Low | 53.1 | Low | 174 Ų | 174 | 153.9 Ų | 153.9 | 91% | 0.911 | 85% | 0.85 | S | S | * | * | | | trans | -78.6 | 98.2 | 172.5 | -66.9 | 171 | 0 | 0 | 0 | 107.9 | R5 | L3-R5 PolarHBondContact O-N 3.19Š|
| 4 | S | 48.9 | Very low | 54.8 | Low | 122 Ų | 122 | 151.6 Ų | 151.6 | 85% | 0.853 | 84% | 0.843 | S | S | * | * | | | trans | -72 | 104.5 | 168.7 | -168.7 | 0 | 0 | 0 | 0 | 108.4 | S2 A6 | S2-S4 PolarHBondContact O-N 3.22Å; S4-A6 PolarHBondContact O-N 3.49Å |
| 5 | R | 58.8 | Low | 56.5 | Low | 239 Ų | 239 | 146.5 Ų | 146.5 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | | | trans | -80.9 | 110.3 | 173.7 | -178.4 | 171.6 | -178.9 | -174.5 | -0.9 | 108.1 | L3 | L3-R5 PolarHBondContact O-N 3.19Š|
| 6 | A | 61.2 | Low | 58.8 | Low | 83 Ų | 83 | 140.4 Ų | 140.4 | 69% | 0.686 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 144.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | S4 | S4-A6 PolarHBondContact O-N 3.49Š|
| 7 | P | 52 | Low | 60.8 | Low | 118 Ų | 118 | 137.7 Ų | 137.7 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 137 | 178.1 | 31.2 | -30.7 | 0 | 0 | 0 | 110.5 | R9 | P7-R9 PolarHBondContact O-N 3.43Š|
| 8 | A | 52.8 | Low | 62.7 | Low | 94 Ų | 94 | 141.4 Ų | 141.4 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 129 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | D10 | A8-D10 PolarHBondContact O-N 3.15Š|
| 9 | R | 53.9 | Low | 64.5 | Low | 232 Ų | 232 | 138.8 Ų | 138.8 | 88% | 0.875 | 76% | 0.76 | S | S | * | * | | | trans | -71.6 | 115.6 | 173.2 | -74.8 | -77.1 | 173.7 | 165.5 | -2.9 | 108.1 | P7 T11 | P7-R9 PolarHBondContact O-N 3.43Å; R9-T11 PolarHBondContact O-N 3.31Å; R9-T11 VanDerWaalsContact O-N 3.15Å |
| 10 | D | 47 | Very low | 66.1 | Low | 151 Ų | 151 | 140.3 Ų | 140.3 | 81% | 0.807 | 75% | 0.754 | S | S | * | * | | | trans | -56.3 | 111.6 | 169.2 | -76.5 | -55.8 | 0 | 0 | 0 | 109.9 | A8 S12 | A8-D10 PolarHBondContact O-N 3.15Å; D10-S12 PolarHBondContact O-N 3.19Å |
| 11 | T | 53.7 | Low | 67.6 | Low | 139 Ų | 139 | 138.4 Ų | 138.4 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | | | trans | -86.1 | 65 | 169.8 | 56.4 | 0 | 0 | 0 | 0 | 108.9 | R9 | R9-T11 PolarHBondContact O-N 3.31Å; R9-T11 VanDerWaalsContact O-N 3.15Å |
| 12 | S | 53 | Low | 70.2 | Confident | 102 Ų | 102 | 134.8 Ų | 134.8 | 71% | 0.713 | 72% | 0.716 | S | S | * | * | | | trans | -106.7 | 51.4 | 165.9 | 55.4 | 0 | 0 | 0 | 0 | 109.2 | D10 T14 | D10-S12 PolarHBondContact O-N 3.19Å; S12-T14 PolarHBondContact O-N 3.09Å |
| 13 | E | 66.1 | Low | 72.7 | Confident | 182 Ų | 182 | 132.3 Ų | 132.3 | 85% | 0.85 | 70% | 0.699 | S | S | * | * | | | trans | -83.8 | 102.8 | -179.9 | -160 | 167.3 | -177 | 0 | 0 | 108.6 | | |
| 14 | T | 76.8 | Confident | 74.8 | Confident | 122 Ų | 122 | 129.6 Ų | 129.6 | 75% | 0.748 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 131.1 | 168.7 | 38.2 | 0 | 0 | 0 | 0 | 108.6 | S12 S16 | S12-T14 PolarHBondContact O-N 3.09Å; T14-S16 PolarHBondContact O-N 3.25Å |
| 15 | P | 81.1 | Confident | 77.1 | Confident | 74 Ų | 74 | 129 Ų | 129 | 48% | 0.481 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 128.1 | -170.4 | 22.8 | -32.7 | 0 | 0 | 0 | 109.8 | E19 R20 | P15-E19 HydrophobicContact CB-CB 4.33Å; P15-E19 HydrophobicContact CB-CG 4.28Å; P15-R20 HydrophobicContact CB-CG 4.29Å; P15-R20 HydrophobicContact CG-CG 4.25Å |
| 16 | S | 92.2 | Very high | 79 | Confident | 49 Ų | 49 | 124 Ų | 124 | 34% | 0.343 | 65% | 0.651 | S | S | . | * | P | Polyproline II helix | trans | -59.6 | 155.9 | -178.4 | 81.5 | 0 | 0 | 0 | 0 | 110.6 | T14 R18 E19 R20 | T14-S16 PolarHBondContact O-N 3.25Å; S16-R18 PolarHBondContact O-N 3.49Å; S16-R18 VanDerWaalsContact O-N 3.11Å; S16-E19 WeakPolarHBondContact O-CA 3.38Å; S16-E19 WeakPolarHBondContact O-CB 3.37Å; S16-E19 PolarHBondContact O-N 2.95Å; S16-E19 PolarHBondContact OG-N 3.05Å; S16-R20 PolarHBondContact O-N 3.36Å |
| 17 | P | 93.3 | Very high | 80.8 | Confident | 95 Ų | 95 | 124.6 Ų | 124.6 | 62% | 0.617 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -51.6 | -38.2 | 177 | -28.2 | 35.2 | 0 | 0 | 0 | 113.4 | E19 R20 I21 | P17-E19 VanDerWaalsContact C-N 3.32Å; P17-E19 PolarHBondContact O-N 3.33Å; P17-R20 PolarHBondContact O-N 3.29Å; P17-I21 VanDerWaalsContact O-CG1 3.31Å; P17-I21 WeakPolarHBondContact O-CG1 3.37Å; P17-I21 PolarHBondContact O-N 3.36Å |
| 18 | R | 95.4 | Very high | 83 | Confident | 204 Ų | 204 | 121.5 Ų | 121.5 | 77% | 0.77 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.8 | -36.7 | 175.7 | -77.4 | -172.8 | -92.8 | -152.3 | -5.7 | 112.6 | S16 R22 | S16-R18 PolarHBondContact O-N 3.49Å; S16-R18 VanDerWaalsContact O-N 3.11Å; R18-R22 WeakPolarHBondContact O-CG 3.36Å; R18-R22 PolarHBondContact O-N 3.03Å |
| 19 | E | 96.2 | Very high | 85.2 | Confident | 92 Ų | 92 | 121.1 Ų | 121.1 | 43% | 0.43 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -72.7 | -36.9 | 177.2 | -171.5 | 164.1 | -149 | 0 | 0 | 112.4 | P15 S16 P17 I21 R22 S23 | P15-E19 HydrophobicContact CB-CB 4.33Å; P15-E19 HydrophobicContact CB-CG 4.28Å; S16-E19 WeakPolarHBondContact O-CA 3.38Å; S16-E19 WeakPolarHBondContact O-CB 3.37Å; S16-E19 PolarHBondContact O-N 2.95Å; S16-E19 PolarHBondContact OG-N 3.05Å; P17-E19 VanDerWaalsContact C-N 3.32Å; P17-E19 PolarHBondContact O-N 3.33Å; E19-I21 VanDerWaalsContact C-N 3.33Å; E19-I21 PolarHBondContact O-N 2.87Å; E19-R22 PolarHBondContact O-N 3.32Å; E19-S23 WeakPolarHBondContact O-CB 3.39Å; E19-S23 PolarHBondContact O-N 3Å |
| 20 | R | 96.1 | Very high | 87.3 | Confident | 169 Ų | 169 | 114 Ų | 114 | 64% | 0.638 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.9 | -42.8 | 171.9 | -64.9 | 176.2 | 62.6 | -144.9 | -3.2 | 111.7 | P15 S16 P17 S23 H24 | P15-R20 HydrophobicContact CB-CG 4.29Å; P15-R20 HydrophobicContact CG-CG 4.25Å; S16-R20 PolarHBondContact O-N 3.36Å; P17-R20 PolarHBondContact O-N 3.29Å; R20-S23 PolarHBondContact O-N 3.22Å; R20-H24 WeakPolarHBondContact O-CB 3.44Å; R20-H24 PolarHBondContact O-N 3.27Å |
| 21 | I | 97.5 | Very high | 89.8 | Confident | 100 Ų | 100 | 112.5 Ų | 112.5 | 51% | 0.513 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.5 | -48.7 | 175.6 | -65.5 | 162.9 | 0 | 0 | 0 | 110.5 | P17 E19 S23 H24 M25 | P17-I21 VanDerWaalsContact O-CG1 3.31Å; P17-I21 WeakPolarHBondContact O-CG1 3.37Å; P17-I21 PolarHBondContact O-N 3.36Å; E19-I21 VanDerWaalsContact C-N 3.33Å; E19-I21 PolarHBondContact O-N 2.87Å; I21-S23 VanDerWaalsContact C-N 3.33Å; I21-S23 PolarHBondContact O-N 3.44Å; I21-H24 PolarHBondContact O-N 3.11Å; I21-M25 HydrophobicContact CG2-CG 4.41Å; I21-M25 HydrophobicContact CG2-SD 4.08Å; I21-M25 WeakPolarHBondContact O-CG 3.22Å; I21-M25 PolarHBondContact O-N 3.39Å |
| 22 | R | 97.8 | Very high | 91.9 | Very high | 164 Ų | 164 | 110.5 Ų | 110.5 | 62% | 0.619 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.1 | -42.9 | 177.2 | -72.4 | -173.4 | -59.8 | 172.8 | 4.8 | 112.6 | R18 E19 M25 K26 | R18-R22 WeakPolarHBondContact O-CG 3.36Å; R18-R22 PolarHBondContact O-N 3.03Å; E19-R22 PolarHBondContact O-N 3.32Å; R22-M25 PolarHBondContact O-N 3.43Å; R22-K26 WeakPolarHBondContact O-CB 3.31Å; R22-K26 PolarHBondContact O-N 2.87Å |
| 23 | S | 98 | Very high | 94.1 | Very high | 74 Ų | 74 | 111.4 Ų | 111.4 | 52% | 0.517 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 177.1 | -177.2 | 0 | 0 | 0 | 0 | 111.6 | E19 R20 I21 K26 M27 | E19-S23 WeakPolarHBondContact O-CB 3.39Å; E19-S23 PolarHBondContact O-N 3Å; R20-S23 PolarHBondContact O-N 3.22Å; I21-S23 VanDerWaalsContact C-N 3.33Å; I21-S23 PolarHBondContact O-N 3.44Å; S23-K26 PolarHBondContact O-N 3.45Å; S23-M27 PolarHBondContact O-N 3.1Å |
| 24 | H | 98.1 | Very high | 95.6 | Very high | 117 Ų | 117 | 104.1 Ų | 104.1 | 54% | 0.542 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.3 | -46.7 | 176.9 | -172.4 | 61.3 | 0 | 0 | 0 | 112.1 | R20 I21 K26 M27 V28 | R20-H24 WeakPolarHBondContact O-CB 3.44Å; R20-H24 PolarHBondContact O-N 3.27Å; I21-H24 PolarHBondContact O-N 3.11Å; H24-K26 VanDerWaalsContact C-N 3.29Å; H24-K26 PolarHBondContact O-N 3.32Å; H24-M27 WeakPolarHBondContact O-CB 3.41Å; H24-M27 PolarHBondContact O-N 3.16Å; H24-M27 VanDerWaalsContact O-N 3.17Å; H24-V28 WeakPolarHBondContact O-CG2 3.47Å; H24-V28 PolarHBondContact O-N 3.15Å |
| 25 | M | 98.6 | Very high | 96.7 | Very high | 110 Ų | 110 | 102.4 Ų | 102.4 | 54% | 0.542 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.7 | -43 | 175.5 | -70.3 | 178 | 75.3 | 0 | 0 | 111.5 | I21 R22 M27 V28 I29 | I21-M25 HydrophobicContact CG2-CG 4.41Å; I21-M25 HydrophobicContact CG2-SD 4.08Å; I21-M25 WeakPolarHBondContact O-CG 3.22Å; I21-M25 PolarHBondContact O-N 3.39Å; R22-M25 PolarHBondContact O-N 3.43Å; M25-M27 VanDerWaalsContact C-N 3.34Å; M25-M27 PolarHBondContact O-N 2.97Å; M25-V28 PolarHBondContact O-N 3.4Å; M25-I29 WeakPolarHBondContact O-CD1 3.37Å; M25-I29 VanDerWaalsContact O-CG1 3.22Å; M25-I29 WeakPolarHBondContact O-CG1 3.39Å; M25-I29 PolarHBondContact O-N 3.13Å |
| 26 | K | 98.4 | Very high | 97.5 | Very high | 134 Ų | 134 | 104.4 Ų | 104.4 | 58% | 0.583 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.3 | -47.7 | 175.7 | -178.8 | 172.4 | -179.9 | 165.2 | 0 | 111.5 | R22 S23 H24 V28 I29 D30 | R22-K26 WeakPolarHBondContact O-CB 3.31Å; R22-K26 PolarHBondContact O-N 2.87Å; S23-K26 PolarHBondContact O-N 3.45Å; H24-K26 VanDerWaalsContact C-N 3.29Å; H24-K26 PolarHBondContact O-N 3.32Å; K26-V28 VanDerWaalsContact C-N 3.32Å; K26-V28 PolarHBondContact O-N 2.9Å; K26-I29 PolarHBondContact O-N 3.29Å; K26-D30 PolarHBondContact O-N 3.42Å |
| 27 | M | 98.5 | Very high | 97.8 | Very high | 95 Ų | 95 | 108.8 Ų | 108.8 | 47% | 0.468 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 177.2 | -173.8 | -167.3 | -49.3 | 0 | 0 | 112.2 | S23 H24 M25 I29 D30 Q31 | S23-M27 PolarHBondContact O-N 3.1Å; H24-M27 WeakPolarHBondContact O-CB 3.41Å; H24-M27 PolarHBondContact O-N 3.16Å; H24-M27 VanDerWaalsContact O-N 3.17Å; M25-M27 VanDerWaalsContact C-N 3.34Å; M25-M27 PolarHBondContact O-N 2.97Å; M27-I29 VanDerWaalsContact C-N 3.35Å; M27-D30 PolarHBondContact O-N 2.92Å; M27-Q31 WeakPolarHBondContact O-CG 3.41Å; M27-Q31 PolarHBondContact O-N 3.38Å |
| 28 | V | 98.6 | Very high | 98.1 | Very high | 53 Ų | 53 | 110.6 Ų | 110.6 | 32% | 0.321 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.4 | -43 | 177 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | H24 M25 K26 Q31 L32 | H24-V28 WeakPolarHBondContact O-CG2 3.47Å; H24-V28 PolarHBondContact O-N 3.15Å; M25-V28 PolarHBondContact O-N 3.4Å; K26-V28 VanDerWaalsContact C-N 3.32Å; K26-V28 PolarHBondContact O-N 2.9Å; V28-Q31 PolarHBondContact O-N 2.9Å; V28-L32 HydrophobicContact CG1-CD1 4Å; V28-L32 HydrophobicContact CG1-CG 4.39Å; V28-L32 VanDerWaalsContact O-CG 3.3Å; V28-L32 WeakPolarHBondContact O-CG 3.31Å; V28-L32 PolarHBondContact O-N 2.89Å |
| 29 | I | 98.6 | Very high | 98.2 | Very high | 85 Ų | 85 | 105.9 Ų | 105.9 | 44% | 0.436 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.9 | -49.1 | 176.3 | -68.3 | 162.6 | 0 | 0 | 0 | 110.2 | M25 K26 M27 Q31 L32 E33 | M25-I29 WeakPolarHBondContact O-CD1 3.37Å; M25-I29 VanDerWaalsContact O-CG1 3.22Å; M25-I29 WeakPolarHBondContact O-CG1 3.39Å; M25-I29 PolarHBondContact O-N 3.13Å; K26-I29 PolarHBondContact O-N 3.29Å; M27-I29 VanDerWaalsContact C-N 3.35Å; I29-Q31 VanDerWaalsContact C-N 3.26Å; I29-Q31 PolarHBondContact O-N 2.87Å; I29-L32 PolarHBondContact O-N 3.22Å; I29-L32 VanDerWaalsContact O-N 3.13Å; I29-E33 HydrophobicContact CG2-CG 4.46Å; I29-E33 WeakPolarHBondContact O-CG 3.41Å; I29-E33 PolarHBondContact O-N 3.24Å |
| 30 | D | 98.6 | Very high | 98.4 | Very high | 84 Ų | 84 | 108.9 Ų | 108.9 | 45% | 0.449 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.3 | -38.4 | 178.6 | -64 | -20.6 | 0 | 0 | 0 | 111.4 | K26 M27 G34 | K26-D30 PolarHBondContact O-N 3.42Å; M27-D30 PolarHBondContact O-N 2.92Å; D30-G34 PolarHBondContact O-N 3.39Å; D30-G34 VanDerWaalsContact O-N 3.14Å |
| 31 | Q | 98.7 | Very high | 98.5 | Very high | 118 Ų | 118 | 104.6 Ų | 104.6 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66 | -45.3 | 174.8 | -76.2 | -178.8 | -1.9 | 0 | 0 | 112.4 | M27 V28 I29 E33 G34 I35 | M27-Q31 WeakPolarHBondContact O-CG 3.41Å; M27-Q31 PolarHBondContact O-N 3.38Å; V28-Q31 PolarHBondContact O-N 2.9Å; I29-Q31 VanDerWaalsContact C-N 3.26Å; I29-Q31 PolarHBondContact O-N 2.87Å; Q31-E33 VanDerWaalsContact C-N 3.33Å; Q31-E33 PolarHBondContact O-N 3.21Å; Q31-G34 PolarHBondContact O-N 3.46Å; Q31-G34 VanDerWaalsContact O-N 3.17Å; Q31-I35 WeakPolarHBondContact O-CG1 3.45Å; Q31-I35 PolarHBondContact O-N 3.39Å |
| 32 | L | 98.8 | Very high | 98.5 | Very high | 97 Ų | 97 | 103.2 Ų | 103.2 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.7 | -38.8 | 178.2 | -71 | 172.7 | 0 | 0 | 0 | 111.7 | V28 I29 G34 I35 L36 | V28-L32 HydrophobicContact CG1-CD1 4Å; V28-L32 HydrophobicContact CG1-CG 4.39Å; V28-L32 VanDerWaalsContact O-CG 3.3Å; V28-L32 WeakPolarHBondContact O-CG 3.31Å; V28-L32 PolarHBondContact O-N 2.89Å; I29-L32 PolarHBondContact O-N 3.22Å; I29-L32 VanDerWaalsContact O-N 3.13Å; L32-G34 VanDerWaalsContact C-N 3.3Å; L32-G34 PolarHBondContact O-N 3.17Å; L32-I35 PolarHBondContact O-N 3.48Å; L32-L36 WeakPolarHBondContact O-CB 3.45Å; L32-L36 VanDerWaalsContact O-CG 3.31Å; L32-L36 WeakPolarHBondContact O-CG 3.44Å; L32-L36 PolarHBondContact O-N 3.14Å |
| 33 | E | 98.6 | Very high | 98.6 | Very high | 121 Ų | 121 | 98.1 Ų | 98.1 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.8 | -40.1 | 173 | -72.1 | -179.1 | 178.5 | 0 | 0 | 111.9 | I29 Q31 K37 | I29-E33 HydrophobicContact CG2-CG 4.46Å; I29-E33 WeakPolarHBondContact O-CG 3.41Å; I29-E33 PolarHBondContact O-N 3.24Å; Q31-E33 VanDerWaalsContact C-N 3.33Å; Q31-E33 PolarHBondContact O-N 3.21Å; E33-K37 PolarHBondContact O-N 2.93Å; E33-K37 VanDerWaalsContact O-N 3.12Å |
| 34 | G | 98.5 | Very high | 98.6 | Very high | 29 Ų | 29 | 101.7 Ų | 101.7 | 30% | 0.299 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.8 | -51.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D30 Q31 L32 L36 K37 E38 | D30-G34 PolarHBondContact O-N 3.39Å; D30-G34 VanDerWaalsContact O-N 3.14Å; Q31-G34 PolarHBondContact O-N 3.46Å; Q31-G34 VanDerWaalsContact O-N 3.17Å; L32-G34 VanDerWaalsContact C-N 3.3Å; L32-G34 PolarHBondContact O-N 3.17Å; G34-L36 VanDerWaalsContact C-N 3.34Å; G34-L36 PolarHBondContact O-N 2.99Å; G34-K37 WeakPolarHBondContact O-CB 3.3Å; G34-K37 PolarHBondContact O-N 3.12Å; G34-K37 VanDerWaalsContact O-N 3.16Å; G34-E38 PolarHBondContact O-N 3.32Å |
| 35 | I | 98.6 | Very high | 98.6 | Very high | 86 Ų | 86 | 102.1 Ų | 102.1 | 44% | 0.441 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 179.4 | -66 | 166.1 | 0 | 0 | 0 | 111.1 | Q31 L32 K37 E38 L39 | Q31-I35 WeakPolarHBondContact O-CG1 3.45Å; Q31-I35 PolarHBondContact O-N 3.39Å; L32-I35 PolarHBondContact O-N 3.48Å; I35-K37 VanDerWaalsContact C-N 3.26Å; I35-K37 PolarHBondContact O-N 3.46Å; I35-E38 PolarHBondContact O-N 3.25Å; I35-L39 HydrophobicContact CG2-CD1 4.02Å; I35-L39 HydrophobicContact CG2-CG 4.31Å; I35-L39 WeakPolarHBondContact O-CG 3.34Å; I35-L39 PolarHBondContact O-N 3.44Å |
| 36 | L | 98.8 | Very high | 98.7 | Very high | 117 Ų | 117 | 102 Ų | 102 | 61% | 0.613 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.1 | -37.2 | 178.2 | -76.9 | 170.1 | 0 | 0 | 0 | 112.2 | L32 G34 K40 | L32-L36 WeakPolarHBondContact O-CB 3.45Å; L32-L36 VanDerWaalsContact O-CG 3.31Å; L32-L36 WeakPolarHBondContact O-CG 3.44Å; L32-L36 PolarHBondContact O-N 3.14Å; G34-L36 VanDerWaalsContact C-N 3.34Å; G34-L36 PolarHBondContact O-N 2.99Å; L36-K40 WeakPolarHBondContact O-CB 3.2Å; L36-K40 PolarHBondContact O-N 3.16Å; L36-K40 VanDerWaalsContact O-N 3.08Å |
| 37 | K | 98.7 | Very high | 98.7 | Very high | 141 Ų | 141 | 105.3 Ų | 105.3 | 61% | 0.613 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.6 | -46.7 | 174.8 | -176.1 | -177.3 | 175.6 | -172.2 | 0 | 111.3 | E33 G34 I35 L39 K40 D41 | E33-K37 PolarHBondContact O-N 2.93Å; E33-K37 VanDerWaalsContact O-N 3.12Å; G34-K37 WeakPolarHBondContact O-CB 3.3Å; G34-K37 PolarHBondContact O-N 3.12Å; G34-K37 VanDerWaalsContact O-N 3.16Å; I35-K37 VanDerWaalsContact C-N 3.26Å; I35-K37 PolarHBondContact O-N 3.46Å; K37-L39 PolarHBondContact O-N 2.99Å; K37-K40 WeakPolarHBondContact O-CB 3.32Å; K37-K40 PolarHBondContact O-N 3.29Å; K37-D41 PolarHBondContact O-N 3.46Å |
| 38 | E | 98.6 | Very high | 98.7 | Very high | 132 Ų | 132 | 106.4 Ų | 106.4 | 62% | 0.617 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.5 | -44.7 | 177.5 | -69.6 | 175.7 | -165.7 | 0 | 0 | 111.7 | G34 I35 K40 D41 V42 | G34-E38 PolarHBondContact O-N 3.32Å; I35-E38 PolarHBondContact O-N 3.25Å; E38-K40 VanDerWaalsContact C-N 3.28Å; E38-K40 PolarHBondContact O-N 3.1Å; E38-D41 WeakPolarHBondContact O-CB 3.43Å; E38-D41 PolarHBondContact O-N 3.08Å; E38-D41 VanDerWaalsContact O-N 3.1Å; E38-V42 WeakPolarHBondContact O-CG2 3.4Å; E38-V42 PolarHBondContact O-N 3.35Å |
| 39 | L | 98.8 | Very high | 98.7 | Very high | 105 Ų | 105 | 107.3 Ų | 107.3 | 55% | 0.55 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.9 | -37.5 | 175.9 | -73.9 | 174.7 | 0 | 0 | 0 | 112.5 | I35 K37 D41 V42 A43 | I35-L39 HydrophobicContact CG2-CD1 4.02Å; I35-L39 HydrophobicContact CG2-CG 4.31Å; I35-L39 WeakPolarHBondContact O-CG 3.34Å; I35-L39 PolarHBondContact O-N 3.44Å; K37-L39 PolarHBondContact O-N 2.99Å; L39-D41 VanDerWaalsContact C-N 3.34Å; L39-V42 PolarHBondContact O-N 3.2Å; L39-A43 WeakPolarHBondContact O-CB 3.4Å; L39-A43 PolarHBondContact O-N 3.48Å |
| 40 | K | 98.7 | Very high | 98.6 | Very high | 156 Ų | 156 | 106.8 Ų | 106.8 | 68% | 0.678 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.3 | -39 | 174.7 | -178.1 | -179.3 | 176.2 | 178.3 | 0 | 111.8 | L36 K37 E38 A43 K44 | L36-K40 WeakPolarHBondContact O-CB 3.2Å; L36-K40 PolarHBondContact O-N 3.16Å; L36-K40 VanDerWaalsContact O-N 3.08Å; K37-K40 WeakPolarHBondContact O-CB 3.32Å; K37-K40 PolarHBondContact O-N 3.29Å; E38-K40 VanDerWaalsContact C-N 3.28Å; E38-K40 PolarHBondContact O-N 3.1Å; K40-A43 PolarHBondContact O-N 3.41Å; K40-K44 PolarHBondContact O-N 3.19Å; K40-K44 VanDerWaalsContact O-N 3.1Å |
| 41 | D | 98.8 | Very high | 98.6 | Very high | 78 Ų | 78 | 104.5 Ų | 104.5 | 42% | 0.417 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.8 | -44.6 | 176.3 | -69.8 | -21.2 | 0 | 0 | 0 | 110.4 | K37 E38 L39 A43 K44 E45 | K37-D41 PolarHBondContact O-N 3.46Å; E38-D41 WeakPolarHBondContact O-CB 3.43Å; E38-D41 PolarHBondContact O-N 3.08Å; E38-D41 VanDerWaalsContact O-N 3.1Å; L39-D41 VanDerWaalsContact C-N 3.34Å; D41-A43 VanDerWaalsContact C-N 3.34Å; D41-A43 PolarHBondContact O-N 3.01Å; D41-K44 WeakPolarHBondContact O-CB 3.37Å; D41-K44 PolarHBondContact O-N 3.16Å; D41-K44 VanDerWaalsContact O-N 3.09Å; D41-E45 PolarHBondContact O-N 2.91Å |
| 42 | V | 98.8 | Very high | 98.6 | Very high | 71 Ų | 71 | 104.2 Ų | 104.2 | 43% | 0.43 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -57.3 | -45.4 | 172.9 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | E38 L39 K44 E45 L46 | E38-V42 WeakPolarHBondContact O-CG2 3.4Å; E38-V42 PolarHBondContact O-N 3.35Å; L39-V42 PolarHBondContact O-N 3.2Å; V42-K44 PolarHBondContact O-N 3.12Å; V42-E45 PolarHBondContact O-N 3.41Å; V42-L46 HydrophobicContact CG1-CD1 4.11Å; V42-L46 HydrophobicContact CG1-CG 4.31Å; V42-L46 WeakPolarHBondContact O-CG 3.47Å; V42-L46 PolarHBondContact O-N 3.04Å |
| 43 | A | 98.8 | Very high | 98.5 | Very high | 57 Ų | 57 | 103.8 Ų | 103.8 | 47% | 0.471 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.8 | -33.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L39 K40 D41 R47 | L39-A43 WeakPolarHBondContact O-CB 3.4Å; L39-A43 PolarHBondContact O-N 3.48Å; K40-A43 PolarHBondContact O-N 3.41Å; D41-A43 VanDerWaalsContact C-N 3.34Å; D41-A43 PolarHBondContact O-N 3.01Å; A43-R47 PolarHBondContact O-N 3.35Å; A43-R47 VanDerWaalsContact O-N 3.12Å |
| 44 | K | 98.7 | Very high | 98.4 | Very high | 150 Ų | 150 | 102.5 Ų | 102.5 | 65% | 0.652 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -69.3 | -43.9 | 174.8 | -174.4 | -172 | 173.5 | -166.9 | 0 | 111.3 | K40 D41 V42 R47 E48 | K40-K44 PolarHBondContact O-N 3.19Å; K40-K44 VanDerWaalsContact O-N 3.1Å; D41-K44 WeakPolarHBondContact O-CB 3.37Å; D41-K44 PolarHBondContact O-N 3.16Å; D41-K44 VanDerWaalsContact O-N 3.09Å; V42-K44 PolarHBondContact O-N 3.12Å; K44-R47 PolarHBondContact O-N 3.46Å; K44-E48 PolarHBondContact O-N 2.92Å |
| 45 | E | 98.6 | Very high | 98.3 | Very high | 125 Ų | 125 | 108.9 Ų | 108.9 | 58% | 0.584 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.3 | -44 | 176.3 | -70 | 180 | 179.4 | 0 | 0 | 111.5 | D41 V42 R47 E48 V49 | D41-E45 PolarHBondContact O-N 2.91Å; V42-E45 PolarHBondContact O-N 3.41Å; E45-R47 VanDerWaalsContact C-N 3.31Å; E45-R47 PolarHBondContact O-N 3.48Å; E45-E48 WeakPolarHBondContact O-CB 3.4Å; E45-E48 PolarHBondContact O-N 3.17Å; E45-E48 VanDerWaalsContact O-N 3.09Å; E45-V49 WeakPolarHBondContact O-CG2 3.42Å; E45-V49 PolarHBondContact O-N 3.29Å |
| 46 | L | 98.8 | Very high | 98.1 | Very high | 107 Ų | 107 | 111 Ų | 111 | 56% | 0.56 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.8 | -41.9 | 175.4 | -72.1 | 177 | 0 | 0 | 0 | 111.7 | V42 E48 V49 V50 | V42-L46 HydrophobicContact CG1-CD1 4.11Å; V42-L46 HydrophobicContact CG1-CG 4.31Å; V42-L46 WeakPolarHBondContact O-CG 3.47Å; V42-L46 PolarHBondContact O-N 3.04Å; L46-E48 VanDerWaalsContact C-N 3.3Å; L46-E48 PolarHBondContact O-N 3.32Å; L46-V49 PolarHBondContact O-N 2.98Å; L46-V50 WeakPolarHBondContact O-CG2 3.39Å; L46-V50 PolarHBondContact O-N 2.95Å |
| 47 | R | 98.4 | Very high | 97.8 | Very high | 204 Ų | 204 | 107.8 Ų | 107.8 | 77% | 0.77 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.5 | -38 | 174.8 | -173.9 | 175.3 | -61.6 | -163.1 | -2.1 | 112.2 | A43 K44 E45 G51 | A43-R47 PolarHBondContact O-N 3.35Å; A43-R47 VanDerWaalsContact O-N 3.12Å; K44-R47 PolarHBondContact O-N 3.46Å; E45-R47 VanDerWaalsContact C-N 3.31Å; E45-R47 PolarHBondContact O-N 3.48Å; R47-G51 PolarHBondContact O-N 3.3Å |
| 48 | E | 98.6 | Very high | 97.5 | Very high | 118 Ų | 118 | 104.8 Ų | 104.8 | 55% | 0.551 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.1 | -46.4 | 174.8 | -175.2 | 179.4 | 165.3 | 0 | 0 | 111.3 | K44 E45 L46 V50 G51 Q52 | K44-E48 PolarHBondContact O-N 2.92Å; E45-E48 WeakPolarHBondContact O-CB 3.4Å; E45-E48 PolarHBondContact O-N 3.17Å; E45-E48 VanDerWaalsContact O-N 3.09Å; L46-E48 VanDerWaalsContact C-N 3.3Å; L46-E48 PolarHBondContact O-N 3.32Å; E48-V50 PolarHBondContact O-N 3.24Å; E48-G51 CarbonylContact O-C 3.59Å; E48-G51 PolarHBondContact O-N 3.12Å; E48-Q52 WeakPolarHBondContact O-CG 3.41Å; E48-Q52 PolarHBondContact O-N 3.01Å; E48-Q52 PolarHBondContact OE1-NE2 2.98Å |
| 49 | V | 98.6 | Very high | 97.1 | Very high | 73 Ų | 73 | 105.6 Ų | 105.6 | 44% | 0.442 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61 | -45.2 | 177.4 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | E45 L46 G51 Q52 I53 | E45-V49 WeakPolarHBondContact O-CG2 3.42Å; E45-V49 PolarHBondContact O-N 3.29Å; L46-V49 PolarHBondContact O-N 2.98Å; V49-G51 VanDerWaalsContact C-N 3.35Å; V49-G51 PolarHBondContact O-N 3.09Å; V49-Q52 WeakPolarHBondContact O-CB 3.34Å; V49-Q52 PolarHBondContact O-N 3.19Å; V49-Q52 VanDerWaalsContact O-N 3.16Å; V49-I53 HydrophobicContact CG1-CD1 4.25Å; V49-I53 WeakPolarHBondContact O-CG1 3.39Å; V49-I53 PolarHBondContact O-N 3.3Å |
| 50 | V | 97.9 | Very high | 96.3 | Very high | 74 Ų | 74 | 106.4 Ų | 106.4 | 45% | 0.448 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 174.7 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | L46 E48 Q52 I53 D54 | L46-V50 WeakPolarHBondContact O-CG2 3.39Å; L46-V50 PolarHBondContact O-N 2.95Å; E48-V50 PolarHBondContact O-N 3.24Å; V50-Q52 PolarHBondContact O-N 3.43Å; V50-I53 CarbonylContact O-C 3.57Å; V50-I53 WeakPolarHBondContact O-CA 3.45Å; V50-I53 WeakPolarHBondContact O-CB 3.49Å; V50-I53 PolarHBondContact O-N 3.31Å; V50-D54 PolarHBondContact O-N 3.15Å |
| 51 | G | 98.1 | Very high | 95 | Very high | 36 Ų | 36 | 105.4 Ų | 105.4 | 37% | 0.371 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.5 | -31.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R47 E48 V49 K55 | R47-G51 PolarHBondContact O-N 3.3Å; E48-G51 CarbonylContact O-C 3.59Å; E48-G51 PolarHBondContact O-N 3.12Å; V49-G51 VanDerWaalsContact C-N 3.35Å; V49-G51 PolarHBondContact O-N 3.09Å; G51-K55 VanDerWaalsContact O-CB 3.27Å; G51-K55 WeakPolarHBondContact O-CB 3.35Å; G51-K55 PolarHBondContact O-N 2.93Å |
| 52 | Q | 98.3 | Very high | 93.3 | Very high | 111 Ų | 111 | 109.1 Ų | 109.1 | 52% | 0.519 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.1 | -40.7 | 171.8 | -70.2 | 175 | 16.4 | 0 | 0 | 111.7 | E48 V49 V50 K55 L56 | E48-Q52 WeakPolarHBondContact O-CG 3.41Å; E48-Q52 PolarHBondContact O-N 3.01Å; E48-Q52 PolarHBondContact OE1-NE2 2.98Å; V49-Q52 WeakPolarHBondContact O-CB 3.34Å; V49-Q52 PolarHBondContact O-N 3.19Å; V49-Q52 VanDerWaalsContact O-N 3.16Å; V50-Q52 PolarHBondContact O-N 3.43Å; Q52-K55 PolarHBondContact O-N 2.87Å; Q52-L56 WeakPolarHBondContact O-CB 3.28Å; Q52-L56 PolarHBondContact O-N 2.92Å |
| 53 | I | 97.3 | Very high | 91.6 | Very high | 89 Ų | 89 | 112.2 Ų | 112.2 | 46% | 0.456 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61 | -55 | 173.9 | -67.3 | 167.2 | 0 | 0 | 0 | 109.2 | V49 V50 K55 L56 T57 | V49-I53 HydrophobicContact CG1-CD1 4.25Å; V49-I53 WeakPolarHBondContact O-CG1 3.39Å; V49-I53 PolarHBondContact O-N 3.3Å; V50-I53 CarbonylContact O-C 3.57Å; V50-I53 WeakPolarHBondContact O-CA 3.45Å; V50-I53 WeakPolarHBondContact O-CB 3.49Å; V50-I53 PolarHBondContact O-N 3.31Å; I53-K55 PolarHBondContact O-N 3.43Å; I53-L56 CarbonylContact O-C 3.49Å; I53-L56 WeakPolarHBondContact O-CA 3.46Å; I53-L56 WeakPolarHBondContact O-CB 3.27Å; I53-L56 PolarHBondContact O-N 3.09Å; I53-T57 HydrophobicContact CG2-CG2 3.99Å; I53-T57 WeakPolarHBondContact O-CB 3.47Å; I53-T57 WeakPolarHBondContact O-CG2 3.33Å; I53-T57 PolarHBondContact O-N 3.1Å; I53-T57 PolarHBondContact O-OG1 2.98Å |
| 54 | D | 96.1 | Very high | 89.7 | Confident | 94 Ų | 94 | 116.3 Ų | 116.3 | 50% | 0.503 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -54.7 | -41.6 | 179.8 | -68.6 | -14.9 | 0 | 0 | 0 | 111.9 | V50 T57 S58 | V50-D54 PolarHBondContact O-N 3.15Å; D54-T57 WeakPolarHBondContact CA-OG1 3.42Å; D54-T57 PolarHBondContact O-N 2.89Å; D54-T57 PolarHBondContact O-OG1 3.39Å; D54-S58 WeakPolarHBondContact O-CA 3.48Å; D54-S58 VanDerWaalsContact O-CB 3.25Å; D54-S58 WeakPolarHBondContact O-CB 3.49Å; D54-S58 PolarHBondContact O-N 3.25Å |
| 55 | K | 96.2 | Very high | 87.7 | Confident | 162 Ų | 162 | 117.4 Ų | 117.4 | 70% | 0.704 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63 | -44.2 | 175.6 | -174.4 | 70.8 | 177.3 | -72.2 | 0 | 111.7 | G51 Q52 I53 T57 S58 | G51-K55 VanDerWaalsContact O-CB 3.27Å; G51-K55 WeakPolarHBondContact O-CB 3.35Å; G51-K55 PolarHBondContact O-N 2.93Å; Q52-K55 PolarHBondContact O-N 2.87Å; I53-K55 PolarHBondContact O-N 3.43Å; K55-T57 VanDerWaalsContact C-N 3.29Å; K55-S58 PolarHBondContact O-OG 3.06Å |
| 56 | L | 95.3 | Very high | 85.8 | Confident | 132 Ų | 132 | 115.8 Ų | 115.8 | 69% | 0.691 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70.6 | -29.3 | 178.4 | -177.7 | 60.6 | 0 | 0 | 0 | 111.8 | Q52 I53 F60 | Q52-L56 WeakPolarHBondContact O-CB 3.28Å; Q52-L56 PolarHBondContact O-N 2.92Å; I53-L56 CarbonylContact O-C 3.49Å; I53-L56 WeakPolarHBondContact O-CA 3.46Å; I53-L56 WeakPolarHBondContact O-CB 3.27Å; I53-L56 PolarHBondContact O-N 3.09Å; L56-F60 WeakPolarHBondContact O-CE2 3.25Å |
| 57 | T | 92.9 | Very high | 84.1 | Confident | 48 Ų | 48 | 115.7 Ų | 115.7 | 29% | 0.294 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -96.5 | -9.1 | -176 | 59.4 | 0 | 0 | 0 | 0 | 114.5 | I53 D54 K55 D59 F60 | I53-T57 HydrophobicContact CG2-CG2 3.99Å; I53-T57 WeakPolarHBondContact O-CB 3.47Å; I53-T57 WeakPolarHBondContact O-CG2 3.33Å; I53-T57 PolarHBondContact O-N 3.1Å; I53-T57 PolarHBondContact O-OG1 2.98Å; D54-T57 WeakPolarHBondContact CA-OG1 3.42Å; D54-T57 PolarHBondContact O-N 2.89Å; D54-T57 PolarHBondContact O-OG1 3.39Å; K55-T57 VanDerWaalsContact C-N 3.29Å; T57-D59 PolarHBondContact O-N 3.22Å; T57-D59 VanDerWaalsContact O-N 3.15Å; T57-F60 VanDerWaalsContact CA-CD2 3.47Å; T57-F60 HydrophobicContact CG2-CD2 4.07Å; T57-F60 HydrophobicContact CG2-CE2 4.22Å; T57-F60 WeakPolarHBondContact O-CB 3.4Å; T57-F60 PolarHBondContact O-N 3.14Å |
| 58 | S | 91.9 | Very high | 82 | Confident | 79 Ų | 79 | 112.9 Ų | 112.9 | 55% | 0.552 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -25 | -178.4 | 59.2 | 0 | 0 | 0 | 0 | 114.9 | D54 K55 | D54-S58 WeakPolarHBondContact O-CA 3.48Å; D54-S58 VanDerWaalsContact O-CB 3.25Å; D54-S58 WeakPolarHBondContact O-CB 3.49Å; D54-S58 PolarHBondContact O-N 3.25Å; K55-S58 PolarHBondContact O-OG 3.06Å |
| 59 | D | 89.1 | Confident | 80.1 | Confident | 148 Ų | 148 | 117 Ų | 117 | 79% | 0.791 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -6.1 | 177.7 | -64.1 | -33.6 | 0 | 0 | 0 | 112.8 | T57 D61 | T57-D59 PolarHBondContact O-N 3.22Å; T57-D59 VanDerWaalsContact O-N 3.15Å; D59-D61 PolarHBondContact O-N 3.22Å |
| 60 | F | 81.9 | Confident | 78.1 | Confident | 123 Ų | 123 | 116.9 Ų | 116.9 | 54% | 0.539 | 61% | 0.605 | S | S | . | * | | | trans | -81 | 101 | 171 | -62.2 | -68.9 | 0 | 0 | 0 | 108.9 | L56 T57 F62 | L56-F60 WeakPolarHBondContact O-CE2 3.25Å; T57-F60 VanDerWaalsContact CA-CD2 3.47Å; T57-F60 HydrophobicContact CG2-CD2 4.07Å; T57-F60 HydrophobicContact CG2-CE2 4.22Å; T57-F60 WeakPolarHBondContact O-CB 3.4Å; T57-F60 PolarHBondContact O-N 3.14Å; F60-F62 HydrophobicContact CB-CD2 3.96Å; F60-F62 HydrophobicContact CB-CE2 3.48Å; F60-F62 VanDerWaalsContact CB-CE2 3.48Å; F60-F62 HydrophobicContact CB-CZ 3.83Å; F60-F62 HydrophobicContact CG-CE2 4.39Å; F60-F62 HydrophobicContact CG-CZ 4.37Å; F60-F62 WeakPolarHBondContact O-CD2 3.46Å; F60-F62 PolarHBondContact O-N 3.5Å; F60-F62 VanDerWaalsContact O-N 3.09Å |
| 61 | D | 72.2 | Confident | 76 | Confident | 135 Ų | 135 | 117.3 Ų | 117.3 | 72% | 0.722 | 61% | 0.607 | S | S | * | * | | | trans | -74.8 | 92.3 | 166.4 | -162.3 | 6 | 0 | 0 | 0 | 108.1 | D59 D63 | D59-D61 PolarHBondContact O-N 3.22Å; D61-D63 PolarHBondContact O-N 3.04Å |
| 62 | F | 63.1 | Low | 73.9 | Confident | 156 Ų | 156 | 119.8 Ų | 119.8 | 68% | 0.684 | 62% | 0.624 | S | S | * | * | | | trans | -77.3 | 44 | 170.4 | -62.6 | -86.4 | 0 | 0 | 0 | 110.1 | F60 L64 | F60-F62 HydrophobicContact CB-CD2 3.96Å; F60-F62 HydrophobicContact CB-CE2 3.48Å; F60-F62 VanDerWaalsContact CB-CE2 3.48Å; F60-F62 HydrophobicContact CB-CZ 3.83Å; F60-F62 HydrophobicContact CG-CE2 4.39Å; F60-F62 HydrophobicContact CG-CZ 4.37Å; F60-F62 WeakPolarHBondContact O-CD2 3.46Å; F60-F62 PolarHBondContact O-N 3.5Å; F60-F62 VanDerWaalsContact O-N 3.09Å; F62-L64 PolarHBondContact O-N 2.93Å |
| 63 | D | 62.9 | Low | 71.7 | Confident | 135 Ų | 135 | 120.8 Ų | 120.8 | 72% | 0.722 | 64% | 0.638 | S | S | * | * | | | trans | -60.1 | 97.8 | 165.1 | -121.9 | -0.7 | 0 | 0 | 0 | 105.2 | D61 E65 | D61-D63 PolarHBondContact O-N 3.04Å; D63-E65 PolarHBondContact O-N 3.49Å |
| 64 | L | 59.1 | Low | 69.6 | Low | 143 Ų | 143 | 120.5 Ų | 120.5 | 75% | 0.749 | 65% | 0.649 | S | S | * | * | | | trans | -61.4 | 88.5 | 177.9 | -88.8 | 104.2 | 0 | 0 | 0 | 106.8 | F62 P66 | F62-L64 PolarHBondContact O-N 2.93Å; L64-P66 VanDerWaalsContact O-CD 3.24Å; L64-P66 WeakPolarHBondContact O-CD 3.43Å |
| 65 | E | 56.4 | Low | 67.1 | Low | 173 Ų | 173 | 121.2 Ų | 121.2 | 81% | 0.808 | 66% | 0.661 | S | S | * | * | | | trans | -63.5 | 116.4 | 147.9 | -157.5 | 166.4 | -169.8 | 0 | 0 | 104.8 | D63 D67 | D63-E65 PolarHBondContact O-N 3.49Å; E65-D67 PolarHBondContact O-N 3.2Å |
| 66 | P | 58.6 | Low | 64.5 | Low | 91 Ų | 91 | 119 Ų | 119 | 59% | 0.591 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -61.2 | -0.1 | -169 | -26.4 | 35.6 | 0 | 0 | 0 | 116.3 | L64 | L64-P66 VanDerWaalsContact O-CD 3.24Å; L64-P66 WeakPolarHBondContact O-CD 3.43Å |
| 67 | D | 62.6 | Low | 61.9 | Low | 106 Ų | 106 | 119.6 Ų | 119.6 | 57% | 0.567 | 68% | 0.675 | S | S | * | * | | | trans | -129.2 | 105.1 | -160.9 | -69.2 | -43.5 | 0 | 0 | 0 | 110.9 | E65 | E65-D67 PolarHBondContact O-N 3.2Š|
| 68 | D | 55.3 | Low | 59.1 | Low | 144 Ų | 144 | 123 Ų | 123 | 77% | 0.77 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -173.7 | -38.5 | 140 | -99.9 | -12.3 | 0 | 0 | 0 | 111.9 | | |
| 69 | W | 59.2 | Low | 56.6 | Low | 204 Ų | 204 | 124.6 Ų | 124.6 | 77% | 0.773 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -82.9 | -24.2 | -178.8 | 66.1 | -87.6 | 0 | 0 | 0 | 113.5 | | |
| 70 | T | 56.5 | Low | 54 | Low | 72 Ų | 72 | 122.9 Ų | 122.9 | 44% | 0.442 | 71% | 0.712 | S | S | . | * | S | Bend | trans | -82.5 | -19.9 | 179.1 | -45.4 | 0 | 0 | 0 | 0 | 113 | | |
| 71 | V | 52 | Low | 52.7 | Low | 82 Ų | 82 | 123.7 Ų | 123.7 | 50% | 0.497 | 72% | 0.717 | S | S | . | * | G | 310 helix | trans | -78.9 | -22.2 | -175.6 | -167.1 | 0 | 0 | 0 | 0 | 112.4 | T73 A74 | V71-T73 PolarHBondContact O-N 2.81Å; V71-T73 VanDerWaalsContact O-N 3.16Å; V71-A74 PolarHBondContact O-N 3.02Å |
| 72 | A | 54.8 | Low | 51.7 | Low | 88 Ų | 88 | 127.8 Ų | 127.8 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -69.8 | -12.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 73 | T | 52.2 | Low | 50.9 | Low | 133 Ų | 133 | 123.8 Ų | 123.8 | 82% | 0.816 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -95.1 | -1.8 | -179.9 | -21 | 0 | 0 | 0 | 0 | 114.1 | V71 | V71-T73 PolarHBondContact O-N 2.81Å; V71-T73 VanDerWaalsContact O-N 3.16Å |
| 74 | A | 52.5 | Low | 50.1 | Low | 83 Ų | 83 | 126.2 Ų | 126.2 | 69% | 0.686 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -118.6 | 56.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V71 | V71-A74 PolarHBondContact O-N 3.02Š|
| 75 | S | 43.4 | Very low | 49.4 | Very low | 108 Ų | 108 | 121.6 Ų | 121.6 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | | | trans | -141.4 | 70.8 | 163.9 | -83.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 76 | S | 42.2 | Very low | 48.9 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | | | trans | -164.8 | 66 | 152.9 | -80.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 77 | T | 40.6 | Very low | 48.5 | Very low | 143 Ų | 143 | 122.2 Ų | 122.2 | 88% | 0.877 | 73% | 0.733 | S | S | * | * | | | trans | -132.3 | 78.6 | 155.9 | 48.8 | 0 | 0 | 0 | 0 | 109 | S79 | T77-S79 PolarHBondContact O-N 3.27Š|
| 78 | S | 33.5 | Very low | 47.6 | Very low | 120 Ų | 120 | 125 Ų | 125 | 84% | 0.839 | 74% | 0.741 | S | S | * | * | | | trans | -68.3 | 108 | 158.5 | -175.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 79 | S | 39.4 | Very low | 47.3 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | | | trans | 60.9 | 107.7 | 142.5 | -152.1 | 0 | 0 | 0 | 0 | 119.6 | T77 | T77-S79 PolarHBondContact O-N 3.27Š|
| 80 | S | 36.3 | Very low | 46.7 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | | | | 177.7 | 131 | 110.5 | -176.6 | 0 | 0 | 0 | 0 | 110 | | |
| 81 | E | 53.4 | Low | 46.2 | Very low | 140 Ų | 140 | 128.5 Ų | 128.5 | 65% | 0.654 | 75% | 0.753 | S | S | * | * | | | trans | -57.9 | 156.4 | 175.4 | 57.4 | 158.6 | -157.3 | 0 | 0 | 113.2 | | |
| 82 | R | 51.1 | Low | 45.9 | Very low | 221 Ų | 221 | 132.5 Ų | 132.5 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | | | trans | 104.4 | 104.1 | 166.9 | -57.1 | 167.4 | -162.8 | -146.3 | 1.5 | 114.9 | | |
| 83 | G | 45.8 | Very low | 45.6 | Very low | 72 Ų | 72 | 135.7 Ų | 135.7 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | | | trans | 130.8 | 98.1 | 153.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 84 | L | 47.7 | Very low | 45.5 | Very low | 187 Ų | 187 | 132.7 Ų | 132.7 | 98% | 0.979 | 75% | 0.747 | S | S | * | * | | | | 37.8 | 90.5 | 129 | -134.9 | 160.7 | 0 | 0 | 0 | 115.7 | | |
| 85 | G | 43.5 | Very low | 45.5 | Very low | 45 Ų | 45 | 132 Ų | 132 | 46% | 0.464 | 74% | 0.742 | S | S | . | * | | | trans | -167.2 | 40.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | A87 | G85-A87 VanDerWaalsContact C-N 3.31Å; G85-A87 PolarHBondContact O-N 3.49Å |
| 86 | E | 47.1 | Very low | 46 | Very low | 195 Ų | 195 | 132.3 Ų | 132.3 | 91% | 0.911 | 74% | 0.735 | S | S | * | * | | | trans | -92.6 | 59.7 | 173.5 | -164.5 | 177.8 | -166.3 | 0 | 0 | 110.1 | | |
| 87 | A | 49.1 | Very low | 46.8 | Very low | 82 Ų | 82 | 131.7 Ų | 131.7 | 68% | 0.678 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -142.2 | 7.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | G85 | G85-A87 VanDerWaalsContact C-N 3.31Å; G85-A87 PolarHBondContact O-N 3.49Å |
| 88 | F | 44.5 | Very low | 47.3 | Very low | 165 Ų | 165 | 131.4 Ų | 131.4 | 72% | 0.724 | 72% | 0.719 | S | S | * | * | | | trans | -130.9 | 25.5 | -179.1 | -14.3 | -80 | 0 | 0 | 0 | 112.8 | L90 | F88-L90 PolarHBondContact O-N 3.39Š|
| 89 | R | 49.3 | Very low | 48 | Very low | 235 Ų | 235 | 129 Ų | 129 | 89% | 0.887 | 70% | 0.702 | S | S | * | * | | | trans | -73.4 | 74.4 | 157.6 | -68 | -133.6 | 83.4 | -173.8 | 5.3 | 107.2 | D91 | R89-D91 PolarHBondContact O-N 2.88Š|
| 90 | L | 45 | Very low | 48.4 | Very low | 123 Ų | 123 | 129.4 Ų | 129.4 | 64% | 0.644 | 70% | 0.695 | S | S | * | * | | | trans | -49.6 | 120.3 | 179.5 | -169.6 | 66.1 | 0 | 0 | 0 | 108.8 | F88 F92 | F88-L90 PolarHBondContact O-N 3.39Å; L90-F92 HydrophobicContact CD1-CD2 3.98Å; L90-F92 HydrophobicContact CD1-CE2 4.36Å; L90-F92 HydrophobicContact CD2-CB 4.09Å; L90-F92 HydrophobicContact CD2-CD2 3.15Å; L90-F92 HydrophobicContact CD2-CE2 3.51Å; L90-F92 HydrophobicContact CD2-CG 3.7Å; L90-F92 HydrophobicContact CD2-CZ 4.37Å; L90-F92 HydrophobicContact CG-CB 4.01Å; L90-F92 HydrophobicContact CG-CD2 3.32Å; L90-F92 HydrophobicContact CG-CE2 4.03Å; L90-F92 HydrophobicContact CG-CG 3.99Å; L90-F92 PolarHBondContact O-N 3.3Å |
| 91 | D | 46.1 | Very low | 49 | Very low | 135 Ų | 135 | 128.4 Ų | 128.4 | 72% | 0.722 | 69% | 0.688 | S | S | * | * | | | trans | -61.9 | 40.9 | 169.8 | -58.4 | -66.3 | 0 | 0 | 0 | 112.5 | R89 L93 N94 | R89-D91 PolarHBondContact O-N 2.88Å; D91-L93 PolarHBondContact O-N 3.29Å; D91-N94 PolarHBondContact O-N 3.43Å |
| 92 | F | 47.1 | Very low | 49.1 | Very low | 166 Ų | 166 | 131.7 Ų | 131.7 | 73% | 0.728 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -0.9 | -176.4 | -122.8 | -114.5 | 0 | 0 | 0 | 113.4 | L90 | L90-F92 HydrophobicContact CD1-CD2 3.98Å; L90-F92 HydrophobicContact CD1-CE2 4.36Å; L90-F92 HydrophobicContact CD2-CB 4.09Å; L90-F92 HydrophobicContact CD2-CD2 3.15Å; L90-F92 HydrophobicContact CD2-CE2 3.51Å; L90-F92 HydrophobicContact CD2-CG 3.7Å; L90-F92 HydrophobicContact CD2-CZ 4.37Å; L90-F92 HydrophobicContact CG-CB 4.01Å; L90-F92 HydrophobicContact CG-CD2 3.32Å; L90-F92 HydrophobicContact CG-CE2 4.03Å; L90-F92 HydrophobicContact CG-CG 3.99Å; L90-F92 PolarHBondContact O-N 3.3Å |
| 93 | L | 48.6 | Very low | 49.4 | Very low | 156 Ų | 156 | 125.9 Ų | 125.9 | 82% | 0.817 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.5 | 25.1 | 175.6 | -62.2 | 176.6 | 0 | 0 | 0 | 111.6 | D91 A95 | D91-L93 PolarHBondContact O-N 3.29Å; L93-A95 VanDerWaalsContact C-N 3.29Å; L93-A95 PolarHBondContact O-N 3.16Å |
| 94 | N | 49.3 | Very low | 49.9 | Very low | 69 Ų | 69 | 129.2 Ų | 129.2 | 37% | 0.369 | 67% | 0.671 | S | S | . | * | | | trans | -72.3 | 92.8 | 171.4 | -161.5 | -16.6 | 0 | 0 | 0 | 108.9 | D91 D96 V97 | D91-N94 PolarHBondContact O-N 3.43Å; N94-D96 PolarHBondContact O-N 2.87Å; N94-D96 WeakPolarHBondContact OD1-CB 3.42Å; N94-D96 PolarHBondContact OD1-N 3.41Å; N94-D96 PolarHBondContact OD1-OD2 3.41Å; N94-V97 HydrophobicContact CB-CG2 4.28Å; N94-V97 PolarHBondContact O-N 3.37Å; N94-V97 VanDerWaalsContact O-N 3.08Å |
| 95 | A | 52.4 | Low | 49.8 | Very low | 69 Ų | 69 | 123.9 Ų | 123.9 | 57% | 0.57 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -53.3 | -24.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L93 V97 L98 S99 | L93-A95 VanDerWaalsContact C-N 3.29Å; L93-A95 PolarHBondContact O-N 3.16Å; A95-V97 VanDerWaalsContact C-N 3.35Å; A95-V97 PolarHBondContact O-N 3.16Å; A95-L98 PolarHBondContact O-N 2.85Å; A95-S99 VanDerWaalsContact O-CB 3.28Å; A95-S99 WeakPolarHBondContact O-CB 3.42Å; A95-S99 PolarHBondContact O-N 2.95Å |
| 96 | D | 53.2 | Low | 50.4 | Low | 114 Ų | 114 | 124.8 Ų | 124.8 | 61% | 0.61 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.5 | -32.9 | 179.2 | -60.9 | -28.7 | 0 | 0 | 0 | 112.2 | N94 D100 | N94-D96 PolarHBondContact O-N 2.87Å; N94-D96 WeakPolarHBondContact OD1-CB 3.42Å; N94-D96 PolarHBondContact OD1-N 3.41Å; N94-D96 PolarHBondContact OD1-OD2 3.41Å; D96-D100 PolarHBondContact O-N 3.4Å |
| 97 | V | 59.8 | Low | 50.6 | Low | 104 Ų | 104 | 123.7 Ų | 123.7 | 63% | 0.63 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -74.9 | -29.7 | -179.3 | -178.8 | 0 | 0 | 0 | 0 | 112.2 | N94 A95 | N94-V97 HydrophobicContact CB-CG2 4.28Å; N94-V97 PolarHBondContact O-N 3.37Å; N94-V97 VanDerWaalsContact O-N 3.08Å; A95-V97 VanDerWaalsContact C-N 3.35Å; A95-V97 PolarHBondContact O-N 3.16Å |
| 98 | L | 51.1 | Low | 51 | Low | 138 Ų | 138 | 125.4 Ų | 125.4 | 72% | 0.723 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -88.4 | -26 | 176.9 | -63.6 | 178.4 | 0 | 0 | 0 | 112.2 | A95 D100 S101 | A95-L98 PolarHBondContact O-N 2.85Å; L98-D100 VanDerWaalsContact C-N 3.34Å; L98-S101 PolarHBondContact O-N 3.23Å |
| 99 | S | 48.9 | Very low | 51.2 | Low | 69 Ų | 69 | 125 Ų | 125 | 48% | 0.483 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -64.5 | -38 | 174.6 | -167.9 | 0 | 0 | 0 | 0 | 111.8 | A95 S101 W102 | A95-S99 VanDerWaalsContact O-CB 3.28Å; A95-S99 WeakPolarHBondContact O-CB 3.42Å; A95-S99 PolarHBondContact O-N 2.95Å; S99-S101 PolarHBondContact O-N 3.38Å; S99-W102 PolarHBondContact O-N 3.2Å; S99-W102 VanDerWaalsContact O-N 3.16Å |
| 100 | D | 46.4 | Very low | 51.5 | Low | 121 Ų | 121 | 116.6 Ų | 116.6 | 65% | 0.647 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68 | -17.9 | 179.7 | -80.3 | -11.1 | 0 | 0 | 0 | 114.1 | D96 L98 | D96-D100 PolarHBondContact O-N 3.4Å; L98-D100 VanDerWaalsContact C-N 3.34Å |
| 101 | S | 50.2 | Low | 52 | Low | 91 Ų | 91 | 113.6 Ų | 113.6 | 64% | 0.636 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -78 | -26 | 175.6 | -165.2 | 0 | 0 | 0 | 0 | 112.3 | L98 S99 | L98-S101 PolarHBondContact O-N 3.23Å; S99-S101 PolarHBondContact O-N 3.38Å |
| 102 | W | 53.9 | Low | 52.3 | Low | 209 Ų | 209 | 109.1 Ų | 109.1 | 79% | 0.792 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -83 | -32 | -179.6 | -164.5 | -93.3 | 0 | 0 | 0 | 112.8 | S99 F104 C105 | S99-W102 PolarHBondContact O-N 3.2Å; S99-W102 VanDerWaalsContact O-N 3.16Å; W102-F104 PolarHBondContact O-N 2.96Å; W102-C105 PolarHBondContact O-N 3.15Å |
| 103 | E | 58.7 | Low | 52.5 | Low | 98 Ų | 98 | 103.7 Ų | 103.7 | 46% | 0.458 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60.9 | -26 | 173.4 | -73.5 | -70.7 | 129.3 | 0 | 0 | 112.6 | C105 S106 Y107 | E103-C105 VanDerWaalsContact C-N 3.27Å; E103-C105 PolarHBondContact O-N 2.9Å; E103-S106 VanDerWaalsContact O-CB 3.32Å; E103-S106 WeakPolarHBondContact O-CB 3.32Å; E103-S106 PolarHBondContact O-N 2.82Å; E103-S106 VanDerWaalsContact O-N 3.15Å; E103-Y107 WeakPolarHBondContact O-CD2 3.49Å |
| 104 | F | 55.3 | Low | 52.6 | Low | 143 Ų | 143 | 99.2 Ų | 99.2 | 63% | 0.627 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.3 | -34.4 | 176.5 | -176.6 | -105.1 | 0 | 0 | 0 | 113.1 | W102 L108 | W102-F104 PolarHBondContact O-N 2.96Å; F104-L108 HydrophobicContact CE1-CD1 4.44Å |
| 105 | C | 46.3 | Very low | 52.6 | Low | 75 Ų | 75 | 99 Ų | 99 | 51% | 0.507 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -72.2 | -31.4 | 177.3 | -68.9 | 0 | 0 | 0 | 0 | 112.5 | W102 E103 Y107 L108 E109 | W102-C105 PolarHBondContact O-N 3.15Å; E103-C105 VanDerWaalsContact C-N 3.27Å; E103-C105 PolarHBondContact O-N 2.9Å; C105-Y107 VanDerWaalsContact C-N 3.32Å; C105-Y107 PolarHBondContact O-N 2.76Å; C105-L108 PolarHBondContact O-N 3.44Å; C105-E109 PolarHBondContact O-N 2.95Å |
| 106 | S | 55.7 | Low | 52.1 | Low | 63 Ų | 63 | 106 Ų | 106 | 44% | 0.441 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.3 | -37.8 | 178.3 | -171.3 | 0 | 0 | 0 | 0 | 111.9 | E103 L108 E109 A110 | E103-S106 VanDerWaalsContact O-CB 3.32Å; E103-S106 WeakPolarHBondContact O-CB 3.32Å; E103-S106 PolarHBondContact O-N 2.82Å; E103-S106 VanDerWaalsContact O-N 3.15Å; S106-L108 PolarHBondContact O-N 3.33Å; S106-E109 PolarHBondContact O-N 2.93Å; S106-A110 PolarHBondContact O-N 2.93Å |
| 107 | Y | 51.3 | Low | 51.6 | Low | 172 Ų | 172 | 111.3 Ų | 111.3 | 68% | 0.675 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64 | -36.6 | 177.4 | -74 | -76.9 | 0 | 0 | 0 | 113.5 | E103 C105 A111 | E103-Y107 WeakPolarHBondContact O-CD2 3.49Å; C105-Y107 VanDerWaalsContact C-N 3.32Å; C105-Y107 PolarHBondContact O-N 2.76Å; Y107-A111 PolarHBondContact O-N 3.37Å; Y107-A111 VanDerWaalsContact O-N 3.12Å |
| 108 | L | 57.8 | Low | 50.4 | Low | 118 Ų | 118 | 111.2 Ų | 111.2 | 62% | 0.618 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.1 | -36.3 | 176.9 | -78.1 | 164.1 | 0 | 0 | 0 | 112.1 | F104 C105 S106 A111 G112 | F104-L108 HydrophobicContact CE1-CD1 4.44Å; C105-L108 PolarHBondContact O-N 3.44Å; S106-L108 PolarHBondContact O-N 3.33Å; L108-A111 PolarHBondContact O-N 3.29Å; L108-G112 PolarHBondContact O-N 3.07Å; L108-G112 VanDerWaalsContact O-N 3.16Å |
| 109 | E | 48.4 | Very low | 49.9 | Very low | 156 Ų | 156 | 109.4 Ų | 109.4 | 73% | 0.729 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.5 | -38.4 | 175.1 | -174 | 161.1 | -157.2 | 0 | 0 | 111.9 | C105 S106 G112 A113 | C105-E109 PolarHBondContact O-N 2.95Å; S106-E109 PolarHBondContact O-N 2.93Å; E109-G112 PolarHBondContact O-N 3.01Å; E109-A113 PolarHBondContact O-N 2.88Å; E109-A113 VanDerWaalsContact O-N 3.1Å |
| 110 | A | 55.3 | Low | 49.1 | Very low | 59 Ų | 59 | 115 Ų | 115 | 49% | 0.488 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66.9 | -38.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S106 A113 A114 | S106-A110 PolarHBondContact O-N 2.93Å; A110-A113 PolarHBondContact O-N 3.08Å; A110-A114 PolarHBondContact O-N 3.46Å |
| 111 | A | 55.5 | Low | 48.4 | Very low | 60 Ų | 60 | 117.9 Ų | 117.9 | 50% | 0.496 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66.5 | -38.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y107 L108 A114 A115 | Y107-A111 PolarHBondContact O-N 3.37Å; Y107-A111 VanDerWaalsContact O-N 3.12Å; L108-A111 PolarHBondContact O-N 3.29Å; A111-A114 PolarHBondContact O-N 3.44Å; A111-A115 PolarHBondContact O-N 3.08Å; A111-A115 VanDerWaalsContact O-N 3.15Å |
| 112 | G | 53.8 | Low | 47.8 | Very low | 41 Ų | 41 | 119.2 Ų | 119.2 | 42% | 0.423 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -66.5 | -35.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L108 E109 R116 | L108-G112 PolarHBondContact O-N 3.07Å; L108-G112 VanDerWaalsContact O-N 3.16Å; E109-G112 PolarHBondContact O-N 3.01Å; G112-R116 WeakPolarHBondContact O-CG 3.24Å; G112-R116 PolarHBondContact O-N 2.76Å |
| 113 | A | 51.8 | Low | 46.6 | Very low | 53 Ų | 53 | 112.6 Ų | 112.6 | 44% | 0.438 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -74.2 | -30.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E109 A110 | E109-A113 PolarHBondContact O-N 2.88Å; E109-A113 VanDerWaalsContact O-N 3.1Å; A110-A113 PolarHBondContact O-N 3.08Å |
| 114 | A | 50.3 | Low | 45.2 | Very low | 61 Ų | 61 | 114.6 Ų | 114.6 | 50% | 0.504 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -70.9 | -40.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | A110 A111 R116 R117 | A110-A114 PolarHBondContact O-N 3.46Å; A111-A114 PolarHBondContact O-N 3.44Å; A114-R116 PolarHBondContact O-N 2.92Å; A114-R117 PolarHBondContact O-N 3.02Å; A114-R117 VanDerWaalsContact O-N 3.09Å |
| 115 | A | 48.6 | Very low | 44.2 | Very low | 66 Ų | 66 | 116 Ų | 116 | 55% | 0.545 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -65 | -24.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A111 R117 S118 | A111-A115 PolarHBondContact O-N 3.08Å; A111-A115 VanDerWaalsContact O-N 3.15Å; A115-R117 VanDerWaalsContact C-N 3.33Å; A115-S118 PolarHBondContact O-OG 3.09Å |
| 116 | R | 43 | Very low | 43.5 | Very low | 215 Ų | 215 | 122.8 Ų | 122.8 | 81% | 0.811 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -15.4 | 174.4 | -74.9 | -87.9 | 174.8 | 161.4 | -4.6 | 113.7 | G112 A114 | G112-R116 WeakPolarHBondContact O-CG 3.24Å; G112-R116 PolarHBondContact O-N 2.76Å; A114-R116 PolarHBondContact O-N 2.92Å |
| 117 | R | 41.8 | Very low | 42.7 | Very low | 226 Ų | 226 | 128.7 Ų | 128.7 | 85% | 0.853 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | 1.4 | 180 | -76.9 | -157.1 | -93 | 170.8 | -8.4 | 114.9 | A114 A115 | A114-R117 PolarHBondContact O-N 3.02Å; A114-R117 VanDerWaalsContact O-N 3.09Å; A115-R117 VanDerWaalsContact C-N 3.33Å |
| 118 | S | 35.4 | Very low | 41.5 | Very low | 102 Ų | 102 | 127.2 Ų | 127.2 | 71% | 0.713 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -106.2 | 19.2 | 176.7 | 58.1 | 0 | 0 | 0 | 0 | 113.9 | A115 | A115-S118 PolarHBondContact O-OG 3.09Š|
| 119 | S | 40.3 | Very low | 40.4 | Very low | 100 Ų | 100 | 128.3 Ų | 128.3 | 70% | 0.699 | 70% | 0.703 | S | S | * | * | | | trans | -130.7 | 49.2 | -177 | -177.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 120 | E | 31.6 | Very low | 39.3 | Very low | 186 Ų | 186 | 127.1 Ų | 127.1 | 87% | 0.869 | 70% | 0.701 | S | S | * | * | | | trans | -147 | 95.7 | 166.7 | -67.6 | -165.1 | 127.5 | 0 | 0 | 111.4 | | |
| 121 | Q | 30.9 | Very low | 38.1 | Very low | 181 Ų | 181 | 131.9 Ų | 131.9 | 85% | 0.846 | 71% | 0.713 | S | S | * | * | | | trans | 168.5 | 122.3 | 130.2 | -97 | -83 | -50.4 | 0 | 0 | 112.9 | | |
| 122 | P | 39.4 | Very low | 36.7 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | | | trans | -101.9 | 131.9 | 164.1 | 34.6 | -23.3 | 0 | 0 | 0 | 111.5 | | |
| 123 | G | 28.4 | Very low | 35.7 | Very low | 70 Ų | 70 | 136.7 Ų | 136.7 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | | | trans | -176.3 | 101.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 124 | D | 28.5 | Very low | 35 | Very low | 139 Ų | 139 | 140.9 Ų | 140.9 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | | | | 77.2 | 94.2 | 99.9 | -165.6 | 25.7 | 0 | 0 | 0 | 113.5 | | |
| 125 | L | 34.2 | Very low | 34.2 | Very low | 173 Ų | 173 | 143.8 Ų | 143.8 | 91% | 0.906 | 77% | 0.769 | S | S | * | * | | | trans | -147.1 | 110.5 | 145.9 | -83.7 | -175.3 | 0 | 0 | 0 | 110.1 | | |
| 126 | R | 32.3 | Very low | 33.3 | Very low | 218 Ų | 218 | 145.5 Ų | 145.5 | 82% | 0.823 | 77% | 0.773 | S | S | * | * | | | trans | -78 | 134.6 | 160 | -62.6 | 174.8 | 62.9 | -169.6 | -2 | 109.5 | | |
| 127 | Q | 37.7 | Very low | 32.8 | Very low | 187 Ų | 187 | 144.6 Ų | 144.6 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | | | trans | -167.5 | 96.1 | 153 | -100.5 | 169.8 | 29.8 | 0 | 0 | 105.1 | | |
| 128 | D | 27.1 | Very low | 32.2 | Very low | 140 Ų | 140 | 139 Ų | 139 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | | | | 74.8 | 120.3 | 82.3 | -150.3 | 59.1 | 0 | 0 | 0 | 114.7 | | |
| 129 | L | 33.5 | Very low | 32.1 | Very low | 142 Ų | 142 | 141.7 Ų | 141.7 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | | | trans | 72.6 | 113 | 154 | -115.7 | 64.3 | 0 | 0 | 0 | 123.3 | | |
| 130 | D | 26.3 | Very low | 31.6 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | | | | 104.8 | 148.5 | 121.4 | -139.3 | 33.3 | 0 | 0 | 0 | 120.7 | | |
| 131 | Q | 29.6 | Very low | 32 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | trans | 82.1 | 91.8 | 172.6 | -108.2 | 86.4 | 71.3 | 0 | 0 | 118.3 | | |
| 132 | G | 26.2 | Very low | 32.2 | Very low | 69 Ų | 69 | 137 Ų | 137 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | | | trans | -68.4 | 158.5 | 151.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 133 | T | 34 | Very low | 32.6 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | | | trans | -163.4 | 117.2 | 144.2 | -68.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 134 | I | 36.2 | Very low | 33.7 | Very low | 141 Ų | 141 | 138.9 Ų | 138.9 | 72% | 0.723 | 77% | 0.769 | S | S | * | * | | | trans | -74.3 | 147 | 161.7 | -66.8 | 177.6 | 0 | 0 | 0 | 107.6 | | |
| 135 | P | 34.1 | Very low | 34.3 | Very low | 121 Ų | 121 | 137.5 Ų | 137.5 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | | | | -130.2 | 116.1 | 127.9 | 29.1 | -15.4 | 0 | 0 | 0 | 112.5 | | |
| 136 | T | 28.5 | Very low | 34.8 | Very low | 103 Ų | 103 | 135.4 Ų | 135.4 | 63% | 0.632 | 76% | 0.762 | S | S | * | * | | | trans | -40.5 | 126.1 | 151 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 137 | Q | 33.1 | Very low | 35.3 | Very low | 196 Ų | 196 | 131.4 Ų | 131.4 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | | | trans | -137.6 | 97.8 | 143.1 | -76.4 | -157.7 | 78.2 | 0 | 0 | 110.6 | | |
| 138 | T | 28.5 | Very low | 35.7 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 66% | 0.656 | 76% | 0.759 | S | S | * | * | | | trans | -57.9 | 139.4 | 153.9 | -38.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 139 | L | 32.9 | Very low | 36.7 | Very low | 159 Ų | 159 | 125.1 Ų | 125.1 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | | | | 167.5 | 114.9 | 127 | -85.3 | 167.8 | 0 | 0 | 0 | 111 | | |
| 140 | T | 30.9 | Very low | 37.4 | Very low | 131 Ų | 131 | 124.5 Ų | 124.5 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | | | trans | -119.2 | 141.8 | 153.8 | -46.7 | 0 | 0 | 0 | 0 | 106.2 | | |
| 141 | P | 38.8 | Very low | 38.1 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | | | | -143.2 | 121.5 | 126.4 | 30.1 | -12 | 0 | 0 | 0 | 114.4 | | |
| 142 | T | 36 | Very low | 39.4 | Very low | 131 Ų | 131 | 127.5 Ų | 127.5 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | 52 | 161.3 | 134.3 | 13.3 | 0 | 0 | 0 | 0 | 122.5 | | |
| 143 | P | 48.8 | Very low | 40.9 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | trans | -119.8 | -151.5 | -135.9 | 42.4 | -21.2 | 0 | 0 | 0 | 113.1 | | |
| 144 | P | 51.3 | Low | 41.4 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | cis | -116.3 | -171 | -42.9 | 42.6 | -26.3 | 0 | 0 | 0 | 111.3 | | |
| 145 | P | 39.7 | Very low | 42.1 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | | | | -147.4 | 150.4 | 75.5 | 36.6 | -15.8 | 0 | 0 | 0 | 116.6 | | |
| 146 | T | 45.7 | Very low | 42.8 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | 27 | 104.7 | 134.9 | -51.4 | 0 | 0 | 0 | 0 | 119.3 | | |
| 147 | T | 43 | Very low | 43.8 | Very low | 134 Ų | 134 | 132.4 Ų | 132.4 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | | | trans | -141.8 | 51.5 | 148 | 62.5 | 0 | 0 | 0 | 0 | 111.5 | S149 | T147-S149 VanDerWaalsContact C-N 3.31Å; T147-S149 PolarHBondContact O-N 3.21Å |
| 148 | A | 46.4 | Very low | 44.7 | Very low | 98 Ų | 98 | 130.5 Ų | 130.5 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | | | trans | -83.3 | 77.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 149 | S | 47.7 | Very low | 45.8 | Very low | 97 Ų | 97 | 131.5 Ų | 131.5 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | | | trans | -170.6 | 36.8 | 172.2 | -145.5 | 0 | 0 | 0 | 0 | 117.6 | T147 | T147-S149 VanDerWaalsContact C-N 3.31Å; T147-S149 PolarHBondContact O-N 3.21Å |
| 150 | V | 46.8 | Very low | 46.6 | Very low | 128 Ų | 128 | 130.9 Ų | 130.9 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -128.5 | -7.6 | 179.4 | -172.1 | 0 | 0 | 0 | 0 | 116.3 | | |
| 151 | Y | 42 | Very low | 47.5 | Very low | 232 Ų | 232 | 129.6 Ų | 129.6 | 91% | 0.91 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -124.1 | 12.4 | 175.2 | -96.7 | -87.6 | 0 | 0 | 0 | 116.2 | | |
| 152 | S | 56.5 | Low | 47.5 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | | | trans | -107.9 | 43.6 | -177.3 | -162.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 153 | Q | 58.5 | Low | 47.6 | Very low | 175 Ų | 175 | 129.6 Ų | 129.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -133 | 29.9 | -173 | -137.5 | 168.1 | 103.8 | 0 | 0 | 114.9 | | |
| 154 | M | 44.3 | Very low | 47.3 | Very low | 173 Ų | 173 | 130 Ų | 130 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -128.7 | 105.6 | 166.7 | -60.6 | -172.7 | 76 | 0 | 0 | 110 | | |
| 155 | N | 51.1 | Low | 46.7 | Very low | 160 Ų | 160 | 135 Ų | 135 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 86.8 | 108.1 | 168.6 | -49.2 | -39.8 | 0 | 0 | 0 | 115.6 | | |
| 156 | G | 47.9 | Very low | 46.7 | Very low | 89 Ų | 89 | 135.7 Ų | 135.7 | 92% | 0.918 | 80% | 0.801 | S | S | * | * | | | trans | -82.4 | 152.4 | -165.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 157 | G | 48.9 | Very low | 46.2 | Very low | 74 Ų | 74 | 137 Ų | 137 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | | | trans | -165.4 | 110 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 158 | L | 53.2 | Low | 45.8 | Very low | 156 Ų | 156 | 136.6 Ų | 136.6 | 82% | 0.817 | 80% | 0.799 | S | S | * | * | | | trans | -61.1 | 136.6 | 178.5 | -77.9 | 146.9 | 0 | 0 | 0 | 111 | I160 | L158-I160 HydrophobicContact CB-CG1 4.47Š|
| 159 | P | 51.7 | Low | 46.1 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | | | trans | -85.9 | 115.1 | 166.1 | 31.9 | -25.8 | 0 | 0 | 0 | 108.7 | | |
| 160 | I | 50.3 | Low | 45.9 | Very low | 146 Ų | 146 | 140.5 Ų | 140.5 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | | | trans | -124.1 | 139.2 | 169.9 | -61.2 | -177.3 | 0 | 0 | 0 | 109 | L158 | L158-I160 HydrophobicContact CB-CG1 4.47Š|
| 161 | P | 49.3 | Very low | 45.6 | Very low | 104 Ų | 104 | 139 Ų | 139 | 68% | 0.675 | 80% | 0.8 | S | S | * | * | | | trans | -107.5 | 163.4 | -142.1 | 38.6 | -29.7 | 0 | 0 | 0 | 115.6 | | |
| 162 | N | 37.8 | Very low | 45.2 | Very low | 165 Ų | 165 | 133.1 Ų | 133.1 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | | | trans | 32.6 | 90.3 | 146.3 | -64.6 | -43.2 | 0 | 0 | 0 | 121.1 | | |
| 163 | G | 38.3 | Very low | 44.5 | Very low | 74 Ų | 74 | 131.7 Ų | 131.7 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | | | trans | 63.5 | 171.2 | 149.8 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 164 | P | 42.1 | Very low | 43.9 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | | | cis | -140.3 | 171.6 | 3.8 | 44.5 | -26.2 | 0 | 0 | 0 | 117.3 | | |
| 165 | R | 39.8 | Very low | 43.6 | Very low | 218 Ų | 218 | 130.8 Ų | 130.8 | 82% | 0.823 | 78% | 0.777 | S | S | * | * | | | trans | 81.6 | 112.2 | 147.8 | -77.6 | -168.8 | 159.9 | -160.3 | -6.2 | 124.2 | | |
| 166 | I | 40.3 | Very low | 42.9 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 64% | 0.641 | 78% | 0.778 | S | S | * | * | | | | 65.2 | 140.4 | 126.7 | -38.1 | 172.2 | 0 | 0 | 0 | 119.2 | | |
| 167 | I | 34.1 | Very low | 42.4 | Very low | 157 Ų | 157 | 129.2 Ų | 129.2 | 81% | 0.805 | 77% | 0.771 | S | S | * | * | | | trans | 82.6 | 102.9 | 152.6 | 29.6 | -171.7 | 0 | 0 | 0 | 120.3 | | |
| 168 | T | 34.2 | Very low | 41.6 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 77% | 0.767 | 77% | 0.774 | S | S | * | * | | | trans | -63.1 | 169.8 | 136.5 | 44.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 169 | P | 54.5 | Low | 41 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | | | cis | -135 | 168 | -16.3 | 35.3 | -17 | 0 | 0 | 0 | 113.6 | | |
| 170 | D | 43.4 | Very low | 40.6 | Very low | 154 Ų | 154 | 129.7 Ų | 129.7 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | | | trans | -163 | 149.6 | 140.8 | -155.4 | 5.5 | 0 | 0 | 0 | 113.1 | | |
| 171 | S | 38.7 | Very low | 39.9 | Very low | 96 Ų | 96 | 130.4 Ų | 130.4 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | | | trans | -38.5 | 156.8 | 178.5 | -52.9 | 0 | 0 | 0 | 0 | 121.5 | | |
| 172 | S | 34.3 | Very low | 39.8 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | trans | 59 | 138.5 | 132.4 | -158.2 | 0 | 0 | 0 | 0 | 117.8 | | |
| 173 | S | 42.6 | Very low | 40.2 | Very low | 90 Ų | 90 | 129.8 Ų | 129.8 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | | | cis | -171.6 | -176.1 | 14.6 | 20.9 | 0 | 0 | 0 | 0 | 106.3 | | |
| 174 | E | 44.5 | Very low | 40.7 | Very low | 166 Ų | 166 | 135.5 Ų | 135.5 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | trans | 122.8 | 98.6 | 143.1 | -48.6 | -140.5 | 125.5 | 0 | 0 | 116.2 | | |
| 175 | E | 39 | Very low | 40.8 | Very low | 163 Ų | 163 | 135 Ų | 135 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | | | trans | 49.2 | 105.3 | 131.9 | -36.9 | -55.1 | 89.1 | 0 | 0 | 120.3 | | |
| 176 | A | 36.6 | Very low | 40.9 | Very low | 107 Ų | 107 | 130.7 Ų | 130.7 | 88% | 0.884 | 77% | 0.77 | S | S | * | * | | | trans | -141.7 | 115.1 | 139.5 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 177 | S | 36.1 | Very low | 41.6 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | | | trans | -82.5 | 156.6 | -176.9 | -74.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 178 | S | 32.2 | Very low | 42.2 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | trans | 80.7 | 105.2 | 152.2 | -75.3 | 0 | 0 | 0 | 0 | 120.3 | | |
| 179 | S | 41.4 | Very low | 43 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | | | | -148.2 | 125.7 | 122 | -177.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 180 | T | 42.5 | Very low | 42.8 | Very low | 127 Ų | 127 | 130.5 Ų | 130.5 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | | | trans | -72.2 | 118 | -172.5 | 47.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 181 | H | 36.7 | Very low | 43.1 | Very low | 161 Ų | 161 | 130.6 Ų | 130.6 | 75% | 0.745 | 78% | 0.781 | S | S | * | * | | | trans | -146 | 104.3 | 147.7 | -162.2 | 67.3 | 0 | 0 | 0 | 111.3 | Q183 | H181-Q183 PolarHBondContact O-N 3.3Š|
| 182 | S | 48 | Very low | 44 | Very low | 103 Ų | 103 | 136 Ų | 136 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | | | trans | -70.2 | 110.1 | 169.4 | -79.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 183 | Q | 45.7 | Very low | 45.1 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 71% | 0.71 | 79% | 0.79 | S | S | * | * | | | trans | -135.9 | 106 | 152 | -79.5 | -76.1 | -26.3 | 0 | 0 | 108 | H181 T185 | H181-Q183 PolarHBondContact O-N 3.3Å; Q183-T185 PolarHBondContact O-N 3.37Å; Q183-T185 VanDerWaalsContact O-N 3.13Å |
| 184 | K | 48.1 | Very low | 46.5 | Very low | 195 Ų | 195 | 143.7 Ų | 143.7 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | | | trans | -71.5 | 97.5 | 180 | -51.5 | 167.3 | 179.4 | -177.8 | 0 | 108 | | |
| 185 | T | 44.7 | Very low | 47.5 | Very low | 113 Ų | 113 | 141 Ų | 141 | 69% | 0.693 | 79% | 0.787 | S | S | * | * | | | trans | -139.9 | 94.3 | 152.8 | 54.5 | 0 | 0 | 0 | 0 | 108.7 | Q183 R187 | Q183-T185 PolarHBondContact O-N 3.37Å; Q183-T185 VanDerWaalsContact O-N 3.13Å; T185-R187 PolarHBondContact O-N 3.23Å |
| 186 | S | 42.4 | Very low | 49.3 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | | | trans | -61.5 | 102.9 | 167.6 | -166.7 | 0 | 0 | 0 | 0 | 107.5 | T188 | S186-T188 PolarHBondContact O-N 2.82Š|
| 187 | R | 54.2 | Low | 50.6 | Low | 203 Ų | 203 | 145.4 Ų | 145.4 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | | | trans | -76.4 | 118.6 | 176.5 | -76.7 | -178.7 | 150.5 | -175.3 | -6.1 | 107.8 | T185 S189 | T185-R187 PolarHBondContact O-N 3.23Å; R187-S189 PolarHBondContact O-N 2.75Å |
| 188 | T | 45.9 | Very low | 51.8 | Low | 129 Ų | 129 | 144.4 Ų | 144.4 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | trans | -63.2 | 129 | 173.5 | 51.7 | 0 | 0 | 0 | 0 | 109.9 | S186 G190 | S186-T188 PolarHBondContact O-N 2.82Å; T188-G190 PolarHBondContact O-N 2.85Å; T188-G190 VanDerWaalsContact O-N 3.07Å |
| 189 | S | 50.8 | Low | 53.7 | Low | 132 Ų | 132 | 144.5 Ų | 144.5 | 92% | 0.923 | 77% | 0.765 | S | S | * | * | | | trans | -58.4 | 108.3 | 165.1 | -62.2 | 0 | 0 | 0 | 0 | 108.7 | R187 | R187-S189 PolarHBondContact O-N 2.75Š|
| 190 | G | 50.6 | Low | 55.3 | Low | 62 Ų | 62 | 148.1 Ų | 148.1 | 64% | 0.639 | 77% | 0.765 | S | S | * | * | | | trans | -137.7 | 102.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | T188 R192 | T188-G190 PolarHBondContact O-N 2.85Å; T188-G190 VanDerWaalsContact O-N 3.07Å; G190-R192 PolarHBondContact O-N 3.03Å |
| 191 | T | 49.3 | Very low | 56.7 | Low | 156 Ų | 156 | 147.5 Ų | 147.5 | 96% | 0.957 | 76% | 0.756 | S | S | * | * | | | trans | -66.6 | 62.1 | 177.2 | -42.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 192 | R | 58.5 | Low | 58.3 | Low | 210 Ų | 210 | 146.3 Ų | 146.3 | 79% | 0.792 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -156.5 | 112.5 | 163.9 | -174 | 170.2 | 169.7 | -175.6 | -2.4 | 109.3 | G190 R194 | G190-R192 PolarHBondContact O-N 3.03Å; R192-R194 PolarHBondContact O-N 3.42Å |
| 193 | E | 56.8 | Low | 59.2 | Low | 177 Ų | 177 | 150.8 Ų | 150.8 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | | | trans | -42.2 | 105.8 | 165.2 | -172.6 | -179.5 | -172.8 | 0 | 0 | 109.6 | | |
| 194 | R | 71.8 | Confident | 60.4 | Low | 184 Ų | 184 | 151 Ų | 151 | 69% | 0.694 | 76% | 0.757 | S | S | * | * | | | trans | -111.6 | 101.2 | 167.1 | -72.6 | -172.1 | -65.3 | 146 | -4.2 | 105.3 | R192 R196 | R192-R194 PolarHBondContact O-N 3.42Å; R194-R196 PolarHBondContact O-N 3.45Å |
| 195 | V | 66.7 | Low | 61.3 | Low | 109 Ų | 109 | 145.8 Ų | 145.8 | 66% | 0.661 | 75% | 0.751 | S | S | * | * | | | trans | -50.8 | 113.3 | 171.7 | 179.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 196 | R | 77.5 | Confident | 62.2 | Low | 147 Ų | 147 | 148 Ų | 148 | 56% | 0.555 | 76% | 0.757 | S | S | * | * | | | trans | -86.1 | 125.1 | 173.8 | -58.9 | -172.7 | 99.5 | 88.6 | -2.4 | 106.3 | R194 S198 D199 | R194-R196 PolarHBondContact O-N 3.45Å; R196-S198 PolarHBondContact O-N 3.24Å; R196-D199 PolarHBondContact O-N 2.75Å |
| 197 | F | 63.1 | Low | 62.9 | Low | 215 Ų | 215 | 147.5 Ų | 147.5 | 94% | 0.943 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | 12.5 | 179 | -71.9 | -83 | 0 | 0 | 0 | 115.3 | | |
| 198 | S | 61.8 | Low | 62.7 | Low | 88 Ų | 88 | 143.7 Ų | 143.7 | 62% | 0.615 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | -6.7 | 174.8 | 56.3 | 0 | 0 | 0 | 0 | 113.8 | R196 K200 | R196-S198 PolarHBondContact O-N 3.24Å; S198-K200 PolarHBondContact O-N 2.81Å |
| 199 | D | 71.9 | Confident | 63.3 | Low | 120 Ų | 120 | 144.5 Ų | 144.5 | 64% | 0.642 | 76% | 0.755 | S | S | * | * | | | trans | -75 | 92.4 | 172.6 | -77.6 | -8.2 | 0 | 0 | 0 | 108.8 | R196 I201 | R196-D199 PolarHBondContact O-N 2.75Å; D199-I201 VanDerWaalsContact C-N 3.32Å; D199-I201 HydrophobicContact CB-CD1 4.02Å; D199-I201 PolarHBondContact O-N 3.19Å |
| 200 | K | 73.4 | Confident | 63.6 | Low | 200 Ų | 200 | 144.4 Ų | 144.4 | 87% | 0.87 | 74% | 0.744 | S | S | * | * | | | trans | -69.6 | 93.2 | 170.6 | -65 | -176.6 | -179.2 | -175.6 | 0 | 107.6 | S198 L202 | S198-K200 PolarHBondContact O-N 2.81Å; K200-L202 PolarHBondContact O-N 3.39Å; K200-L202 VanDerWaalsContact O-N 3.14Å |
| 201 | I | 73.6 | Confident | 63.9 | Low | 115 Ų | 115 | 147.2 Ų | 147.2 | 59% | 0.59 | 75% | 0.745 | S | S | * | * | | | trans | -70.2 | 108 | 172.1 | -42.6 | -58.9 | 0 | 0 | 0 | 106.9 | D199 Y203 | D199-I201 VanDerWaalsContact C-N 3.32Å; D199-I201 HydrophobicContact CB-CD1 4.02Å; D199-I201 PolarHBondContact O-N 3.19Å; I201-Y203 HydrophobicContact CB-CE2 4.3Å; I201-Y203 HydrophobicContact CG2-CE2 4.31Å; I201-Y203 PolarHBondContact O-N 3.15Å |
| 202 | L | 69.3 | Low | 64 | Low | 136 Ų | 136 | 148.5 Ų | 148.5 | 71% | 0.712 | 74% | 0.74 | S | S | * | * | | | trans | -81.6 | 101.8 | 174 | -175.7 | 65.5 | 0 | 0 | 0 | 107.7 | K200 H204 | K200-L202 PolarHBondContact O-N 3.39Å; K200-L202 VanDerWaalsContact O-N 3.14Å; L202-H204 PolarHBondContact O-N 3.34Å; L202-H204 VanDerWaalsContact O-N 3.15Å |
| 203 | Y | 66.4 | Low | 63.7 | Low | 197 Ų | 197 | 146.9 Ų | 146.9 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | | | trans | -69.1 | 108.6 | 169.2 | -68 | -88.3 | 0 | 0 | 0 | 108.1 | I201 A205 | I201-Y203 HydrophobicContact CB-CE2 4.3Å; I201-Y203 HydrophobicContact CG2-CE2 4.31Å; I201-Y203 PolarHBondContact O-N 3.15Å; Y203-A205 PolarHBondContact O-N 3.3Å |
| 204 | H | 70.7 | Confident | 63.4 | Low | 156 Ų | 156 | 146.2 Ų | 146.2 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | | | trans | -69.9 | 105.7 | 157 | -73.3 | -78.6 | 0 | 0 | 0 | 105.9 | L202 L206 | L202-H204 PolarHBondContact O-N 3.34Å; L202-H204 VanDerWaalsContact O-N 3.15Å; H204-L206 PolarHBondContact O-N 3.14Å |
| 205 | A | 68.3 | Low | 62.1 | Low | 86 Ų | 86 | 146 Ų | 146 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | | | trans | -57.2 | 114.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 105.5 | Y203 C207 | Y203-A205 PolarHBondContact O-N 3.3Å; A205-C207 VanDerWaalsContact C-N 3.3Å; A205-C207 PolarHBondContact O-N 3.33Å |
| 206 | L | 63.6 | Low | 61.2 | Low | 159 Ų | 159 | 148.9 Ų | 148.9 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | | | trans | -57.5 | 102.4 | 171.7 | -63.9 | 165.9 | 0 | 0 | 0 | 105.3 | H204 C208 | H204-L206 PolarHBondContact O-N 3.14Å; L206-C208 PolarHBondContact O-N 3.35Å; L206-C208 VanDerWaalsContact O-N 3.08Å |
| 207 | C | 56.4 | Low | 59.7 | Low | 117 Ų | 117 | 149.9 Ų | 149.9 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | | | trans | -59.9 | 114.2 | 164.8 | -63.3 | 0 | 0 | 0 | 0 | 105 | A205 D209 | A205-C207 VanDerWaalsContact C-N 3.3Å; A205-C207 PolarHBondContact O-N 3.33Å; C207-D209 PolarHBondContact O-N 3.16Å |
| 208 | C | 49.3 | Very low | 59 | Low | 122 Ų | 122 | 148.2 Ų | 148.2 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | | | trans | -63.7 | 95.3 | 164.7 | -63.4 | 0 | 0 | 0 | 0 | 106.3 | L206 D210 | L206-C208 PolarHBondContact O-N 3.35Å; L206-C208 VanDerWaalsContact O-N 3.08Å; C208-D210 PolarHBondContact O-N 2.97Å |
| 209 | D | 60.2 | Low | 58.1 | Low | 146 Ų | 146 | 151.6 Ų | 151.6 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | | | trans | -83.5 | 57.5 | 165.9 | -149.6 | 30.8 | 0 | 0 | 0 | 106.8 | C207 | C207-D209 PolarHBondContact O-N 3.16Š|
| 210 | D | 57.2 | Low | 56.9 | Low | 131 Ų | 131 | 157.9 Ų | 157.9 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | | | trans | -107.2 | 86.1 | 174.4 | -144 | 12.1 | 0 | 0 | 0 | 105.9 | C208 E212 | C208-D210 PolarHBondContact O-N 2.97Å; D210-E212 PolarHBondContact O-N 2.98Å |
| 211 | D | 56.8 | Low | 55.3 | Low | 121 Ų | 121 | 157.1 Ų | 157.1 | 65% | 0.647 | 78% | 0.782 | S | S | * | * | | | trans | -63.1 | 99.6 | 168.1 | -68.1 | -47.9 | 0 | 0 | 0 | 107.6 | E213 | D211-E213 VanDerWaalsContact C-N 3.26Å; D211-E213 HydrophobicContact CB-CG 4.34Å; D211-E213 PolarHBondContact O-N 3.05Å |
| 212 | E | 51.2 | Low | 53.4 | Low | 183 Ų | 183 | 158 Ų | 158 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | | | trans | -75.3 | 86.6 | 166.6 | -58.6 | -166.4 | -148.9 | 0 | 0 | 108.3 | D210 E214 | D210-E212 PolarHBondContact O-N 2.98Å; E212-E214 PolarHBondContact O-N 3.04Å |
| 213 | E | 51.5 | Low | 52 | Low | 175 Ų | 175 | 159.4 Ų | 159.4 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -64.7 | 106.8 | 172.4 | -54.9 | 179.7 | -137.7 | 0 | 0 | 110.3 | D211 | D211-E213 VanDerWaalsContact C-N 3.26Å; D211-E213 HydrophobicContact CB-CG 4.34Å; D211-E213 PolarHBondContact O-N 3.05Å |
| 214 | E | 50.4 | Low | 50.5 | Low | 163 Ų | 163 | 155.7 Ų | 155.7 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | | | trans | 39.8 | 100.3 | 139 | -157.5 | 169.5 | -132.1 | 0 | 0 | 118.6 | E212 Q216 | E212-E214 PolarHBondContact O-N 3.04Å; E214-Q216 HydrophobicContact CG-CB 4.45Å |
| 215 | E | 46 | Very low | 48.9 | Very low | 181 Ų | 181 | 151.9 Ų | 151.9 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | trans | -125.1 | 92.3 | 149.4 | -147.6 | 167.7 | -141.6 | 0 | 0 | 109.9 | | |
| 216 | Q | 47.2 | Very low | 47.3 | Very low | 169 Ų | 169 | 158.7 Ų | 158.7 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | | | trans | -99.3 | 73.2 | 174 | -158.2 | 160.1 | 103.2 | 0 | 0 | 107.2 | E214 E218 | E214-Q216 HydrophobicContact CG-CB 4.45Å; Q216-E218 PolarHBondContact O-N 3.26Å |
| 217 | E | 45.3 | Very low | 45.8 | Very low | 167 Ų | 167 | 154.7 Ų | 154.7 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | | | trans | -92.3 | 87.1 | 168.4 | -92.6 | -168.4 | 168.1 | 0 | 0 | 110.4 | L219 | E217-L219 PolarHBondContact O-N 2.79Å; E217-L219 VanDerWaalsContact O-N 3.16Å |
| 218 | E | 47.8 | Very low | 45.1 | Very low | 180 Ų | 180 | 155.4 Ų | 155.4 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | | | | 10.3 | 88.6 | 125.1 | -165.6 | 174.3 | -164.4 | 0 | 0 | 116.2 | Q216 | Q216-E218 PolarHBondContact O-N 3.26Š|
| 219 | L | 44.8 | Very low | 44.8 | Very low | 160 Ų | 160 | 154.8 Ų | 154.8 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | trans | -144.1 | 67.3 | 155.8 | -167.6 | 85.5 | 0 | 0 | 0 | 110.8 | E217 | E217-L219 PolarHBondContact O-N 2.79Å; E217-L219 VanDerWaalsContact O-N 3.16Å |
| 220 | R | 44.7 | Very low | 43.4 | Very low | 251 Ų | 251 | 154.4 Ų | 154.4 | 95% | 0.947 | 79% | 0.786 | S | S | * | * | | | trans | -151.3 | 80.5 | 152.6 | -72 | -151.7 | -174.9 | -116.7 | -0.5 | 111.4 | | |
| 221 | E | 40 | Very low | 42.4 | Very low | 184 Ų | 184 | 154 Ų | 154 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | -145.7 | 98.2 | 152.9 | -151.3 | 166.9 | -160.8 | 0 | 0 | 110.2 | | |
| 222 | D | 34.9 | Very low | 41.3 | Very low | 134 Ų | 134 | 155.3 Ų | 155.3 | 72% | 0.717 | 80% | 0.8 | S | S | * | * | | | | 167 | 147.4 | 119.5 | -167.9 | 24.8 | 0 | 0 | 0 | 110.5 | | |
| 223 | K | 40 | Very low | 40.7 | Very low | 166 Ų | 166 | 153.4 Ų | 153.4 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | | | trans | 85.8 | 93.1 | 162.9 | -119.9 | 84.7 | 174.8 | -164.2 | 0 | 119.9 | | |
| 224 | S | 34.5 | Very low | 40.3 | Very low | 118 Ų | 118 | 153.1 Ų | 153.1 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | | 108.1 | 94.6 | 124.1 | 75.9 | 0 | 0 | 0 | 0 | 117 | | |
| 225 | G | 37.9 | Very low | 40.2 | Very low | 76 Ų | 76 | 150.4 Ų | 150.4 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | | | trans | -90.9 | 148.9 | 143.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 226 | Y | 33.5 | Very low | 39.4 | Very low | 229 Ų | 229 | 145 Ų | 145 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | | | | 163.5 | 119.5 | 121.9 | -166.9 | -105.4 | 0 | 0 | 0 | 112.2 | | |
| 227 | A | 33.2 | Very low | 38.8 | Very low | 75 Ų | 75 | 145.5 Ų | 145.5 | 62% | 0.62 | 80% | 0.797 | S | S | * | * | | | trans | 60.1 | 132.9 | 145.5 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 228 | T | 40.8 | Very low | 38.4 | Very low | 132 Ų | 132 | 146.2 Ų | 146.2 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | | | trans | -62.5 | 168.4 | 154 | 45.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 229 | P | 43.7 | Very low | 37.6 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | | | cis | -149.6 | 177.1 | 40.1 | 40.6 | -17.3 | 0 | 0 | 0 | 119.2 | | |
| 230 | D | 29.8 | Very low | 37.1 | Very low | 139 Ų | 139 | 139.6 Ų | 139.6 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | | | trans | 60.9 | 116.4 | 151.1 | -85.4 | -39.9 | 0 | 0 | 0 | 122.1 | | |
| 231 | S | 36.5 | Very low | 36.5 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | | -166 | 116.8 | 123.3 | -80.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 232 | D | 34.4 | Very low | 36.4 | Very low | 147 Ų | 147 | 130.6 Ų | 130.6 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | | | trans | -47.5 | 141.7 | 163.3 | -75.6 | -62.3 | 0 | 0 | 0 | 113.3 | | |
| 233 | T | 36.8 | Very low | 36.7 | Very low | 144 Ų | 144 | 128.2 Ų | 128.2 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | | | | -171.5 | 120.3 | 122.7 | -67.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 234 | E | 43.7 | Very low | 36.7 | Very low | 169 Ų | 169 | 126.5 Ų | 126.5 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | | | trans | -86 | -173.7 | 179.5 | -115.6 | -77.6 | 106.6 | 0 | 0 | 110.8 | | |
| 235 | P | 48.7 | Very low | 36.7 | Very low | 106 Ų | 106 | 130.4 Ų | 130.4 | 69% | 0.688 | 80% | 0.8 | S | S | * | * | | | | -123 | -175.4 | -112.9 | 46.2 | -31.5 | 0 | 0 | 0 | 114.5 | | |
| 236 | G | 30.1 | Very low | 36.5 | Very low | 67 Ų | 67 | 138.8 Ų | 138.8 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | | | trans | 165.7 | 141.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 237 | L | 33.9 | Very low | 36.4 | Very low | 180 Ų | 180 | 133.6 Ų | 133.6 | 94% | 0.942 | 81% | 0.806 | S | S | * | * | | | cis | -159.4 | 156 | 11.8 | -86.8 | 161.8 | 0 | 0 | 0 | 108.2 | | |
| 238 | L | 36.9 | Very low | 36.7 | Very low | 182 Ų | 182 | 135.2 Ų | 135.2 | 95% | 0.953 | 81% | 0.812 | S | S | * | * | | | trans | -62.4 | 151.6 | 171.9 | -64.1 | 165.2 | 0 | 0 | 0 | 113 | | |
| 239 | G | 30.1 | Very low | 36.5 | Very low | 75 Ų | 75 | 134.6 Ų | 134.6 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | | | trans | 172.9 | 100.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 240 | S | 34 | Very low | 36.3 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 88% | 0.881 | 82% | 0.821 | S | S | * | * | | | trans | 77 | 106.2 | 148.6 | -76 | 0 | 0 | 0 | 0 | 122.9 | | |
| 241 | S | 33.4 | Very low | 36.5 | Very low | 110 Ų | 110 | 140.5 Ų | 140.5 | 77% | 0.769 | 83% | 0.827 | S | S | * | * | | | trans | -12.1 | 142 | 130.7 | -170.5 | 0 | 0 | 0 | 0 | 118 | | |
| 242 | V | 38.1 | Very low | 36.5 | Very low | 135 Ų | 135 | 139.5 Ų | 139.5 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | | -173.6 | 128 | 127.2 | 150.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 243 | A | 40.3 | Very low | 36.8 | Very low | 84 Ų | 84 | 139.2 Ų | 139.2 | 69% | 0.694 | 82% | 0.817 | S | S | * | * | | | trans | -75 | 163.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 244 | P | 39.9 | Very low | 36.8 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | | | trans | -124.2 | 144.6 | 143.9 | 0.4 | 21.9 | 0 | 0 | 0 | 115 | | |
| 245 | K | 34.1 | Very low | 36.4 | Very low | 201 Ų | 201 | 139.9 Ų | 139.9 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | | | trans | -77.1 | 151.8 | -176.2 | -69.2 | 171.5 | 170.4 | 176.9 | 0 | 112.9 | | |
| 246 | R | 34.6 | Very low | 35.8 | Very low | 252 Ų | 252 | 142.3 Ų | 142.3 | 95% | 0.951 | 82% | 0.815 | S | S | * | * | | | trans | -55.2 | 141.4 | 155.3 | -72.6 | 179.9 | 153.2 | 145 | -4.3 | 111 | | |
| 247 | S | 31.7 | Very low | 35.9 | Very low | 120 Ų | 120 | 144.2 Ų | 144.2 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | | | trans | -135.2 | 136.6 | 161.8 | -168.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 248 | S | 39.2 | Very low | 36.2 | Very low | 109 Ų | 109 | 143.3 Ų | 143.3 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | | | trans | -76.6 | 160.2 | 174.8 | 52.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 249 | S | 35.7 | Very low | 36.2 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | trans | -162.5 | 120.5 | 141.2 | 64 | 0 | 0 | 0 | 0 | 110.8 | | |
| 250 | E | 39.4 | Very low | 36.9 | Very low | 186 Ų | 186 | 143.7 Ų | 143.7 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | | | trans | -79.6 | 143 | 163.1 | -60.3 | -177 | 122.6 | 0 | 0 | 109.9 | | |
| 251 | H | 34 | Very low | 37.2 | Very low | 186 Ų | 186 | 142.2 Ų | 142.2 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | | | trans | -158.4 | 115.7 | 143 | -129 | -80.3 | 0 | 0 | 0 | 111.2 | | |
| 252 | S | 38 | Very low | 37.5 | Very low | 102 Ų | 102 | 148.1 Ų | 148.1 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | | | trans | -69.7 | 149.7 | 162.4 | -170 | 0 | 0 | 0 | 0 | 109.8 | | |
| 253 | L | 39.7 | Very low | 37.3 | Very low | 140 Ų | 140 | 145.3 Ų | 145.3 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | | | trans | 174.6 | 109.9 | 136.9 | -84.7 | -173.5 | 0 | 0 | 0 | 111.6 | | |
| 254 | L | 36.8 | Very low | 36.9 | Very low | 136 Ų | 136 | 147.3 Ų | 147.3 | 71% | 0.712 | 81% | 0.807 | S | S | * | * | | | trans | 73.1 | 117.5 | 130.3 | -59.5 | 176.9 | 0 | 0 | 0 | 123 | | |
| 255 | Y | 35.8 | Very low | 36.7 | Very low | 192 Ų | 192 | 145.9 Ų | 145.9 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | | | | 52.5 | 121.2 | 127.3 | -99.6 | -98.3 | 0 | 0 | 0 | 119.9 | | |
| 256 | N | 35.6 | Very low | 37.7 | Very low | 157 Ų | 157 | 141.6 Ų | 141.6 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | | | trans | -156.1 | 99.7 | 137.4 | -90 | -47.1 | 0 | 0 | 0 | 111 | | |
| 257 | C | 32.5 | Very low | 37.8 | Very low | 107 Ų | 107 | 135.6 Ų | 135.6 | 72% | 0.723 | 78% | 0.784 | S | S | * | * | | | trans | -96.6 | 123.5 | 157.7 | -60.2 | 0 | 0 | 0 | 0 | 107.4 | | |
| 258 | L | 40.8 | Very low | 38.2 | Very low | 160 Ų | 160 | 139.3 Ų | 139.3 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | | | trans | -138.7 | 108.4 | 163.9 | -80.1 | 167.3 | 0 | 0 | 0 | 109.3 | | |
| 259 | D | 36.2 | Very low | 37.9 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | | | trans | -98.7 | 143.2 | 154.5 | -170.7 | 21.6 | 0 | 0 | 0 | 107 | | |
| 260 | P | 44.7 | Very low | 38 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | trans | -124.4 | 128.3 | 149.2 | -2.5 | 24.2 | 0 | 0 | 0 | 115.2 | | |
| 261 | S | 40 | Very low | 37.9 | Very low | 96 Ų | 96 | 138.3 Ų | 138.3 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | | | trans | -71.9 | 149.5 | 174.2 | 178.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 262 | Y | 41.5 | Very low | 37.8 | Very low | 234 Ų | 234 | 132.9 Ų | 132.9 | 92% | 0.918 | 78% | 0.776 | S | S | * | * | | | trans | 28.1 | 135.3 | 146.3 | -76.4 | -103.1 | 0 | 0 | 0 | 122.2 | | |
| 263 | G | 32.9 | Very low | 37.8 | Very low | 75 Ų | 75 | 132.2 Ų | 132.2 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | trans | 164.6 | 100.5 | 148.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 264 | S | 32.5 | Very low | 37.7 | Very low | 127 Ų | 127 | 134 Ų | 134 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | | | trans | 56.7 | 127.9 | 141.2 | -151.4 | 0 | 0 | 0 | 0 | 124.3 | | |
| 265 | S | 35.9 | Very low | 37.7 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | | | trans | -69.7 | 166.6 | 158.7 | -159.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 266 | P | 53.8 | Low | 37.9 | Very low | 110 Ų | 110 | 132.9 Ų | 132.9 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | | | | -156.3 | 171.2 | 81.2 | 35.9 | -11.8 | 0 | 0 | 0 | 119.7 | | |
| 267 | V | 37.6 | Very low | 38.5 | Very low | 127 Ų | 127 | 131 Ų | 131 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | | | trans | 79.3 | 117.5 | 145.1 | -72.4 | 0 | 0 | 0 | 0 | 126 | | |
| 268 | K | 40.5 | Very low | 38.9 | Very low | 198 Ų | 198 | 136.8 Ų | 136.8 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | | | | 149.3 | 114.5 | 111.9 | -103.1 | 172.8 | 179.7 | 178.2 | 0 | 113.1 | | |
| 269 | A | 32.8 | Very low | 38.7 | Very low | 87 Ų | 87 | 138.9 Ų | 138.9 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | | | | 67.8 | 137 | 105.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 270 | M | 37.6 | Very low | 38.6 | Very low | 164 Ų | 164 | 135.5 Ų | 135.5 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | | | cis | -173.4 | 169.4 | 24.4 | -164.2 | 103.5 | 73.7 | 0 | 0 | 108.9 | | |
| 271 | T | 35.9 | Very low | 38.5 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 87% | 0.871 | 80% | 0.801 | S | S | * | * | | | trans | 81.1 | 136.6 | 162.7 | 69.7 | 0 | 0 | 0 | 0 | 117.4 | | |
| 272 | G | 33.5 | Very low | 38.4 | Very low | 72 Ų | 72 | 140.9 Ų | 140.9 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | | | cis | -164.3 | 163.2 | 8.4 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 273 | A | 37.8 | Very low | 38.4 | Very low | 87 Ų | 87 | 136.4 Ų | 136.4 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | | | trans | -98 | 140.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 274 | H | 36.7 | Very low | 39 | Very low | 177 Ų | 177 | 138.8 Ų | 138.8 | 82% | 0.819 | 80% | 0.804 | S | S | * | * | | | trans | -147.3 | 119.9 | 160.3 | -62.7 | -66.7 | 0 | 0 | 0 | 113.5 | | |
| 275 | T | 38.3 | Very low | 39.5 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | | | trans | 71.8 | 113.8 | 145.3 | 66.6 | 0 | 0 | 0 | 0 | 123.2 | | |
| 276 | L | 39.4 | Very low | 39.9 | Very low | 167 Ų | 167 | 136.8 Ų | 136.8 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | | | trans | -73.3 | 177.8 | 152.5 | -62.4 | 171.1 | 0 | 0 | 0 | 110.3 | | |
| 277 | P | 48.3 | Very low | 39.6 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | | | cis | -152.2 | 166.6 | 19 | 42.9 | -20.4 | 0 | 0 | 0 | 120.7 | | |
| 278 | R | 39.4 | Very low | 40.5 | Very low | 230 Ų | 230 | 146.1 Ų | 146.1 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | | | trans | 68 | 118.3 | 134 | -164.1 | 179.6 | -175.2 | 176.2 | 1.7 | 122.8 | | |
| 279 | K | 37.1 | Very low | 41.4 | Very low | 204 Ų | 204 | 145.4 Ų | 145.4 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | | | trans | 156.6 | 127.1 | 130.3 | -83.5 | 163.4 | -171.5 | -176.9 | 0 | 106.4 | | |
| 280 | G | 34 | Very low | 42.4 | Very low | 74 Ų | 74 | 149.1 Ų | 149.1 | 76% | 0.763 | 82% | 0.815 | S | S | * | * | | | cis | 125 | 106.6 | 24.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 281 | L | 42.9 | Very low | 43.1 | Very low | 163 Ų | 163 | 148.6 Ų | 148.6 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | | | trans | 83.1 | 107.9 | 163.5 | -129 | 76 | 0 | 0 | 0 | 119.1 | | |
| 282 | L | 39.1 | Very low | 44.1 | Very low | 165 Ų | 165 | 152.3 Ų | 152.3 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | | | | 166.3 | 118.3 | 114.1 | -82.2 | 165.6 | 0 | 0 | 0 | 109.5 | | |
| 283 | N | 40.6 | Very low | 45 | Very low | 140 Ų | 140 | 155.4 Ų | 155.4 | 75% | 0.749 | 81% | 0.812 | S | S | * | * | | | trans | -110.6 | 136.9 | 164.2 | -169.2 | -0.1 | 0 | 0 | 0 | 105.7 | G285 | N283-G285 PolarHBondContact OD1-N 3.04Å; N283-G285 VanDerWaalsContact OD1-N 3.14Å |
| 284 | P | 46.3 | Very low | 45.6 | Very low | 126 Ų | 126 | 155.8 Ų | 155.8 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | | -141.3 | 148.7 | 95.8 | 25.6 | -4.5 | 0 | 0 | 0 | 112.8 | | |
| 285 | G | 42.1 | Very low | 46.8 | Very low | 61 Ų | 61 | 152.6 Ų | 152.6 | 63% | 0.629 | 81% | 0.807 | S | S | * | * | | | trans | -67 | 161.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | N283 | N283-G285 PolarHBondContact OD1-N 3.04Å; N283-G285 VanDerWaalsContact OD1-N 3.14Å |
| 286 | C | 44.1 | Very low | 48 | Very low | 123 Ų | 123 | 151.9 Ų | 151.9 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | | | trans | -165 | 103.8 | 153.2 | -97.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 287 | R | 48.5 | Very low | 49.3 | Very low | 223 Ų | 223 | 152.1 Ų | 152.1 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | | | trans | 42.3 | 116.8 | 132.4 | -55.9 | 176.9 | 69.1 | -170 | 1.7 | 118.4 | K289 | R287-K289 PolarHBondContact O-N 2.96Š|
| 288 | K | 56.2 | Low | 50 | Low | 210 Ų | 210 | 152.2 Ų | 152.2 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | | | trans | -21.9 | 123 | 153.4 | -69 | 171.1 | 172.2 | 172 | 0 | 113.1 | | |
| 289 | K | 58.1 | Low | 51 | Low | 183 Ų | 183 | 147.1 Ų | 147.1 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | | | trans | -120.6 | 99.6 | 163.8 | -70.4 | -85.9 | -178.3 | 164.7 | 0 | 107.8 | R287 L291 | R287-K289 PolarHBondContact O-N 2.96Å; K289-L291 PolarHBondContact O-N 2.83Å |
| 290 | L | 54.8 | Low | 52 | Low | 165 Ų | 165 | 142.4 Ų | 142.4 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | | | trans | -62.7 | 117.6 | 152.3 | -108.9 | 76.3 | 0 | 0 | 0 | 106.1 | | |
| 291 | L | 51.9 | Low | 53.6 | Low | 153 Ų | 153 | 146.1 Ų | 146.1 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | | | trans | -99.7 | 90.1 | 164.5 | -72.1 | 170.6 | 0 | 0 | 0 | 107.2 | K289 | K289-L291 PolarHBondContact O-N 2.83Š|
| 292 | R | 56.8 | Low | 54.6 | Low | 221 Ų | 221 | 147.6 Ų | 147.6 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | | | trans | -123 | 93.6 | 160.5 | -173.4 | 177.1 | -178.4 | 167.6 | 1.4 | 106.6 | | |
| 293 | N | 52.3 | Low | 55.5 | Low | 136 Ų | 136 | 144.8 Ų | 144.8 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -115.4 | 82 | 169.6 | 56 | -31.3 | 0 | 0 | 0 | 108.4 | S295 | N293-S295 PolarHBondContact O-N 3.07Š|
| 294 | S | 50.8 | Low | 56.4 | Low | 96 Ų | 96 | 144 Ų | 144 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | | | trans | -78.9 | 93.4 | 158.1 | 49.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 295 | S | 61 | Low | 57 | Low | 109 Ų | 109 | 146 Ų | 146 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | trans | -96.5 | 91.5 | 173.9 | -176.9 | 0 | 0 | 0 | 0 | 109 | N293 Q297 | N293-S295 PolarHBondContact O-N 3.07Å; S295-Q297 PolarHBondContact O-N 3.11Å |
| 296 | T | 63.5 | Low | 57.6 | Low | 125 Ų | 125 | 148.2 Ų | 148.2 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | | | trans | -80.7 | 108.4 | 169.5 | -49.2 | 0 | 0 | 0 | 0 | 108 | T298 | T296-T298 PolarHBondContact O-N 3.17Š|
| 297 | Q | 66.9 | Low | 58 | Low | 172 Ų | 172 | 148.3 Ų | 148.3 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | -85.1 | 106.3 | 176 | -175.8 | 159 | 12.6 | 0 | 0 | 109.5 | S295 | S295-Q297 PolarHBondContact O-N 3.11Š|
| 298 | T | 64.4 | Low | 58.8 | Low | 117 Ų | 117 | 144.5 Ų | 144.5 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | | | trans | -81.2 | 117.1 | 170 | 53.2 | 0 | 0 | 0 | 0 | 109 | T296 S300 | T296-T298 PolarHBondContact O-N 3.17Å; T298-S300 PolarHBondContact O-N 3.2Å |
| 299 | V | 58.8 | Low | 58.7 | Low | 123 Ų | 123 | 139.8 Ų | 139.8 | 75% | 0.745 | 77% | 0.765 | S | S | * | * | | | trans | -76.7 | 113.1 | 168.6 | -179.5 | 0 | 0 | 0 | 0 | 106.9 | D301 | V299-D301 PolarHBondContact O-N 3.47Š|
| 300 | S | 59.8 | Low | 58.6 | Low | 105 Ų | 105 | 140.4 Ų | 140.4 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | trans | -75.3 | 110.1 | 169.1 | -53.2 | 0 | 0 | 0 | 0 | 108.8 | T298 K302 | T298-S300 PolarHBondContact O-N 3.2Å; S300-K302 PolarHBondContact O-N 2.98Å |
| 301 | D | 65.9 | Low | 58.9 | Low | 152 Ų | 152 | 139.6 Ų | 139.6 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | | | trans | -62.4 | 102.9 | 167.5 | 30 | -64.4 | 0 | 0 | 0 | 109.5 | V299 S303 | V299-D301 PolarHBondContact O-N 3.47Å; D301-S303 PolarHBondContact O-N 3.44Å |
| 302 | K | 65 | Low | 59.1 | Low | 195 Ų | 195 | 136.5 Ų | 136.5 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | | | trans | -68.9 | 101.2 | 170.6 | -171.5 | -175.2 | 179.6 | -160.9 | 0 | 107.9 | S300 T304 | S300-K302 PolarHBondContact O-N 2.98Å; K302-T304 PolarHBondContact O-N 3.16Å; K302-T304 VanDerWaalsContact O-N 3.17Å |
| 303 | S | 56.8 | Low | 59.1 | Low | 105 Ų | 105 | 132.2 Ų | 132.2 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | | | trans | -50.6 | 118.3 | 171.5 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | D301 Q305 | D301-S303 PolarHBondContact O-N 3.44Å; S303-Q305 PolarHBondContact O-N 2.97Å; S303-Q305 VanDerWaalsContact O-N 3.11Å |
| 304 | T | 60.7 | Low | 59.3 | Low | 125 Ų | 125 | 135.5 Ų | 135.5 | 77% | 0.767 | 75% | 0.754 | S | S | * | * | | | trans | -77.6 | 94 | 171.4 | -55.4 | 0 | 0 | 0 | 0 | 107.3 | K302 T306 | K302-T304 PolarHBondContact O-N 3.16Å; K302-T304 VanDerWaalsContact O-N 3.17Å; T304-T306 PolarHBondContact O-N 3.33Å |
| 305 | Q | 58.1 | Low | 59.6 | Low | 166 Ų | 166 | 140.1 Ų | 140.1 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | trans | -63 | 99.2 | 172.6 | -175.5 | 174.2 | 19.2 | 0 | 0 | 109.3 | S303 V307 | S303-Q305 PolarHBondContact O-N 2.97Å; S303-Q305 VanDerWaalsContact O-N 3.11Å; Q305-V307 PolarHBondContact O-N 3.13Å; Q305-V307 VanDerWaalsContact O-N 3.16Å |
| 306 | T | 55.1 | Low | 59 | Low | 109 Ų | 109 | 144.7 Ų | 144.7 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | | | trans | -71 | 105.1 | 167.7 | 53.8 | 0 | 0 | 0 | 0 | 108.2 | T304 L308 | T304-T306 PolarHBondContact O-N 3.33Å; T306-L308 PolarHBondContact O-N 3.1Å; T306-L308 VanDerWaalsContact O-N 3.1Å |
| 307 | V | 52.3 | Low | 58.3 | Low | 125 Ų | 125 | 143.1 Ų | 143.1 | 76% | 0.758 | 77% | 0.77 | S | S | * | * | | | trans | -68.3 | 104.1 | 170.6 | 174 | 0 | 0 | 0 | 0 | 107.9 | Q305 | Q305-V307 PolarHBondContact O-N 3.13Å; Q305-V307 VanDerWaalsContact O-N 3.16Å |
| 308 | L | 65.4 | Low | 57.8 | Low | 142 Ų | 142 | 143.8 Ų | 143.8 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 135.2 | 166.3 | -66.8 | 176.1 | 0 | 0 | 0 | 108.8 | T306 Y310 | T306-L308 PolarHBondContact O-N 3.1Å; T306-L308 VanDerWaalsContact O-N 3.1Å; L308-Y310 PolarHBondContact O-N 3.33Å |
| 309 | P | 54.8 | Low | 57.3 | Low | 112 Ų | 112 | 145.6 Ų | 145.6 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 123 | 178.5 | 24.2 | -30.9 | 0 | 0 | 0 | 110.5 | I311 | P309-I311 PolarHBondContact O-N 3.25Š|
| 310 | Y | 56.4 | Low | 56.9 | Low | 196 Ų | 196 | 151.3 Ų | 151.3 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -64 | 118.9 | 174 | 177.6 | -101.9 | 0 | 0 | 0 | 110.2 | L308 P312 | L308-Y310 PolarHBondContact O-N 3.33Å; Y310-P312 HydrophobicContact CD1-CG 4.08Å; Y310-P312 HydrophobicContact CE1-CB 3.99Å; Y310-P312 HydrophobicContact CE1-CG 3.98Å; Y310-P312 WeakPolarHBondContact O-CD 3.47Å |
| 311 | I | 59.8 | Low | 56.8 | Low | 148 Ų | 148 | 153.6 Ų | 153.6 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | | | trans | -93.3 | 113.6 | 170.7 | -57.4 | -179.8 | 0 | 0 | 0 | 107.6 | P309 T313 | P309-I311 PolarHBondContact O-N 3.25Å; I311-T313 PolarHBondContact O-N 3.48Å |
| 312 | P | 57.6 | Low | 56.3 | Low | 87 Ų | 87 | 153.7 Ų | 153.7 | 57% | 0.565 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 130.1 | 177.1 | -10.7 | 25.6 | 0 | 0 | 0 | 110.6 | Y310 K314 | Y310-P312 HydrophobicContact CD1-CG 4.08Å; Y310-P312 HydrophobicContact CE1-CB 3.99Å; Y310-P312 HydrophobicContact CE1-CG 3.98Å; Y310-P312 WeakPolarHBondContact O-CD 3.47Å; P312-K314 PolarHBondContact O-N 3.38Å |
| 313 | T | 55.6 | Low | 55.8 | Low | 132 Ų | 132 | 151.4 Ų | 151.4 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 120.8 | 169.1 | 49.3 | 0 | 0 | 0 | 0 | 110 | I311 Q315 | I311-T313 PolarHBondContact O-N 3.48Å; T313-Q315 PolarHBondContact O-N 3.34Å |
| 314 | K | 56.9 | Low | 55.7 | Low | 204 Ų | 204 | 154.1 Ų | 154.1 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 125.7 | 175.8 | -68.6 | -98.6 | -179.2 | 173.2 | 0 | 110.5 | P312 K316 | P312-K314 PolarHBondContact O-N 3.38Å; K314-K316 PolarHBondContact O-N 3.47Å |
| 315 | Q | 56.5 | Low | 55.4 | Low | 193 Ų | 193 | 155.9 Ų | 155.9 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 131.2 | 168.6 | -86.1 | 172.7 | -59.1 | 0 | 0 | 110.4 | T313 A317 | T313-Q315 PolarHBondContact O-N 3.34Å; Q315-A317 PolarHBondContact O-N 3.4Å |
| 316 | K | 49.7 | Very low | 55.2 | Low | 206 Ų | 206 | 155.3 Ų | 155.3 | 90% | 0.896 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 121.7 | 165.3 | -80.3 | -127.8 | 174.9 | -174.8 | 0 | 109.1 | K314 | K314-K316 PolarHBondContact O-N 3.47Š|
| 317 | A | 48.9 | Very low | 55.2 | Low | 91 Ų | 91 | 158.6 Ų | 158.6 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 135.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q315 | Q315-A317 PolarHBondContact O-N 3.4Š|
| 318 | K | 56.2 | Low | 55.5 | Low | 186 Ų | 186 | 161.2 Ų | 161.2 | 81% | 0.809 | 81% | 0.813 | S | S | * | * | | | trans | -93.8 | 103.9 | 171.7 | -176.9 | 168.6 | -178.6 | 174.8 | 0 | 106.2 | | |
| 319 | D | 52.2 | Low | 54.6 | Low | 156 Ų | 156 | 162.8 Ų | 162.8 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | | | trans | -65.7 | 138.4 | 168.9 | -75.5 | -61.5 | 0 | 0 | 0 | 109.4 | | |
| 320 | H | 51.3 | Low | 54.6 | Low | 242 Ų | 242 | 167.4 Ų | 167.4 | 100% | 1.12 | 83% | 0.827 | S | S | * | * | | | trans | -123.9 | 0 | 173.5 | -126.2 | -56 | 0 | 0 | 0 | 108.6 | | |