| 1 | M | 38.9 | Very low | 53.3 | Low | 249 Ų | 249 | 139.7 Ų | 139.7 | 100% | 1.227 | 75% | 0.751 | S | S | * | * | | | | 0 | 147.7 | 0 | -75.9 | 167.5 | 162.9 | 0 | 0 | 108.1 | A3 | M1-A3 PolarHBondContact O-N 3.17Š|
| 2 | S | 44.8 | Very low | 54.4 | Low | 125 Ų | 125 | 140.3 Ų | 140.3 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | | | trans | -80 | 112.6 | -168 | -51.5 | 0 | 0 | 0 | 0 | 112.3 | S4 | S2-S4 PolarHBondContact O-N 3.1Š|
| 3 | A | 47.6 | Very low | 55.4 | Low | 97 Ų | 97 | 134.5 Ų | 134.5 | 80% | 0.802 | 71% | 0.712 | S | S | * | * | | | trans | -65.3 | 124.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | M1 K5 | M1-A3 PolarHBondContact O-N 3.17Å; A3-K5 PolarHBondContact O-N 3.35Å |
| 4 | S | 53 | Low | 56.5 | Low | 104 Ų | 104 | 132.4 Ų | 132.4 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | | | trans | -68.3 | 94.7 | -178.7 | 39.2 | 0 | 0 | 0 | 0 | 110.3 | S2 I6 | S2-S4 PolarHBondContact O-N 3.1Å; S4-I6 PolarHBondContact O-N 3.45Å |
| 5 | K | 53.8 | Low | 57.6 | Low | 208 Ų | 208 | 129.6 Ų | 129.6 | 90% | 0.904 | 68% | 0.684 | S | S | * | * | | | trans | -71.9 | 74.2 | 176.3 | -161.8 | 168.5 | -172.1 | 173.4 | 0 | 110.1 | A3 | A3-K5 PolarHBondContact O-N 3.35Š|
| 6 | I | 58 | Low | 58.7 | Low | 124 Ų | 124 | 128.4 Ų | 128.4 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | | | trans | -53.1 | 121.7 | 173 | -62.6 | 171.2 | 0 | 0 | 0 | 106.9 | S4 L8 | S4-I6 PolarHBondContact O-N 3.45Å; I6-L8 PolarHBondContact O-N 3.29Å; I6-L8 VanDerWaalsContact O-N 3.14Å |
| 7 | P | 55.8 | Low | 59.5 | Low | 79 Ų | 79 | 126.9 Ų | 126.9 | 51% | 0.513 | 67% | 0.669 | S | S | . | * | | | trans | -66.4 | 119.3 | -178.5 | 25.6 | -32.7 | 0 | 0 | 0 | 108.9 | F9 K10 | P7-F9 PolarHBondContact O-N 2.9Å; P7-K10 HydrophobicContact CG-CG 4.35Å; P7-K10 PolarHBondContact O-N 2.94Å |
| 8 | L | 56.3 | Low | 60.2 | Low | 130 Ų | 130 | 125.3 Ų | 125.3 | 68% | 0.681 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -50.5 | -25.7 | -178.4 | -90.4 | 162.3 | 0 | 0 | 0 | 113.9 | I6 K10 M11 K12 | I6-L8 PolarHBondContact O-N 3.29Å; I6-L8 VanDerWaalsContact O-N 3.14Å; L8-K10 PolarHBondContact O-N 3.43Å; L8-M11 PolarHBondContact O-N 3.1Å; L8-M11 VanDerWaalsContact O-N 3.14Å; L8-K12 PolarHBondContact O-N 3.24Å; L8-K12 VanDerWaalsContact O-N 3.12Å |
| 9 | F | 53.6 | Low | 60.5 | Low | 158 Ų | 158 | 121.9 Ų | 121.9 | 69% | 0.693 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -50.9 | -52.7 | 170.3 | -144.3 | -81.3 | 0 | 0 | 0 | 112 | P7 M11 K12 D13 | P7-F9 PolarHBondContact O-N 2.9Å; F9-M11 PolarHBondContact O-N 3.25Å; F9-K12 PolarHBondContact O-N 2.82Å; F9-K12 VanDerWaalsContact O-N 3.15Å; F9-D13 WeakPolarHBondContact CD1-OD2 3.38Å; F9-D13 VanDerWaalsContact O-CG 3.25Å; F9-D13 PolarHBondContact O-N 3.49Å |
| 10 | K | 58.7 | Low | 61 | Low | 148 Ų | 148 | 121.8 Ų | 121.8 | 64% | 0.643 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -64.3 | -24.8 | 178.7 | -79.3 | -147.5 | 171.1 | -162.8 | 0 | 113.9 | P7 L8 L14 | P7-K10 HydrophobicContact CG-CG 4.35Å; P7-K10 PolarHBondContact O-N 2.94Å; L8-K10 PolarHBondContact O-N 3.43Å; K10-L14 WeakPolarHBondContact O-CB 3.32Å; K10-L14 PolarHBondContact O-N 3.19Å |
| 11 | M | 65.8 | Low | 61.3 | Low | 115 Ų | 115 | 120.7 Ų | 120.7 | 57% | 0.567 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -76.5 | -38.5 | 177.2 | -158.4 | 168.1 | -171.5 | 0 | 0 | 110.9 | L8 F9 L14 I15 | L8-M11 PolarHBondContact O-N 3.1Å; L8-M11 VanDerWaalsContact O-N 3.14Å; F9-M11 PolarHBondContact O-N 3.25Å; M11-L14 PolarHBondContact O-N 3.36Å; M11-I15 HydrophobicContact CG-CD1 4.42Å; M11-I15 WeakPolarHBondContact O-CD1 3.38Å; M11-I15 VanDerWaalsContact O-CG1 3.25Å; M11-I15 WeakPolarHBondContact O-CG1 3.4Å; M11-I15 PolarHBondContact O-N 2.91Å |
| 12 | K | 67.1 | Low | 62.2 | Low | 147 Ų | 147 | 115.5 Ų | 115.5 | 64% | 0.639 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.1 | -44.2 | 171.2 | -68.4 | -174.4 | 176 | -173.7 | 0 | 111.8 | L8 F9 L14 I15 L16 | L8-K12 PolarHBondContact O-N 3.24Å; L8-K12 VanDerWaalsContact O-N 3.12Å; F9-K12 PolarHBondContact O-N 2.82Å; F9-K12 VanDerWaalsContact O-N 3.15Å; K12-L14 VanDerWaalsContact C-N 3.33Å; K12-L14 PolarHBondContact O-N 3.11Å; K12-I15 PolarHBondContact O-N 3.36Å; K12-L16 WeakPolarHBondContact O-CG 3.38Å; K12-L16 PolarHBondContact O-N 3.26Å |
| 13 | D | 67 | Low | 62.8 | Low | 65 Ų | 65 | 116 Ų | 116 | 35% | 0.348 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -59 | -44.6 | 175.2 | -60.1 | -28.8 | 0 | 0 | 0 | 111.4 | F9 L16 I17 | F9-D13 WeakPolarHBondContact CD1-OD2 3.38Å; F9-D13 VanDerWaalsContact O-CG 3.25Å; F9-D13 PolarHBondContact O-N 3.49Å; D13-L16 PolarHBondContact O-N 2.95Å; D13-I17 WeakPolarHBondContact O-CB 3.47Å; D13-I17 WeakPolarHBondContact O-CD1 3.37Å; D13-I17 VanDerWaalsContact O-CG1 3.23Å; D13-I17 WeakPolarHBondContact O-CG1 3.15Å; D13-I17 PolarHBondContact O-N 3.45Å |
| 14 | L | 70.6 | Confident | 63 | Low | 104 Ų | 104 | 115.4 Ų | 115.4 | 55% | 0.545 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.1 | -35.5 | -179.2 | -168.3 | 148.9 | 0 | 0 | 0 | 112.4 | K10 M11 K12 I17 L18 | K10-L14 WeakPolarHBondContact O-CB 3.32Å; K10-L14 PolarHBondContact O-N 3.19Å; M11-L14 PolarHBondContact O-N 3.36Å; K12-L14 VanDerWaalsContact C-N 3.33Å; K12-L14 PolarHBondContact O-N 3.11Å; L14-I17 PolarHBondContact O-N 3.27Å; L14-L18 HydrophobicContact CD2-CD1 4.05Å; L14-L18 PolarHBondContact O-N 3.34Å |
| 15 | I | 72.9 | Confident | 63 | Low | 91 Ų | 91 | 118.6 Ų | 118.6 | 47% | 0.467 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.9 | -45.2 | 171.7 | -70.1 | 163.3 | 0 | 0 | 0 | 110.7 | M11 K12 I17 L18 C19 | M11-I15 HydrophobicContact CG-CD1 4.42Å; M11-I15 WeakPolarHBondContact O-CD1 3.38Å; M11-I15 VanDerWaalsContact O-CG1 3.25Å; M11-I15 WeakPolarHBondContact O-CG1 3.4Å; M11-I15 PolarHBondContact O-N 2.91Å; K12-I15 PolarHBondContact O-N 3.36Å; I15-I17 VanDerWaalsContact C-N 3.31Å; I15-I17 PolarHBondContact O-N 3.32Å; I15-L18 PolarHBondContact O-N 2.96Å; I15-L18 VanDerWaalsContact O-N 3.17Å; I15-C19 PolarHBondContact O-N 3.09Å; I15-C19 PolarHBondContact O-SG 2.89Å; I15-C19 VanDerWaalsContact O-SG 3.39Å |
| 16 | L | 74.6 | Confident | 62.8 | Low | 110 Ų | 110 | 112.1 Ų | 112.1 | 58% | 0.576 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -60.9 | -40.6 | 175.6 | -75.6 | 167.6 | 0 | 0 | 0 | 111.9 | K12 D13 L20 | K12-L16 WeakPolarHBondContact O-CG 3.38Å; K12-L16 PolarHBondContact O-N 3.26Å; D13-L16 PolarHBondContact O-N 2.95Å; L16-L20 VanDerWaalsContact O-CB 3.32Å; L16-L20 WeakPolarHBondContact O-CB 3.36Å; L16-L20 WeakPolarHBondContact O-CD1 3.32Å; L16-L20 VanDerWaalsContact O-CG 3.27Å; L16-L20 WeakPolarHBondContact O-CG 3.31Å; L16-L20 PolarHBondContact O-N 3.34Å |
| 17 | I | 73.1 | Confident | 62 | Low | 103 Ų | 103 | 111 Ų | 111 | 53% | 0.528 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.2 | -44 | 173.6 | -70.8 | 163.6 | 0 | 0 | 0 | 110.9 | D13 L14 I15 L20 L21 | D13-I17 WeakPolarHBondContact O-CB 3.47Å; D13-I17 WeakPolarHBondContact O-CD1 3.37Å; D13-I17 VanDerWaalsContact O-CG1 3.23Å; D13-I17 WeakPolarHBondContact O-CG1 3.15Å; D13-I17 PolarHBondContact O-N 3.45Å; L14-I17 PolarHBondContact O-N 3.27Å; I15-I17 VanDerWaalsContact C-N 3.31Å; I15-I17 PolarHBondContact O-N 3.32Å; I17-L20 PolarHBondContact O-N 2.78Å; I17-L21 WeakPolarHBondContact O-CB 3.26Å; I17-L21 PolarHBondContact O-N 3.42Å |
| 18 | L | 71.4 | Confident | 61.3 | Low | 99 Ų | 99 | 111.5 Ų | 111.5 | 52% | 0.518 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62 | -48.6 | 176.7 | -110.3 | 66.8 | 0 | 0 | 0 | 112 | L14 I15 L20 L21 E22 | L14-L18 HydrophobicContact CD2-CD1 4.05Å; L14-L18 PolarHBondContact O-N 3.34Å; I15-L18 PolarHBondContact O-N 2.96Å; I15-L18 VanDerWaalsContact O-N 3.17Å; L18-L20 VanDerWaalsContact C-N 3.33Å; L18-L20 PolarHBondContact O-N 2.94Å; L18-L21 WeakPolarHBondContact O-CB 3.35Å; L18-L21 PolarHBondContact O-N 3.46Å; L18-L21 VanDerWaalsContact O-N 3.11Å; L18-E22 WeakPolarHBondContact O-CB 3.32Å; L18-E22 PolarHBondContact O-N 3.15Å |
| 19 | C | 67 | Low | 60.6 | Low | 61 Ų | 61 | 114.1 Ų | 114.1 | 41% | 0.412 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.1 | -36.7 | 178.3 | -65.3 | 0 | 0 | 0 | 0 | 112.2 | I15 M23 | I15-C19 PolarHBondContact O-N 3.09Å; I15-C19 PolarHBondContact O-SG 2.89Å; I15-C19 VanDerWaalsContact O-SG 3.39Å; C19-M23 VanDerWaalsContact O-CB 3.26Å; C19-M23 WeakPolarHBondContact O-CB 3.44Å; C19-M23 WeakPolarHBondContact O-CG 3.23Å; C19-M23 PolarHBondContact O-N 3.12Å |
| 20 | L | 70.3 | Confident | 60.1 | Low | 118 Ų | 118 | 114.6 Ų | 114.6 | 62% | 0.618 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.7 | -37.3 | 172.2 | -77.7 | 166.3 | 0 | 0 | 0 | 112.1 | L16 I17 L18 S24 | L16-L20 VanDerWaalsContact O-CB 3.32Å; L16-L20 WeakPolarHBondContact O-CB 3.36Å; L16-L20 WeakPolarHBondContact O-CD1 3.32Å; L16-L20 VanDerWaalsContact O-CG 3.27Å; L16-L20 WeakPolarHBondContact O-CG 3.31Å; L16-L20 PolarHBondContact O-N 3.34Å; I17-L20 PolarHBondContact O-N 2.78Å; L18-L20 VanDerWaalsContact C-N 3.33Å; L18-L20 PolarHBondContact O-N 2.94Å; L20-S24 WeakPolarHBondContact O-CB 3.36Å; L20-S24 PolarHBondContact O-N 3.11Å; L20-S24 PolarHBondContact O-OG 3.47Å |
| 21 | L | 66.6 | Low | 59.2 | Low | 99 Ų | 99 | 112 Ų | 112 | 52% | 0.518 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -69.1 | -45.8 | 176.7 | -148 | 77.4 | 0 | 0 | 0 | 111.4 | I17 L18 S24 F25 | I17-L21 WeakPolarHBondContact O-CB 3.26Å; I17-L21 PolarHBondContact O-N 3.42Å; L18-L21 WeakPolarHBondContact O-CB 3.35Å; L18-L21 PolarHBondContact O-N 3.46Å; L18-L21 VanDerWaalsContact O-N 3.11Å; L21-S24 CarbonylContact O-C 3.59Å; L21-S24 WeakPolarHBondContact O-CA 3.43Å; L21-S24 WeakPolarHBondContact O-CB 3.25Å; L21-S24 PolarHBondContact O-N 3.5Å; L21-F25 HydrophobicContact CD2-CE2 4.27Å; L21-F25 HydrophobicContact CG-CE2 4.07Å; L21-F25 WeakPolarHBondContact O-CD2 3.45Å; L21-F25 PolarHBondContact O-N 3.34Å |
| 22 | E | 58.6 | Low | 57.9 | Low | 141 Ų | 141 | 115.6 Ų | 115.6 | 66% | 0.659 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63 | -45.2 | 178.2 | -172.7 | 169.4 | -151.6 | 0 | 0 | 111.3 | L18 S24 F25 A26 | L18-E22 WeakPolarHBondContact O-CB 3.32Å; L18-E22 PolarHBondContact O-N 3.15Å; E22-S24 VanDerWaalsContact C-N 3.25Å; E22-S24 PolarHBondContact O-N 2.9Å; E22-F25 PolarHBondContact O-N 3.37Å; E22-F25 VanDerWaalsContact O-N 3.11Å; E22-A26 PolarHBondContact O-N 3.29Å |
| 23 | M | 56.4 | Low | 56.6 | Low | 135 Ų | 135 | 117 Ų | 117 | 67% | 0.665 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.1 | -28.9 | 171.5 | -69.2 | -69.2 | -75.1 | 0 | 0 | 112.7 | C19 A26 V27 | C19-M23 VanDerWaalsContact O-CB 3.26Å; C19-M23 WeakPolarHBondContact O-CB 3.44Å; C19-M23 WeakPolarHBondContact O-CG 3.23Å; C19-M23 PolarHBondContact O-N 3.12Å; M23-A26 PolarHBondContact O-N 2.92Å; M23-V27 PolarHBondContact O-N 2.86Å |
| 24 | S | 52.7 | Low | 55.3 | Low | 84 Ų | 84 | 120.2 Ų | 120.2 | 59% | 0.587 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -72.4 | -28.4 | 173.3 | -60.2 | 0 | 0 | 0 | 0 | 112.9 | L20 L21 E22 | L20-S24 WeakPolarHBondContact O-CB 3.36Å; L20-S24 PolarHBondContact O-N 3.11Å; L20-S24 PolarHBondContact O-OG 3.47Å; L21-S24 CarbonylContact O-C 3.59Å; L21-S24 WeakPolarHBondContact O-CA 3.43Å; L21-S24 WeakPolarHBondContact O-CB 3.25Å; L21-S24 PolarHBondContact O-N 3.5Å; E22-S24 VanDerWaalsContact C-N 3.25Å; E22-S24 PolarHBondContact O-N 2.9Å |
| 25 | F | 51.9 | Low | 53.9 | Low | 172 Ų | 172 | 118.4 Ų | 118.4 | 75% | 0.754 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -79 | -21 | 169.6 | -75.2 | -69.9 | 0 | 0 | 0 | 113.1 | L21 E22 | L21-F25 HydrophobicContact CD2-CE2 4.27Å; L21-F25 HydrophobicContact CG-CE2 4.07Å; L21-F25 WeakPolarHBondContact O-CD2 3.45Å; L21-F25 PolarHBondContact O-N 3.34Å; E22-F25 PolarHBondContact O-N 3.37Å; E22-F25 VanDerWaalsContact O-N 3.11Å |
| 26 | A | 50.5 | Low | 52.4 | Low | 72 Ų | 72 | 120.3 Ų | 120.3 | 60% | 0.595 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -82.2 | -9.3 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | E22 M23 P28 | E22-A26 PolarHBondContact O-N 3.29Å; M23-A26 PolarHBondContact O-N 2.92Å; A26-P28 WeakPolarHBondContact O-CD 3.38Å |
| 27 | V | 41.7 | Very low | 51.1 | Low | 100 Ų | 100 | 121.2 Ų | 121.2 | 61% | 0.606 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -79.4 | 118.1 | 169.8 | 177.2 | 0 | 0 | 0 | 0 | 109 | M23 F29 | M23-V27 PolarHBondContact O-N 2.86Å; V27-F29 PolarHBondContact O-N 3.1Å |
| 28 | P | 41.1 | Very low | 50 | Low | 90 Ų | 90 | 119.6 Ų | 119.6 | 58% | 0.584 | 68% | 0.677 | S | S | * | * | | | trans | -66.3 | 107.8 | 171.5 | 27.4 | -33 | 0 | 0 | 0 | 109 | A26 F30 | A26-P28 WeakPolarHBondContact O-CD 3.38Å; P28-F30 HydrophobicContact CB-CD2 4.12Å; P28-F30 HydrophobicContact CB-CE2 3.91Å; P28-F30 HydrophobicContact CG-CD2 4.13Å; P28-F30 HydrophobicContact CG-CE2 3.74Å; P28-F30 WeakPolarHBondContact O-CD2 3.28Å; P28-F30 PolarHBondContact O-N 3.03Å |
| 29 | F | 40.7 | Very low | 48.6 | Very low | 185 Ų | 185 | 123 Ų | 123 | 81% | 0.811 | 69% | 0.693 | S | S | * | * | | | trans | -68.7 | 81.3 | 167.8 | -169.7 | -89.6 | 0 | 0 | 0 | 108.6 | V27 P31 | V27-F29 PolarHBondContact O-N 3.1Å; F29-P31 VanDerWaalsContact O-CD 3.23Å; F29-P31 WeakPolarHBondContact O-CD 3.19Å |
| 30 | F | 43.3 | Very low | 47.6 | Very low | 168 Ų | 168 | 124.2 Ų | 124.2 | 74% | 0.737 | 71% | 0.707 | S | S | * | * | | | trans | -59.5 | 115.8 | 163.3 | -76 | -83.6 | 0 | 0 | 0 | 107.1 | P28 Q32 | P28-F30 HydrophobicContact CB-CD2 4.12Å; P28-F30 HydrophobicContact CB-CE2 3.91Å; P28-F30 HydrophobicContact CG-CD2 4.13Å; P28-F30 HydrophobicContact CG-CE2 3.74Å; P28-F30 WeakPolarHBondContact O-CD2 3.28Å; P28-F30 PolarHBondContact O-N 3.03Å; F30-Q32 PolarHBondContact O-N 2.83Å |
| 31 | P | 39.3 | Very low | 46.4 | Very low | 92 Ų | 92 | 124.4 Ų | 124.4 | 60% | 0.597 | 72% | 0.719 | S | S | * | * | | | trans | -62 | 118.1 | 168.6 | 27.2 | -32 | 0 | 0 | 0 | 106.8 | F29 Q33 | F29-P31 VanDerWaalsContact O-CD 3.23Å; F29-P31 WeakPolarHBondContact O-CD 3.19Å; P31-Q33 PolarHBondContact O-N 3.42Å |
| 32 | Q | 39.8 | Very low | 45.6 | Very low | 191 Ų | 191 | 125.6 Ų | 125.6 | 89% | 0.893 | 73% | 0.725 | S | S | * | * | | | trans | -62.3 | 93.7 | 162.5 | -79.2 | -174.5 | -26.2 | 0 | 0 | 106.9 | F30 T34 | F30-Q32 PolarHBondContact O-N 2.83Å; Q32-T34 VanDerWaalsContact C-N 3.34Å; Q32-T34 PolarHBondContact O-N 3.46Å |
| 33 | Q | 38.6 | Very low | 45.2 | Very low | 177 Ų | 177 | 122.2 Ų | 122.2 | 83% | 0.827 | 72% | 0.717 | S | S | * | * | | | trans | -63 | 102.8 | 163.9 | -74.1 | -170.1 | -27 | 0 | 0 | 106.5 | P31 G35 | P31-Q33 PolarHBondContact O-N 3.42Å; Q33-G35 PolarHBondContact O-N 2.8Å |
| 34 | T | 40.4 | Very low | 45.2 | Very low | 132 Ų | 132 | 122.5 Ų | 122.5 | 81% | 0.81 | 72% | 0.72 | S | S | * | * | | | trans | -51 | 105.4 | 168.1 | -53.2 | 0 | 0 | 0 | 0 | 107.4 | Q32 T36 | Q32-T34 VanDerWaalsContact C-N 3.34Å; Q32-T34 PolarHBondContact O-N 3.46Å; T34-T36 PolarHBondContact O-N 2.76Å |
| 35 | G | 40.7 | Very low | 45.4 | Very low | 66 Ų | 66 | 122.8 Ų | 122.8 | 68% | 0.68 | 71% | 0.712 | S | S | * | * | | | trans | -61.9 | 107.3 | -166.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q33 P37 | Q33-G35 PolarHBondContact O-N 2.8Å; G35-P37 VanDerWaalsContact O-CD 3.28Å; G35-P37 WeakPolarHBondContact O-CD 3.41Å |
| 36 | T | 41.3 | Very low | 45.6 | Very low | 131 Ų | 131 | 118.1 Ų | 118.1 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | | | trans | -69.3 | 112.9 | 169.1 | 33.8 | 0 | 0 | 0 | 0 | 108.2 | T34 G38 | T34-T36 PolarHBondContact O-N 2.76Å; T36-G38 PolarHBondContact O-N 3.31Å; T36-G38 VanDerWaalsContact O-N 3.17Å |
| 37 | P | 46.9 | Very low | 45.7 | Very low | 129 Ų | 129 | 120.5 Ų | 120.5 | 84% | 0.838 | 70% | 0.698 | S | S | * | * | | | trans | -75.8 | 112.3 | -171.8 | 29.7 | -33.2 | 0 | 0 | 0 | 110.4 | G35 | G35-P37 VanDerWaalsContact O-CD 3.28Å; G35-P37 WeakPolarHBondContact O-CD 3.41Å |
| 38 | G | 50.9 | Low | 46.5 | Very low | 69 Ų | 69 | 124.7 Ų | 124.7 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | | | trans | 77.2 | 90.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | T36 | T36-G38 PolarHBondContact O-N 3.31Å; T36-G38 VanDerWaalsContact O-N 3.17Å |
| 39 | M | 42.4 | Very low | 46.8 | Very low | 171 Ų | 171 | 126.6 Ų | 126.6 | 84% | 0.842 | 70% | 0.704 | S | S | * | * | | | trans | -111.7 | 109.7 | 144.7 | -77.2 | -64.4 | -70.2 | 0 | 0 | 107.5 | | |
| 40 | A | 45.3 | Very low | 47.4 | Very low | 86 Ų | 86 | 124.1 Ų | 124.1 | 71% | 0.711 | 70% | 0.699 | S | S | * | * | | | trans | -70.8 | 164.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L42 | A40-L42 PolarHBondContact O-N 3.4Š|
| 41 | S | 44.8 | Very low | 48 | Very low | 123 Ų | 123 | 119.4 Ų | 119.4 | 86% | 0.86 | 70% | 0.697 | S | S | * | * | | | trans | -58.1 | 100.9 | 174 | 52.1 | 0 | 0 | 0 | 0 | 111.7 | S43 | S41-S43 PolarHBondContact O-N 3.24Š|
| 42 | L | 50 | Low | 48.6 | Very low | 123 Ų | 123 | 119.4 Ų | 119.4 | 64% | 0.644 | 70% | 0.7 | S | S | * | * | | | trans | -69.1 | 123.4 | 166.2 | -74 | 170.6 | 0 | 0 | 0 | 108.8 | A40 T46 | A40-L42 PolarHBondContact O-N 3.4Å; L42-T46 HydrophobicContact CD2-CG2 4.41Å |
| 43 | S | 50.5 | Low | 49 | Very low | 71 Ų | 71 | 116.3 Ų | 116.3 | 50% | 0.497 | 69% | 0.689 | S | S | . | * | | | trans | -63.4 | 145.6 | 177.6 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | S41 E45 T46 M47 | S41-S43 PolarHBondContact O-N 3.24Å; S43-E45 PolarHBondContact O-N 3.47Å; S43-E45 VanDerWaalsContact O-N 3.14Å; S43-E45 PolarHBondContact OG-N 3.25Å; S43-T46 WeakPolarHBondContact O-CB 3.49Å; S43-T46 PolarHBondContact O-N 3.28Å; S43-M47 PolarHBondContact O-N 3.31Å |
| 44 | L | 56.8 | Low | 49.8 | Very low | 140 Ų | 140 | 117.5 Ų | 117.5 | 73% | 0.733 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -54.1 | -31 | 171.6 | -94.4 | 162.8 | 0 | 0 | 0 | 112.1 | T46 M47 R48 | L44-T46 VanDerWaalsContact C-N 3.33Å; L44-T46 PolarHBondContact O-N 2.79Å; L44-M47 HydrophobicContact CD2-CE 4.01Å; L44-M47 PolarHBondContact O-N 3.11Å; L44-R48 PolarHBondContact O-N 3.06Å; L44-R48 VanDerWaalsContact O-N 3.11Å |
| 45 | E | 56.2 | Low | 50.4 | Low | 91 Ų | 91 | 114.2 Ų | 114.2 | 43% | 0.425 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -66.7 | -33.3 | 176.9 | -166.3 | 54.3 | -150.3 | 0 | 0 | 112.4 | S43 R48 Q49 | S43-E45 PolarHBondContact O-N 3.47Å; S43-E45 VanDerWaalsContact O-N 3.14Å; S43-E45 PolarHBondContact OG-N 3.25Å; E45-R48 VanDerWaalsContact O-CB 3.31Å; E45-R48 WeakPolarHBondContact O-CB 3.27Å; E45-R48 PolarHBondContact O-N 3.45Å; E45-R48 IonicContact OE2-NH1 2.8Å; E45-Q49 PolarHBondContact O-N 3.33Å |
| 46 | T | 56.9 | Low | 50.6 | Low | 74 Ų | 74 | 117.6 Ų | 117.6 | 45% | 0.454 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -67.5 | -37.7 | 176.1 | -47.2 | 0 | 0 | 0 | 0 | 111.8 | L42 S43 L44 R48 L50 | L42-T46 HydrophobicContact CD2-CG2 4.41Å; S43-T46 WeakPolarHBondContact O-CB 3.49Å; S43-T46 PolarHBondContact O-N 3.28Å; L44-T46 VanDerWaalsContact C-N 3.33Å; L44-T46 PolarHBondContact O-N 2.79Å; T46-R48 VanDerWaalsContact C-N 3.33Å; T46-L50 PolarHBondContact O-N 3.39Å |
| 47 | M | 52.9 | Low | 50.7 | Low | 121 Ų | 121 | 118.5 Ų | 118.5 | 60% | 0.596 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -67.4 | -34.8 | 171.5 | -79.4 | -167.5 | -74.9 | 0 | 0 | 112.1 | S43 L44 L50 G51 | S43-M47 PolarHBondContact O-N 3.31Å; L44-M47 HydrophobicContact CD2-CE 4.01Å; L44-M47 PolarHBondContact O-N 3.11Å; M47-L50 PolarHBondContact O-N 3.5Å; M47-G51 PolarHBondContact O-N 3.28Å; M47-G51 VanDerWaalsContact O-N 3.09Å |
| 48 | R | 56.9 | Low | 50.6 | Low | 189 Ų | 189 | 118 Ų | 118 | 71% | 0.713 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -62.1 | -45.5 | 176.2 | -126.5 | 179.4 | -166.4 | 165.3 | 3.3 | 112.3 | L44 E45 T46 L50 G51 S52 | L44-R48 PolarHBondContact O-N 3.06Å; L44-R48 VanDerWaalsContact O-N 3.11Å; E45-R48 VanDerWaalsContact O-CB 3.31Å; E45-R48 WeakPolarHBondContact O-CB 3.27Å; E45-R48 PolarHBondContact O-N 3.45Å; E45-R48 IonicContact OE2-NH1 2.8Å; T46-R48 VanDerWaalsContact C-N 3.33Å; R48-L50 VanDerWaalsContact C-N 3.35Å; R48-L50 PolarHBondContact O-N 2.96Å; R48-G51 PolarHBondContact O-N 2.8Å; R48-S52 PolarHBondContact O-N 3.44Å |
| 49 | Q | 49.1 | Very low | 50.3 | Low | 130 Ų | 130 | 121.6 Ų | 121.6 | 61% | 0.607 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -65.9 | -36.4 | 177.5 | -68.1 | -176.4 | 9.6 | 0 | 0 | 112.2 | E45 G51 S52 | E45-Q49 PolarHBondContact O-N 3.33Å; Q49-G51 VanDerWaalsContact C-N 3.31Å; Q49-G51 PolarHBondContact O-N 3.17Å; Q49-S52 VanDerWaalsContact O-CB 3.32Å; Q49-S52 WeakPolarHBondContact O-CB 3.32Å; Q49-S52 PolarHBondContact O-N 2.86Å |
| 50 | L | 53.3 | Low | 50.1 | Low | 132 Ų | 132 | 118.3 Ų | 118.3 | 69% | 0.691 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -65.8 | -34 | 175.2 | -156.5 | 72.4 | 0 | 0 | 0 | 112.3 | T46 M47 R48 S52 | T46-L50 PolarHBondContact O-N 3.39Å; M47-L50 PolarHBondContact O-N 3.5Å; R48-L50 VanDerWaalsContact C-N 3.35Å; R48-L50 PolarHBondContact O-N 2.96Å; L50-S52 PolarHBondContact O-N 2.95Å |
| 51 | G | 55.7 | Low | 50 | Low | 69 Ų | 69 | 122.7 Ų | 122.7 | 71% | 0.711 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -70.4 | -13.9 | 171 | 0 | 0 | 0 | 0 | 0 | 114.9 | M47 R48 Q49 | M47-G51 PolarHBondContact O-N 3.28Å; M47-G51 VanDerWaalsContact O-N 3.09Å; R48-G51 PolarHBondContact O-N 2.8Å; Q49-G51 VanDerWaalsContact C-N 3.31Å; Q49-G51 PolarHBondContact O-N 3.17Å |
| 52 | S | 51.1 | Low | 49.8 | Very low | 92 Ų | 92 | 127.6 Ų | 127.6 | 64% | 0.643 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -7.3 | 179.6 | -165.6 | 0 | 0 | 0 | 0 | 113.8 | R48 Q49 L50 Q54 | R48-S52 PolarHBondContact O-N 3.44Å; Q49-S52 VanDerWaalsContact O-CB 3.32Å; Q49-S52 WeakPolarHBondContact O-CB 3.32Å; Q49-S52 PolarHBondContact O-N 2.86Å; L50-S52 PolarHBondContact O-N 2.95Å; S52-Q54 VanDerWaalsContact C-N 3.29Å; S52-Q54 PolarHBondContact O-N 3.02Å |
| 53 | L | 49 | Very low | 49.1 | Very low | 127 Ų | 127 | 126.8 Ų | 126.8 | 67% | 0.665 | 69% | 0.69 | S | S | * | * | | | trans | -78.1 | 78.8 | 176.3 | -76.7 | 168.9 | 0 | 0 | 0 | 111 | G55 | L53-G55 PolarHBondContact O-N 2.97Š|
| 54 | Q | 54.2 | Low | 48.8 | Very low | 202 Ų | 202 | 135.3 Ų | 135.3 | 94% | 0.944 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 64.3 | 179.8 | -167.3 | 173.2 | 0.9 | 0 | 0 | 112.4 | S52 | S52-Q54 VanDerWaalsContact C-N 3.29Å; S52-Q54 PolarHBondContact O-N 3.02Å |
| 55 | G | 53.4 | Low | 48 | Very low | 62 Ų | 62 | 137.6 Ų | 137.6 | 64% | 0.639 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.1 | -2.5 | -173 | 0 | 0 | 0 | 0 | 0 | 117.4 | L53 | L53-G55 PolarHBondContact O-N 2.97Š|
| 56 | L | 45.9 | Very low | 47.1 | Very low | 138 Ų | 138 | 136.7 Ų | 136.7 | 72% | 0.723 | 73% | 0.731 | S | S | * | * | | | trans | -108.8 | 31.2 | -176.9 | -67.1 | 177.9 | 0 | 0 | 0 | 114.3 | T58 | L56-T58 PolarHBondContact O-N 3.39Š|
| 57 | N | 43.1 | Very low | 46.4 | Very low | 149 Ų | 149 | 144 Ų | 144 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 39.8 | -177 | -151.5 | 0.6 | 0 | 0 | 0 | 113.5 | | |
| 58 | T | 44.1 | Very low | 45.7 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.5 | 2.4 | -169.8 | 49.8 | 0 | 0 | 0 | 0 | 114.6 | L56 | L56-T58 PolarHBondContact O-N 3.39Š|
| 59 | L | 44.1 | Very low | 44.8 | Very low | 143 Ų | 143 | 140.4 Ų | 140.4 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | | | trans | -111.3 | 7.7 | -179.7 | -68 | 176.8 | 0 | 0 | 0 | 114.8 | Q61 | L59-Q61 PolarHBondContact O-N 3.17Š|
| 60 | S | 39.2 | Very low | 44.2 | Very low | 102 Ų | 102 | 139.7 Ų | 139.7 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 33.7 | -176.5 | -54 | 0 | 0 | 0 | 0 | 115.6 | | |
| 61 | Q | 42.5 | Very low | 43.7 | Very low | 178 Ų | 178 | 141.2 Ų | 141.2 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129 | -4.9 | 175.8 | -72.6 | -161.6 | -10.9 | 0 | 0 | 115.9 | L59 | L59-Q61 PolarHBondContact O-N 3.17Š|
| 62 | Y | 40.2 | Very low | 43 | Very low | 227 Ų | 227 | 145 Ų | 145 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | | | trans | -129.6 | 71.8 | 175.9 | -82.9 | -83.3 | 0 | 0 | 0 | 113.6 | | |
| 63 | S | 35.9 | Very low | 42.4 | Very low | 106 Ų | 106 | 146.4 Ų | 146.4 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | | | trans | -146.6 | 82.5 | 155.4 | -168 | 0 | 0 | 0 | 0 | 111.1 | | |
| 64 | R | 44.6 | Very low | 41.9 | Very low | 250 Ų | 250 | 146.5 Ų | 146.5 | 94% | 0.943 | 79% | 0.787 | S | S | * | * | | | trans | -99 | 21.8 | 173.8 | -151.3 | -177.2 | -173.7 | 174.8 | 3.5 | 112.5 | | |
| 65 | F | 39.9 | Very low | 41.5 | Very low | 188 Ų | 188 | 149.2 Ų | 149.2 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -141.8 | 92.6 | 177.7 | -103.1 | -84.2 | 0 | 0 | 0 | 109.9 | | |
| 66 | G | 36.7 | Very low | 41.3 | Very low | 71 Ų | 71 | 153.1 Ų | 153.1 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | | | trans | -67.7 | 129.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | G68 | G66-G68 PolarHBondContact O-N 3.3Å; G66-G68 VanDerWaalsContact O-N 3.07Å |
| 67 | F | 42.8 | Very low | 40.9 | Very low | 227 Ų | 227 | 154 Ų | 154 | 100% | 0.996 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -81.2 | 85.2 | 177.1 | -137.2 | -91.3 | 0 | 0 | 0 | 109.5 | | |
| 68 | G | 37.5 | Very low | 41 | Very low | 67 Ų | 67 | 150.2 Ų | 150.2 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | | | trans | -165.2 | 66.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | G66 | G66-G68 PolarHBondContact O-N 3.3Å; G66-G68 VanDerWaalsContact O-N 3.07Å |
| 69 | K | 38.7 | Very low | 41.3 | Very low | 168 Ų | 168 | 152.9 Ų | 152.9 | 73% | 0.73 | 80% | 0.797 | S | S | * | * | | | trans | -91.1 | 109.6 | -176.6 | -78 | 167.2 | 162.4 | 176.6 | 0 | 112.3 | F71 | K69-F71 HydrophobicContact CB-CD2 4.16Å; K69-F71 HydrophobicContact CD-CD2 3.9Å; K69-F71 HydrophobicContact CD-CE2 3.57Å; K69-F71 HydrophobicContact CD-CZ 4.34Å; K69-F71 HydrophobicContact CG-CD2 4.35Å; K69-F71 HydrophobicContact CG-CE2 4.31Å; K69-F71 PolarHBondContact O-N 3.08Å |
| 70 | S | 36.8 | Very low | 41.2 | Very low | 115 Ų | 115 | 153.2 Ų | 153.2 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -85.1 | 76.8 | 154.3 | 45.1 | 0 | 0 | 0 | 0 | 109.9 | N72 | S70-N72 PolarHBondContact O-N 3.32Š|
| 71 | F | 43.2 | Very low | 41.3 | Very low | 165 Ų | 165 | 152.2 Ų | 152.2 | 72% | 0.724 | 79% | 0.789 | S | S | * | * | | | trans | -73.1 | 80.1 | 169.8 | -90 | -50.8 | 0 | 0 | 0 | 110.4 | K69 | K69-F71 HydrophobicContact CB-CD2 4.16Å; K69-F71 HydrophobicContact CD-CD2 3.9Å; K69-F71 HydrophobicContact CD-CE2 3.57Å; K69-F71 HydrophobicContact CD-CZ 4.34Å; K69-F71 HydrophobicContact CG-CD2 4.35Å; K69-F71 HydrophobicContact CG-CE2 4.31Å; K69-F71 PolarHBondContact O-N 3.08Å |
| 72 | N | 39.9 | Very low | 41.5 | Very low | 149 Ų | 149 | 150.1 Ų | 150.1 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | | | trans | -161.9 | 67.1 | 160.2 | -107.5 | -33.1 | 0 | 0 | 0 | 111.5 | S70 | S70-N72 PolarHBondContact O-N 3.32Š|
| 73 | S | 38.2 | Very low | 41.5 | Very low | 121 Ų | 121 | 146.5 Ų | 146.5 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | | | trans | -101.2 | 114.6 | 156.2 | -61.7 | 0 | 0 | 0 | 0 | 107 | | |
| 74 | L | 39.2 | Very low | 41.6 | Very low | 128 Ų | 128 | 146.5 Ų | 146.5 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | | | trans | -58.2 | 148.2 | -177.6 | -98.1 | 64.2 | 0 | 0 | 0 | 112.1 | M76 | L74-M76 HydrophobicContact CB-CB 4.46Å; L74-M76 PolarHBondContact O-N 2.92Å |
| 75 | W | 46.3 | Very low | 41.3 | Very low | 260 Ų | 260 | 139.9 Ų | 139.9 | 99% | 0.985 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -63.6 | 84.5 | 147.8 | -98.2 | 72 | 0 | 0 | 0 | 109.1 | | |
| 76 | M | 47.8 | Very low | 41.5 | Very low | 143 Ų | 143 | 134.9 Ų | 134.9 | 70% | 0.704 | 76% | 0.761 | S | S | * | * | | | trans | -160.8 | 173.9 | 162.5 | -94.8 | -44.2 | -165.9 | 0 | 0 | 110 | L74 | L74-M76 HydrophobicContact CB-CB 4.46Å; L74-M76 PolarHBondContact O-N 2.92Å |
| 77 | H | 38.1 | Very low | 42 | Very low | 158 Ų | 158 | 136.8 Ų | 136.8 | 73% | 0.731 | 76% | 0.76 | S | S | * | * | | | trans | 72.1 | 48.8 | 177.1 | -45.9 | -68.1 | 0 | 0 | 0 | 116.2 | | |
| 78 | G | 44.4 | Very low | 42 | Very low | 69 Ų | 69 | 137.1 Ų | 137.1 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | | | | -65.3 | 154.6 | 129.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 79 | L | 51.9 | Low | 42.2 | Very low | 175 Ų | 175 | 142 Ų | 142 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 76.2 | 48.3 | 174.8 | -47.7 | 178.2 | 0 | 0 | 0 | 118.2 | | |
| 80 | L | 40.6 | Very low | 42.2 | Very low | 151 Ų | 151 | 144.1 Ų | 144.1 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | | | trans | -139.6 | 152.7 | 151.5 | -80 | -177.8 | 0 | 0 | 0 | 111.9 | | |
| 81 | P | 41.3 | Very low | 42.3 | Very low | 80 Ų | 80 | 144.5 Ų | 144.5 | 52% | 0.519 | 77% | 0.765 | S | S | . | * | | | trans | -78.9 | 160.8 | 178.7 | -7.6 | 25.7 | 0 | 0 | 0 | 113 | H83 | P81-H83 PolarHBondContact O-CD2 2.99Å; P81-H83 PolarHBondContact O-N 3.33Å |
| 82 | P | 46.7 | Very low | 42.4 | Very low | 134 Ų | 134 | 146.9 Ų | 146.9 | 87% | 0.87 | 77% | 0.769 | S | S | * | * | | | trans | -78.7 | 83.8 | -177.8 | 32.9 | -35.8 | 0 | 0 | 0 | 112.2 | S84 | P82-S84 PolarHBondContact O-N 3.43Š|
| 83 | H | 41.1 | Very low | 42.6 | Very low | 152 Ų | 152 | 148.5 Ų | 148.5 | 70% | 0.704 | 77% | 0.772 | S | S | * | * | | | trans | -86.1 | 107.3 | 176.6 | -68.9 | -77.6 | 0 | 0 | 0 | 112.4 | P81 | P81-H83 PolarHBondContact O-CD2 2.99Å; P81-H83 PolarHBondContact O-N 3.33Å |
| 84 | S | 38.7 | Very low | 42.9 | Very low | 106 Ų | 106 | 150.8 Ų | 150.8 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | | | trans | 20.9 | 113 | 147 | 54.2 | 0 | 0 | 0 | 0 | 118.3 | P82 | P82-S84 PolarHBondContact O-N 3.43Š|
| 85 | S | 37.8 | Very low | 43.1 | Very low | 110 Ų | 110 | 151.7 Ų | 151.7 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | trans | -67.3 | 142 | 165.4 | 45.8 | 0 | 0 | 0 | 0 | 112 | | |
| 86 | P | 44.1 | Very low | 43.1 | Very low | 83 Ų | 83 | 146 Ų | 146 | 54% | 0.539 | 76% | 0.764 | S | S | . | * | | | trans | -69.2 | 146.6 | 174.5 | 28.7 | -34.4 | 0 | 0 | 0 | 111.1 | W88 | P86-W88 PolarHBondContact O-N 3.49Š|
| 87 | P | 46.5 | Very low | 42.8 | Very low | 111 Ų | 111 | 145.6 Ų | 145.6 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -8.4 | -170.2 | 27.8 | -36.1 | 0 | 0 | 0 | 115 | M89 | P87-M89 VanDerWaalsContact C-N 3.32Å; P87-M89 PolarHBondContact O-N 2.95Å |
| 88 | W | 44.2 | Very low | 43.2 | Very low | 234 Ų | 234 | 147.1 Ų | 147.1 | 89% | 0.886 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -7.2 | -178 | -60.8 | -36.9 | 0 | 0 | 0 | 114.8 | P86 | P86-W88 PolarHBondContact O-N 3.49Š|
| 89 | M | 39.9 | Very low | 43 | Very low | 171 Ų | 171 | 154.4 Ų | 154.4 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | | | trans | -101.2 | 53.6 | 174.2 | -81.3 | -73.2 | -164.4 | 0 | 0 | 112.6 | P87 | P87-M89 VanDerWaalsContact C-N 3.32Å; P87-M89 PolarHBondContact O-N 2.95Å |
| 90 | R | 39.9 | Very low | 42.7 | Very low | 212 Ų | 212 | 154.6 Ų | 154.6 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -104.7 | 132.6 | 153.9 | -69.3 | -168.5 | -165.5 | 158.8 | 6.6 | 108.9 | R92 | R90-R92 PolarHBondContact O-N 3.36Å; R90-R92 VanDerWaalsContact O-N 3.08Å |
| 91 | P | 38.5 | Very low | 42.7 | Very low | 123 Ų | 123 | 158.3 Ų | 158.3 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | | | trans | -57.4 | 115.4 | 157.6 | -16.2 | 30.2 | 0 | 0 | 0 | 107.3 | E93 | P91-E93 PolarHBondContact O-N 3.14Š|
| 92 | R | 44.3 | Very low | 43.1 | Very low | 214 Ų | 214 | 160.4 Ų | 160.4 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | | | trans | -76 | 115.6 | 169.6 | -147.8 | -179 | -165.2 | -172.3 | 4.1 | 106.2 | R90 H94 | R90-R92 PolarHBondContact O-N 3.36Å; R90-R92 VanDerWaalsContact O-N 3.08Å; R92-H94 PolarHBondContact O-CD2 3.11Å; R92-H94 VanDerWaalsContact O-CD2 3.28Å; R92-H94 PolarHBondContact O-N 3.19Å |
| 93 | E | 45.4 | Very low | 43.7 | Very low | 184 Ų | 184 | 161.1 Ų | 161.1 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | trans | -58.5 | 104.2 | 168.9 | -72.4 | 153.1 | -140.1 | 0 | 0 | 107.2 | P91 E95 | P91-E93 PolarHBondContact O-N 3.14Å; E93-E95 VanDerWaalsContact C-N 3.34Å; E93-E95 PolarHBondContact O-N 3.04Å |
| 94 | H | 43.9 | Very low | 44.1 | Very low | 169 Ų | 169 | 159.3 Ų | 159.3 | 78% | 0.782 | 79% | 0.79 | S | S | * | * | | | trans | -75 | 92.2 | -179.3 | -91.2 | -92.8 | 0 | 0 | 0 | 108.5 | R92 T96 | R92-H94 PolarHBondContact O-CD2 3.11Å; R92-H94 VanDerWaalsContact O-CD2 3.28Å; R92-H94 PolarHBondContact O-N 3.19Å; H94-T96 PolarHBondContact O-N 3.47Å |
| 95 | E | 43.2 | Very low | 44.9 | Very low | 147 Ų | 147 | 161 Ų | 161 | 69% | 0.687 | 80% | 0.796 | S | S | * | * | | | trans | -47.1 | 136.3 | 166.4 | -64.4 | -172.4 | 158.5 | 0 | 0 | 109.9 | E93 Q97 | E93-E95 VanDerWaalsContact C-N 3.34Å; E93-E95 PolarHBondContact O-N 3.04Å; E95-Q97 HydrophobicContact CB-CG 4Å; E95-Q97 PolarHBondContact O-N 3.35Å; E95-Q97 PolarHBondContact OE2-NE2 3.25Å |
| 96 | T | 47.4 | Very low | 45.6 | Very low | 139 Ų | 139 | 163.7 Ų | 163.7 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | | | trans | -77.5 | 55.2 | -179 | 54.2 | 0 | 0 | 0 | 0 | 111.5 | H94 Q98 | H94-T96 PolarHBondContact O-N 3.47Å; T96-Q98 PolarHBondContact O-N 3.49Å |
| 97 | Q | 41.6 | Very low | 46.3 | Very low | 135 Ų | 135 | 164.9 Ų | 164.9 | 63% | 0.631 | 80% | 0.804 | S | S | * | * | | | trans | -76.6 | 115.2 | 172.6 | -63.1 | -75.3 | -5.3 | 0 | 0 | 108.4 | E95 Y99 | E95-Q97 HydrophobicContact CB-CG 4Å; E95-Q97 PolarHBondContact O-N 3.35Å; E95-Q97 PolarHBondContact OE2-NE2 3.25Å; Q97-Y99 PolarHBondContact O-N 3.26Å |
| 98 | Q | 45 | Very low | 46.6 | Very low | 191 Ų | 191 | 165 Ų | 165 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | | | trans | -69 | 114 | -176 | -64.7 | 158.9 | -104.5 | 0 | 0 | 110.2 | T96 E100 | T96-Q98 PolarHBondContact O-N 3.49Å; Q98-E100 PolarHBondContact O-N 3.09Å; Q98-E100 VanDerWaalsContact O-N 3.1Å |
| 99 | Y | 41.6 | Very low | 46.9 | Very low | 222 Ų | 222 | 160.1 Ų | 160.1 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | | | trans | -74.2 | 102.5 | 169.5 | -89.7 | -90.5 | 0 | 0 | 0 | 109.9 | Q97 | Q97-Y99 PolarHBondContact O-N 3.26Š|
| 100 | E | 44.4 | Very low | 47.4 | Very low | 179 Ų | 179 | 159.6 Ų | 159.6 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | | | trans | -63.9 | 140.2 | 175.5 | -151.4 | 169.2 | -161.1 | 0 | 0 | 110.5 | Q98 S102 | Q98-E100 PolarHBondContact O-N 3.09Å; Q98-E100 VanDerWaalsContact O-N 3.1Å; E100-S102 PolarHBondContact O-N 3.36Å |
| 101 | Y | 41.7 | Very low | 47.7 | Very low | 229 Ų | 229 | 154.9 Ų | 154.9 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | | | trans | -68.9 | 93.1 | -173 | -84.1 | -97.9 | 0 | 0 | 0 | 111.6 | L103 | Y101-L103 PolarHBondContact O-N 3.05Å; Y101-L103 VanDerWaalsContact O-N 3.15Å |
| 102 | S | 50.1 | Low | 47.8 | Very low | 123 Ų | 123 | 154.6 Ų | 154.6 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | trans | -64.1 | 112.1 | 168.3 | -68.4 | 0 | 0 | 0 | 0 | 109.9 | E100 | E100-S102 PolarHBondContact O-N 3.36Š|
| 103 | L | 58.7 | Low | 47.6 | Very low | 150 Ų | 150 | 153 Ų | 153 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | trans | -58.4 | 154.5 | 179.5 | -74.5 | 163.5 | 0 | 0 | 0 | 112.1 | Y101 V105 | Y101-L103 PolarHBondContact O-N 3.05Å; Y101-L103 VanDerWaalsContact O-N 3.15Å; L103-V105 PolarHBondContact O-N 3.41Å; L103-V105 VanDerWaalsContact O-N 3.09Å |
| 104 | P | 50 | Low | 47.6 | Very low | 113 Ų | 113 | 150.2 Ų | 150.2 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | | | trans | -55.8 | 117.2 | 175.2 | -24.4 | 34.5 | 0 | 0 | 0 | 111.6 | H106 | P104-H106 PolarHBondContact O-N 2.9Å; P104-H106 VanDerWaalsContact O-N 3.1Å |
| 105 | V | 54 | Low | 47.2 | Very low | 143 Ų | 143 | 147.6 Ų | 147.6 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | | | trans | -67.8 | 109.8 | 176.9 | -179.5 | 0 | 0 | 0 | 0 | 108.6 | L103 | L103-V105 PolarHBondContact O-N 3.41Å; L103-V105 VanDerWaalsContact O-N 3.09Å |
| 106 | H | 53.2 | Low | 47.2 | Very low | 165 Ų | 165 | 148.6 Ų | 148.6 | 76% | 0.764 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 139.9 | 174.8 | -79.2 | -88.7 | 0 | 0 | 0 | 110.9 | P104 | P104-H106 PolarHBondContact O-N 2.9Å; P104-H106 VanDerWaalsContact O-N 3.1Å |
| 107 | P | 58 | Low | 46.8 | Very low | 108 Ų | 108 | 151 Ų | 151 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 151.3 | 168.3 | 29.1 | -34.6 | 0 | 0 | 0 | 110.4 | | |
| 108 | P | 52.7 | Low | 46.7 | Very low | 114 Ų | 114 | 150.5 Ų | 150.5 | 74% | 0.74 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 145.1 | -177.2 | 26.5 | -34.9 | 0 | 0 | 0 | 111.9 | L110 | P108-L110 PolarHBondContact O-N 2.93Š|
| 109 | P | 51.6 | Low | 46.3 | Very low | 131 Ų | 131 | 150.4 Ų | 150.4 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 130.2 | -179.3 | 27.9 | -34.2 | 0 | 0 | 0 | 111.6 | | |
| 110 | L | 50.8 | Low | 46.1 | Very low | 160 Ų | 160 | 148.4 Ų | 148.4 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -67 | 152.8 | 171.1 | -71.5 | 172.7 | 0 | 0 | 0 | 111.1 | P108 S112 | P108-L110 PolarHBondContact O-N 2.93Å; L110-S112 PolarHBondContact O-N 3.42Å; L110-S112 VanDerWaalsContact O-N 3.1Å |
| 111 | P | 44.8 | Very low | 45.7 | Very low | 114 Ų | 114 | 146.5 Ų | 146.5 | 74% | 0.74 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -63.8 | 113 | -170.9 | 23.4 | -34.1 | 0 | 0 | 0 | 113.6 | | |
| 112 | S | 40.9 | Very low | 45.2 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | | | trans | 26.7 | 94.1 | 152.8 | 60.2 | 0 | 0 | 0 | 0 | 117.9 | L110 | L110-S112 PolarHBondContact O-N 3.42Å; L110-S112 VanDerWaalsContact O-N 3.1Å |
| 113 | Q | 41.2 | Very low | 44.4 | Very low | 181 Ų | 181 | 140.3 Ų | 140.3 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | | | trans | -96.9 | 151.5 | 147.5 | -71.5 | -162.3 | 12.6 | 0 | 0 | 110 | | |
| 114 | P | 44 | Very low | 43.1 | Very low | 125 Ų | 125 | 142.1 Ų | 142.1 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | | | trans | -67.7 | 132.8 | -172.4 | 25.9 | -34.5 | 0 | 0 | 0 | 113 | L116 | P114-L116 PolarHBondContact O-N 2.95Å; P114-L116 VanDerWaalsContact O-N 3.17Å |
| 115 | S | 36.3 | Very low | 42.5 | Very low | 115 Ų | 115 | 141.6 Ų | 141.6 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | trans | -67.3 | 109.1 | -172.7 | -53 | 0 | 0 | 0 | 0 | 114.1 | K117 | S115-K117 PolarHBondContact O-N 3.01Š|
| 116 | L | 42.8 | Very low | 41.3 | Very low | 168 Ų | 168 | 144 Ų | 144 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | | | trans | -71.8 | 111.7 | 153.1 | -74.3 | 170.1 | 0 | 0 | 0 | 108.6 | P114 P118 | P114-L116 PolarHBondContact O-N 2.95Å; P114-L116 VanDerWaalsContact O-N 3.17Å; L116-P118 WeakPolarHBondContact O-CD 3.21Å |
| 117 | K | 39.8 | Very low | 40.5 | Very low | 190 Ų | 190 | 144.7 Ų | 144.7 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 124.9 | 178.6 | -66.3 | -179.5 | 178.4 | 177.3 | 0 | 110.4 | S115 Q119 | S115-K117 PolarHBondContact O-N 3.01Å; K117-Q119 PolarHBondContact O-N 3.31Å |
| 118 | P | 39.8 | Very low | 39.1 | Very low | 124 Ų | 124 | 148.4 Ų | 148.4 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 120.4 | 161.8 | -15.2 | 30.4 | 0 | 0 | 0 | 108.7 | L116 Q120 | L116-P118 WeakPolarHBondContact O-CD 3.21Å; P118-Q120 PolarHBondContact O-N 3.11Å |
| 119 | Q | 36.3 | Very low | 37.9 | Very low | 189 Ų | 189 | 147.7 Ų | 147.7 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 125.8 | 163.9 | -72.8 | -176.9 | -88.6 | 0 | 0 | 108.2 | K117 | K117-Q119 PolarHBondContact O-N 3.31Š|
| 120 | Q | 37.8 | Very low | 36.7 | Very low | 179 Ų | 179 | 146.3 Ų | 146.3 | 84% | 0.836 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 139 | 166.9 | -71.9 | -174 | -12.8 | 0 | 0 | 109.4 | P118 G122 | P118-Q120 PolarHBondContact O-N 3.11Å; Q120-G122 PolarHBondContact O-N 3.38Å |
| 121 | P | 34.2 | Very low | 35.7 | Very low | 139 Ų | 139 | 143.4 Ų | 143.4 | 90% | 0.903 | 82% | 0.821 | S | S | * | * | | | trans | -75.1 | 63.8 | 173.9 | 32.1 | -35.4 | 0 | 0 | 0 | 111.2 | L123 | P121-L123 PolarHBondContact O-N 3.35Š|
| 122 | G | 32.2 | Very low | 34.8 | Very low | 62 Ų | 62 | 142.4 Ų | 142.4 | 64% | 0.639 | 82% | 0.822 | S | S | * | * | | | trans | -95.8 | 82.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q120 | Q120-G122 PolarHBondContact O-N 3.38Š|
| 123 | L | 33.8 | Very low | 34.2 | Very low | 160 Ų | 160 | 144 Ų | 144 | 84% | 0.838 | 83% | 0.827 | S | S | * | * | | | trans | -142.9 | 143.7 | 165.9 | -69.3 | 177.6 | 0 | 0 | 0 | 107.6 | P121 | P121-L123 PolarHBondContact O-N 3.35Š|
| 124 | K | 30.6 | Very low | 33.6 | Very low | 189 Ų | 189 | 139.6 Ų | 139.6 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | | | cis | -137.6 | 149.3 | 21.1 | -58.6 | 161.9 | -173.3 | 172.1 | 0 | 110.4 | | |
| 125 | P | 37.6 | Very low | 32.8 | Very low | 102 Ų | 102 | 141.6 Ų | 141.6 | 66% | 0.662 | 83% | 0.826 | S | S | * | * | | | | -119.9 | -178.2 | 117.1 | 32.8 | -30.1 | 0 | 0 | 0 | 112.4 | | |
| 126 | F | 28.7 | Very low | 32.5 | Very low | 194 Ų | 194 | 145.7 Ų | 145.7 | 85% | 0.851 | 83% | 0.832 | S | S | * | * | | | trans | 70.3 | 92.8 | 177 | -56.1 | -73.8 | 0 | 0 | 0 | 117.7 | | |
| 127 | L | 35.9 | Very low | 31.8 | Very low | 179 Ų | 179 | 141.7 Ų | 141.7 | 94% | 0.937 | 82% | 0.824 | S | S | * | * | | | trans | -102.5 | 107.2 | 137.7 | -80.5 | 173 | 0 | 0 | 0 | 108 | | |
| 128 | Q | 29.7 | Very low | 31.3 | Very low | 186 Ų | 186 | 139.5 Ų | 139.5 | 87% | 0.869 | 83% | 0.826 | S | S | * | * | | | trans | -166.2 | 143.3 | 154.8 | -126 | 178.3 | 15.1 | 0 | 0 | 112.9 | | |
| 129 | A | 27.6 | Very low | 30.7 | Very low | 99 Ų | 99 | 137.9 Ų | 137.9 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | | | trans | 61.1 | 145.7 | 166 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 130 | A | 26.1 | Very low | 30.5 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | | | cis | -153.8 | 166 | -22.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 131 | A | 29 | Very low | 30 | Very low | 98 Ų | 98 | 138.1 Ų | 138.1 | 81% | 0.81 | 82% | 0.822 | S | S | * | * | | | trans | -95.3 | 174.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 132 | A | 27.3 | Very low | 29.5 | Very low | 94 Ų | 94 | 138.8 Ų | 138.8 | 78% | 0.777 | 81% | 0.813 | S | S | * | * | | | trans | 79.7 | 101.1 | 157.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 133 | T | 28 | Very low | 29.3 | Very low | 148 Ų | 148 | 140 Ų | 140 | 91% | 0.908 | 82% | 0.817 | S | S | * | * | | | | -168.9 | 139.3 | 125.8 | 14.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 134 | A | 27.5 | Very low | 29.1 | Very low | 90 Ų | 90 | 139.9 Ų | 139.9 | 74% | 0.744 | 82% | 0.817 | S | S | * | * | | | cis | -145.4 | 154.9 | -10.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 135 | D | 27.9 | Very low | 29.1 | Very low | 167 Ų | 167 | 139.8 Ų | 139.8 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | | | trans | -76.4 | 134.4 | 167 | -65.8 | -78.6 | 0 | 0 | 0 | 110.8 | | |
| 136 | E | 29.9 | Very low | 29.5 | Very low | 200 Ų | 200 | 140 Ų | 140 | 94% | 0.935 | 82% | 0.82 | S | S | * | * | | | trans | -133.9 | 132.1 | 140.7 | -165.9 | 173.4 | 149.7 | 0 | 0 | 108.4 | | |
| 137 | A | 27.3 | Very low | 30.5 | Very low | 85 Ų | 85 | 135.9 Ų | 135.9 | 70% | 0.702 | 81% | 0.813 | S | S | * | * | | | trans | -108.4 | 141.9 | -167.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 138 | T | 29.6 | Very low | 30.1 | Very low | 143 Ų | 143 | 134.6 Ų | 134.6 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | | | trans | -148.3 | 122 | 139.4 | -73.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 139 | A | 27.3 | Very low | 30.4 | Very low | 90 Ų | 90 | 135 Ų | 135 | 74% | 0.744 | 81% | 0.807 | S | S | * | * | | | trans | -91 | 147.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 140 | Q | 31.7 | Very low | 30.6 | Very low | 197 Ų | 197 | 138.2 Ų | 138.2 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | | | trans | -132.4 | 157.3 | 137.8 | -75 | -150.4 | -0.4 | 0 | 0 | 110.8 | | |
| 141 | K | 27.2 | Very low | 30.5 | Very low | 177 Ų | 177 | 135.8 Ų | 135.8 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | | | trans | -62.6 | 137.2 | -166.3 | -83.3 | -168.9 | 168 | -122.6 | 0 | 113.2 | | |
| 142 | E | 24.4 | Very low | 30.7 | Very low | 152 Ų | 152 | 140 Ų | 140 | 71% | 0.71 | 80% | 0.797 | S | S | * | * | | | | 84.7 | 135 | 57.3 | -173.3 | -174.3 | -153.2 | 0 | 0 | 112.2 | | |
| 143 | A | 27.3 | Very low | 30.8 | Very low | 88 Ų | 88 | 142.1 Ų | 142.1 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | 70.4 | 142.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 144 | L | 31.4 | Very low | 30.7 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | | | cis | -171.4 | 108.4 | -35.1 | -117.5 | 161.2 | 0 | 0 | 0 | 109.4 | | |
| 145 | Q | 29.3 | Very low | 30.8 | Very low | 186 Ų | 186 | 143.2 Ų | 143.2 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | | | trans | 64.5 | 170.1 | 159.6 | -87.4 | -150.7 | -9.1 | 0 | 0 | 120.3 | | |
| 146 | P | 46.2 | Very low | 30.8 | Very low | 106 Ų | 106 | 142.9 Ų | 142.9 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | | | trans | -125.3 | -146.4 | -149.4 | 49.1 | -35.6 | 0 | 0 | 0 | 111.9 | | |
| 147 | P | 49 | Very low | 30.7 | Very low | 109 Ų | 109 | 141.6 Ų | 141.6 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | | | cis | -118.9 | -163.9 | -29.9 | 40.6 | -25.5 | 0 | 0 | 0 | 111.1 | | |
| 148 | I | 28.8 | Very low | 30.8 | Very low | 152 Ų | 152 | 141.1 Ų | 141.1 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | | | trans | 171.7 | 149.5 | 137.7 | -92.7 | 157.5 | 0 | 0 | 0 | 112.3 | | |
| 149 | H | 36.2 | Very low | 30.6 | Very low | 195 Ų | 195 | 143.3 Ų | 143.3 | 90% | 0.903 | 77% | 0.772 | S | S | * | * | | | trans | -98.7 | 134.9 | 167.4 | -79.1 | -101.2 | 0 | 0 | 0 | 111.7 | | |
| 150 | L | 30.4 | Very low | 30.6 | Very low | 166 Ų | 166 | 146.7 Ų | 146.7 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | | | trans | -161.5 | 143 | 166.7 | -159 | 147.9 | 0 | 0 | 0 | 108.9 | | |
| 151 | G | 25.4 | Very low | 31.4 | Very low | 50 Ų | 50 | 142.8 Ų | 142.8 | 52% | 0.515 | 77% | 0.768 | S | S | . | * | | | cis | 147.5 | 100.5 | -9.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 152 | Q | 32.2 | Very low | 31.4 | Very low | 186 Ų | 186 | 141.9 Ų | 141.9 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | | | trans | 69.4 | 164.4 | 172.1 | -46.3 | 173.5 | 15 | 0 | 0 | 113.8 | | |
| 153 | L | 29.6 | Very low | 31.6 | Very low | 140 Ų | 140 | 140.5 Ų | 140.5 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | | | cis | -127.9 | -176 | 12.1 | -75.6 | 161.5 | 0 | 0 | 0 | 110.1 | | |
| 154 | L | 27 | Very low | 32 | Very low | 137 Ų | 137 | 144.3 Ų | 144.3 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | | | cis | -157.2 | 172.9 | 21.9 | -161.7 | 90.4 | 0 | 0 | 0 | 112 | | |
| 155 | L | 29 | Very low | 31.9 | Very low | 124 Ų | 124 | 146 Ų | 146 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | | | trans | -30.7 | 165.8 | 161.7 | -78.5 | 53 | 0 | 0 | 0 | 117.2 | | |
| 156 | Q | 28 | Very low | 32.1 | Very low | 159 Ų | 159 | 145.5 Ų | 145.5 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | | | cis | -147.2 | -178.9 | 3.8 | -125.9 | 163.6 | 10.4 | 0 | 0 | 107.9 | | |
| 157 | E | 27.6 | Very low | 31.3 | Very low | 174 Ų | 174 | 147.4 Ų | 147.4 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | cis | -170.6 | 145.1 | 44.4 | -164.5 | 168.5 | 118.3 | 0 | 0 | 111.3 | | |
| 158 | G | 28.4 | Very low | 30.5 | Very low | 74 Ų | 74 | 146.2 Ų | 146.2 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | | | trans | 58.2 | 141 | 158.4 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 159 | E | 25.3 | Very low | 30.8 | Very low | 190 Ų | 190 | 145.4 Ų | 145.4 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | | | cis | -159.8 | 161.9 | -9.9 | -163.4 | 177.2 | 150.8 | 0 | 0 | 108.7 | | |
| 160 | L | 29.2 | Very low | 30.6 | Very low | 161 Ų | 161 | 141.7 Ų | 141.7 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | trans | -147.5 | 160.1 | 178 | -77.1 | 174.3 | 0 | 0 | 0 | 109.8 | | |
| 161 | P | 47.6 | Very low | 30.7 | Very low | 115 Ų | 115 | 141 Ų | 141 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | | | cis | -125.4 | -153.1 | -41.6 | 39.3 | -22.8 | 0 | 0 | 0 | 109.2 | | |
| 162 | L | 26.6 | Very low | 31.4 | Very low | 157 Ų | 157 | 147.3 Ų | 147.3 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | trans | 151 | 160.1 | 131.9 | -160.9 | 65.7 | 0 | 0 | 0 | 113.7 | | |
| 163 | V | 29.8 | Very low | 31.6 | Very low | 123 Ų | 123 | 144.1 Ų | 144.1 | 75% | 0.745 | 79% | 0.792 | S | S | * | * | | | trans | 84.4 | 123.8 | 162.5 | -169.1 | 0 | 0 | 0 | 0 | 117.8 | | |
| 164 | Q | 34.6 | Very low | 32.1 | Very low | 169 Ų | 169 | 143.3 Ų | 143.3 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | | | trans | -82.9 | 152 | 166.6 | -46.8 | 167.6 | 19.7 | 0 | 0 | 110.7 | | |
| 165 | Q | 30.6 | Very low | 32.6 | Very low | 193 Ų | 193 | 144.7 Ų | 144.7 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | | | | -155 | 146.9 | 120.7 | -129.9 | 155.2 | 107.3 | 0 | 0 | 114.9 | | |
| 166 | Q | 32.9 | Very low | 32.9 | Very low | 175 Ų | 175 | 144.5 Ų | 144.5 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -112.3 | 130.1 | 177.2 | 168.8 | -168.6 | 7.3 | 0 | 0 | 107.9 | | |
| 167 | V | 29.7 | Very low | 33.2 | Very low | 146 Ų | 146 | 144.6 Ų | 144.6 | 89% | 0.885 | 80% | 0.802 | S | S | * | * | | | trans | -172.6 | 148.3 | 152.4 | 133.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 168 | A | 31.5 | Very low | 33.9 | Very low | 84 Ų | 84 | 144.4 Ų | 144.4 | 69% | 0.694 | 81% | 0.805 | S | S | * | * | | | trans | -106.5 | 155.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 169 | P | 35.5 | Very low | 34.3 | Very low | 136 Ų | 136 | 146.7 Ų | 146.7 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | | | trans | -67.2 | 143.9 | 171.1 | -17.1 | 31.6 | 0 | 0 | 0 | 112.3 | | |
| 170 | S | 30.9 | Very low | 34.8 | Very low | 117 Ų | 117 | 141.5 Ų | 141.5 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -101.5 | 143.2 | 169.1 | 174.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 171 | D | 34.1 | Very low | 35.1 | Very low | 151 Ų | 151 | 138.5 Ų | 138.5 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | | | trans | -128.6 | 151 | 176.7 | -145.5 | -26.1 | 0 | 0 | 0 | 112.4 | | |
| 172 | K | 38.6 | Very low | 34.7 | Very low | 183 Ų | 183 | 141 Ų | 141 | 80% | 0.796 | 81% | 0.809 | S | S | * | * | | | trans | -151.4 | 136.6 | 177.9 | -79.2 | -175.1 | -179.5 | 175.5 | 0 | 109.1 | | |
| 173 | P | 37.7 | Very low | 35.1 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | | | trans | -131.1 | -157.4 | 134.4 | 44.7 | -34.3 | 0 | 0 | 0 | 110.1 | | |
| 174 | P | 39.5 | Very low | 35.3 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | | | | -117.9 | -179.7 | -120.3 | 17.7 | 8.8 | 0 | 0 | 0 | 114.5 | | |
| 175 | K | 36.6 | Very low | 35.5 | Very low | 166 Ų | 166 | 137.4 Ų | 137.4 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | | | trans | -104.7 | 125.8 | -176.6 | 179.4 | -161.7 | 170.2 | -145.2 | 0 | 111.2 | E177 | K175-E177 IonicContact NZ-OE1 3.69Š|
| 176 | P | 36.6 | Very low | 35.9 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | | | trans | -81.8 | 160.8 | 163.6 | -11.1 | 28.9 | 0 | 0 | 0 | 112.6 | | |
| 177 | E | 34.4 | Very low | 36.3 | Very low | 161 Ų | 161 | 134 Ų | 134 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | | | trans | -116.7 | 158 | 179.8 | -56.1 | -166.4 | 126.6 | 0 | 0 | 111.5 | K175 | K175-E177 IonicContact NZ-OE1 3.69Š|
| 178 | L | 41.1 | Very low | 36.3 | Very low | 170 Ų | 170 | 130 Ų | 130 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 132.1 | -178.1 | -71.3 | 174.8 | 0 | 0 | 0 | 111.2 | | |
| 179 | P | 36.7 | Very low | 36.8 | Very low | 122 Ų | 122 | 132 Ų | 132 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 133.8 | 153.1 | 33 | -29.3 | 0 | 0 | 0 | 109.5 | | |
| 180 | G | 36.9 | Very low | 37 | Very low | 81 Ų | 81 | 131.6 Ų | 131.6 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 156.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 181 | A | 34.7 | Very low | 37.3 | Very low | 98 Ų | 98 | 133.9 Ų | 133.9 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | | | trans | -146.2 | 141.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 182 | D | 38.9 | Very low | 37.5 | Very low | 167 Ų | 167 | 132 Ų | 132 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | | | trans | -64.3 | 147.5 | 178.6 | -76.2 | -69.6 | 0 | 0 | 0 | 112.7 | | |
| 183 | V | 35.5 | Very low | 37.6 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | | | trans | -122.9 | 112.1 | 158.7 | 179.8 | 0 | 0 | 0 | 0 | 106.8 | | |
| 184 | A | 34.4 | Very low | 37.4 | Very low | 92 Ų | 92 | 135 Ų | 135 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | | | trans | -77 | 155.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 185 | D | 37.9 | Very low | 37.7 | Very low | 137 Ų | 137 | 134.3 Ų | 134.3 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | | | trans | -75.1 | 122.6 | -177.6 | -175 | 34.1 | 0 | 0 | 0 | 112.3 | Q187 | D185-Q187 PolarHBondContact O-N 3.24Å; D185-Q187 VanDerWaalsContact O-N 3.12Å |
| 186 | P | 40.7 | Very low | 37.7 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | | | trans | -81.9 | 88.4 | -178.6 | 32.5 | -34.2 | 0 | 0 | 0 | 112 | G188 | P186-G188 PolarHBondContact O-N 3.44Š|
| 187 | Q | 39.5 | Very low | 37.6 | Very low | 176 Ų | 176 | 134.4 Ų | 134.4 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 130.9 | 177 | -66.2 | -175.3 | -13.1 | 0 | 0 | 113.4 | D185 | D185-Q187 PolarHBondContact O-N 3.24Å; D185-Q187 VanDerWaalsContact O-N 3.12Å |
| 188 | G | 31.6 | Very low | 37.9 | Very low | 64 Ų | 64 | 133.7 Ų | 133.7 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 153.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P186 | P186-G188 PolarHBondContact O-N 3.44Š|
| 189 | P | 40.3 | Very low | 37.8 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 146 | -171 | 30.9 | -35.9 | 0 | 0 | 0 | 113.8 | | |
| 190 | P | 40.5 | Very low | 38.1 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 142.4 | 175.4 | 32.6 | -34.6 | 0 | 0 | 0 | 112.4 | | |
| 191 | L | 36.2 | Very low | 37.9 | Very low | 165 Ų | 165 | 134.5 Ų | 134.5 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 155.6 | 167.9 | -76 | 176.4 | 0 | 0 | 0 | 111.2 | | |
| 192 | P | 39.9 | Very low | 38.1 | Very low | 113 Ų | 113 | 136 Ų | 136 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 138.9 | -160.8 | 27.2 | -35.2 | 0 | 0 | 0 | 114.3 | M194 | P192-M194 PolarHBondContact O-N 3.32Š|
| 193 | R | 39 | Very low | 38.3 | Very low | 205 Ų | 205 | 133.6 Ų | 133.6 | 77% | 0.774 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 121.2 | 165.8 | 173.8 | -178.2 | 176.8 | 133.8 | 8.7 | 110.4 | D195 | R193-D195 IonicContact CZ-OD1 2.76Å; R193-D195 VanDerWaalsContact CZ-OD1 3.22Å; R193-D195 IonicContact NE-OD1 3.74Å; R193-D195 PolarHBondContact NE-OD1 2.78Å; R193-D195 IonicContact NE-OD2 3.22Å; R193-D195 PolarHBondContact NE-OD2 2.94Å; R193-D195 IonicContact NH2-OD1 3.31Å; R193-D195 PolarHBondContact NH2-OD1 3.07Å |
| 194 | M | 35.4 | Very low | 38.3 | Very low | 158 Ų | 158 | 134.3 Ų | 134.3 | 78% | 0.778 | 78% | 0.783 | S | S | * | * | | | trans | -107.1 | 100 | 171.1 | -143.7 | 73.9 | 170.2 | 0 | 0 | 108.1 | P192 F196 | P192-M194 PolarHBondContact O-N 3.32Å; M194-F196 HydrophobicContact CG-CE2 4.18Å; M194-F196 PolarHBondContact O-N 3.17Å |
| 195 | D | 44.2 | Very low | 38.5 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 58% | 0.583 | 78% | 0.782 | S | S | * | * | | | trans | -71 | 128.2 | 179.7 | -66.8 | -73.7 | 0 | 0 | 0 | 111.1 | R193 | R193-D195 IonicContact CZ-OD1 2.76Å; R193-D195 VanDerWaalsContact CZ-OD1 3.22Å; R193-D195 IonicContact NE-OD1 3.74Å; R193-D195 PolarHBondContact NE-OD1 2.78Å; R193-D195 IonicContact NE-OD2 3.22Å; R193-D195 PolarHBondContact NE-OD2 2.94Å; R193-D195 IonicContact NH2-OD1 3.31Å; R193-D195 PolarHBondContact NH2-OD1 3.07Å |
| 196 | F | 36.5 | Very low | 39 | Very low | 190 Ų | 190 | 132.5 Ų | 132.5 | 83% | 0.833 | 79% | 0.786 | S | S | * | * | | | trans | -124.5 | 140.9 | 164.1 | -82.6 | -84.7 | 0 | 0 | 0 | 109.1 | M194 | M194-F196 HydrophobicContact CG-CE2 4.18Å; M194-F196 PolarHBondContact O-N 3.17Å |
| 197 | A | 36.1 | Very low | 38.8 | Very low | 97 Ų | 97 | 133.2 Ų | 133.2 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | | | trans | -85.2 | 146.9 | -157.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 198 | D | 40.4 | Very low | 39.1 | Very low | 147 Ų | 147 | 132.8 Ų | 132.8 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | | | trans | -62.4 | 131.5 | 171.8 | -63 | -68.2 | 0 | 0 | 0 | 112.8 | Q200 | D198-Q200 PolarHBondContact O-N 2.79Š|
| 199 | P | 39.3 | Very low | 39.4 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | | | trans | -76.6 | 102.8 | 156.8 | 31.1 | -29.5 | 0 | 0 | 0 | 109.1 | G201 | P199-G201 PolarHBondContact O-N 3.05Š|
| 200 | Q | 42.5 | Very low | 39.4 | Very low | 198 Ų | 198 | 137.2 Ų | 137.2 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | | | trans | -59.8 | 117.5 | -178.8 | -69.2 | -178.7 | -20.8 | 0 | 0 | 112.4 | D198 | D198-Q200 PolarHBondContact O-N 2.79Š|
| 201 | G | 33.3 | Very low | 39.2 | Very low | 63 Ų | 63 | 138.5 Ų | 138.5 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | | | trans | -113.5 | 154.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | P199 | P199-G201 PolarHBondContact O-N 3.05Š|
| 202 | P | 38.8 | Very low | 39.3 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | | | trans | -72 | 135.2 | -162.8 | 27.5 | -35.2 | 0 | 0 | 0 | 113.8 | | |
| 203 | S | 42.1 | Very low | 39.4 | Very low | 117 Ų | 117 | 140 Ų | 140 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -71.4 | 137.4 | 169.5 | 42.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 204 | L | 36.9 | Very low | 39.2 | Very low | 160 Ų | 160 | 133.4 Ų | 133.4 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | | | trans | -127.9 | 155.5 | 168.6 | -78.7 | 179.6 | 0 | 0 | 0 | 109.3 | | |
| 205 | P | 38 | Very low | 39.4 | Very low | 112 Ų | 112 | 131.6 Ų | 131.6 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | -77.6 | 152.1 | -151.9 | 30 | -36.3 | 0 | 0 | 0 | 113.5 | | |
| 206 | G | 48.2 | Very low | 39.2 | Very low | 79 Ų | 79 | 131.1 Ų | 131.1 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | | | trans | -65.9 | 144.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 207 | L | 36.7 | Very low | 39.5 | Very low | 134 Ų | 134 | 129.7 Ų | 129.7 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | | | trans | -114.1 | 121.3 | 149.1 | -81.2 | 83.7 | 0 | 0 | 0 | 107.1 | F209 | L207-F209 HydrophobicContact CB-CD2 4.08Å; L207-F209 HydrophobicContact CB-CE2 3.64Å; L207-F209 HydrophobicContact CB-CZ 4.38Å; L207-F209 HydrophobicContact CD2-CE2 3.72Å; L207-F209 HydrophobicContact CD2-CZ 3.8Å; L207-F209 HydrophobicContact CG-CE2 4.34Å; L207-F209 PolarHBondContact O-N 2.79Å |
| 208 | D | 44.8 | Very low | 40.1 | Very low | 168 Ų | 168 | 133.5 Ų | 133.5 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | | | trans | -64.4 | 126.5 | 164.8 | -66 | -56.6 | 0 | 0 | 0 | 109.1 | | |
| 209 | F | 39 | Very low | 40 | Very low | 168 Ų | 168 | 135 Ų | 135 | 74% | 0.737 | 79% | 0.791 | S | S | * | * | | | trans | -128.1 | 136.7 | 160.7 | -73.5 | -69.4 | 0 | 0 | 0 | 108.5 | L207 | L207-F209 HydrophobicContact CB-CD2 4.08Å; L207-F209 HydrophobicContact CB-CE2 3.64Å; L207-F209 HydrophobicContact CB-CZ 4.38Å; L207-F209 HydrophobicContact CD2-CE2 3.72Å; L207-F209 HydrophobicContact CD2-CZ 3.8Å; L207-F209 HydrophobicContact CG-CE2 4.34Å; L207-F209 PolarHBondContact O-N 2.79Å |
| 210 | P | 39.1 | Very low | 40 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | | | trans | -75 | 148.3 | -159.2 | 29 | -36.6 | 0 | 0 | 0 | 113.6 | P212 | P210-P212 WeakPolarHBondContact O-CD 3.23Š|
| 211 | D | 36.7 | Very low | 40.1 | Very low | 152 Ų | 152 | 131.2 Ų | 131.2 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | | | trans | -53.3 | 120.4 | 172.6 | -68.3 | -60.2 | 0 | 0 | 0 | 111.9 | Q213 | D211-Q213 PolarHBondContact O-N 3.39Š|
| 212 | P | 39.1 | Very low | 40.8 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | | | trans | -71.3 | 100 | 166 | 29.2 | -31.5 | 0 | 0 | 0 | 108.6 | P210 G214 | P210-P212 WeakPolarHBondContact O-CD 3.23Å; P212-G214 PolarHBondContact O-N 3.34Å |
| 213 | Q | 42.3 | Very low | 41 | Very low | 185 Ų | 185 | 140.8 Ų | 140.8 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | | | trans | -56.2 | 102.1 | 179.1 | -71.2 | -174.4 | -8.5 | 0 | 0 | 111.8 | D211 | D211-Q213 PolarHBondContact O-N 3.39Š|
| 214 | G | 34.8 | Very low | 41 | Very low | 67 Ų | 67 | 142.9 Ų | 142.9 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 124.4 | 167 | 0 | 0 | 0 | 0 | 0 | 110.1 | P212 S216 | P212-G214 PolarHBondContact O-N 3.34Å; G214-S216 PolarHBondContact O-N 2.91Å |
| 215 | P | 38.1 | Very low | 41 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 128.7 | -177.9 | 25.4 | -33.2 | 0 | 0 | 0 | 111.4 | I217 | P215-I217 PolarHBondContact O-N 2.92Š|
| 216 | S | 41.3 | Very low | 41 | Very low | 99 Ų | 99 | 146.5 Ų | 146.5 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 133.1 | -176.8 | -178.4 | 0 | 0 | 0 | 0 | 113.1 | G214 F218 | G214-S216 PolarHBondContact O-N 2.91Å; S216-F218 PolarHBondContact O-N 3.11Å |
| 217 | I | 43.2 | Very low | 40.9 | Very low | 160 Ų | 160 | 145.1 Ų | 145.1 | 82% | 0.821 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -80.1 | 34.4 | -178 | -36.8 | -178.7 | 0 | 0 | 0 | 112.1 | P215 | P215-I217 PolarHBondContact O-N 2.92Š|
| 218 | F | 47.5 | Very low | 41.1 | Very low | 176 Ų | 176 | 145 Ų | 145 | 77% | 0.772 | 79% | 0.788 | S | S | * | * | | | trans | -143.1 | 111.2 | 175.2 | -67.9 | -79.5 | 0 | 0 | 0 | 109.9 | S216 | S216-F218 PolarHBondContact O-N 3.11Š|
| 219 | Q | 39.3 | Very low | 41.2 | Very low | 178 Ų | 178 | 143 Ų | 143 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | 158.5 | 50.8 | 152.4 | -84.2 | -78.6 | 31.1 | 0 | 0 | 113.8 | | |
| 220 | I | 39 | Very low | 41.3 | Very low | 163 Ų | 163 | 140.4 Ų | 140.4 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | | | trans | -130.2 | 77.4 | 149.1 | -54.1 | 83.9 | 0 | 0 | 0 | 109.3 | | |
| 221 | A | 44.1 | Very low | 41.5 | Very low | 84 Ų | 84 | 142.1 Ų | 142.1 | 69% | 0.694 | 78% | 0.78 | S | S | * | * | | | trans | -81.3 | 149.1 | 150.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 222 | R | 48.7 | Very low | 42 | Very low | 234 Ų | 234 | 142.5 Ų | 142.5 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | | | trans | 78.9 | 74.4 | 178.1 | -50.3 | 173.6 | 175 | 172.4 | -1.3 | 117.3 | | |
| 223 | L | 41.7 | Very low | 42.3 | Very low | 161 Ų | 161 | 144 Ų | 144 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | | | trans | -157.7 | 66.6 | 135.2 | -115.1 | 161.2 | 0 | 0 | 0 | 111.6 | S225 | L223-S225 PolarHBondContact O-N 3Š|
| 224 | I | 42.6 | Very low | 42.5 | Very low | 161 Ų | 161 | 144.2 Ų | 144.2 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | | | trans | -85.4 | 101.3 | 174.8 | -54.4 | 175.8 | 0 | 0 | 0 | 108.8 | R226 | I224-R226 PolarHBondContact O-N 2.67Š|
| 225 | S | 36.8 | Very low | 43.1 | Very low | 106 Ų | 106 | 146.1 Ų | 146.1 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | | | trans | -61.1 | 114.5 | 167.8 | -61.7 | 0 | 0 | 0 | 0 | 109.8 | L223 G227 | L223-S225 PolarHBondContact O-N 3Å; S225-G227 PolarHBondContact O-N 3.42Å |
| 226 | R | 38.9 | Very low | 43.6 | Very low | 241 Ų | 241 | 145.5 Ų | 145.5 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | | | trans | -69.6 | 94.8 | 173.8 | -91.9 | -174.7 | 164.7 | -171.6 | -5.2 | 110.4 | I224 | I224-R226 PolarHBondContact O-N 2.67Š|
| 227 | G | 46 | Very low | 44.1 | Very low | 50 Ų | 50 | 148.5 Ų | 148.5 | 52% | 0.515 | 78% | 0.783 | S | S | . | * | P | Polyproline II helix | trans | -61.7 | 165 | 156.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | S225 V229 | S225-G227 PolarHBondContact O-N 3.42Å; G227-V229 PolarHBondContact O-N 3.43Å |
| 228 | P | 41.2 | Very low | 44 | Very low | 131 Ų | 131 | 149.6 Ų | 149.6 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 135.2 | 177.5 | 26 | -34 | 0 | 0 | 0 | 110.9 | | |
| 229 | V | 45.3 | Very low | 43.6 | Very low | 126 Ų | 126 | 147.9 Ų | 147.9 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 126.5 | 178.9 | 178.1 | 0 | 0 | 0 | 0 | 109.2 | G227 Q231 | G227-V229 PolarHBondContact O-N 3.43Å; V229-Q231 PolarHBondContact O-N 2.93Å |
| 230 | P | 42.3 | Very low | 44.3 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 123.5 | 173.4 | 27 | -33.1 | 0 | 0 | 0 | 109.4 | N232 | P230-N232 PolarHBondContact O-N 2.93Š|
| 231 | Q | 43.5 | Very low | 44.5 | Very low | 150 Ų | 150 | 143 Ų | 143 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 126.4 | 167.3 | -77.4 | -166.7 | -16.4 | 0 | 0 | 108.6 | V229 K233 | V229-Q231 PolarHBondContact O-N 2.93Å; Q231-K233 PolarHBondContact O-N 3.01Å; Q231-K233 VanDerWaalsContact OE1-NZ 3.08Å |
| 232 | N | 46.2 | Very low | 44.6 | Very low | 160 Ų | 160 | 148.9 Ų | 148.9 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | | | trans | -65.5 | 102.5 | 169.4 | -174.8 | -9.2 | 0 | 0 | 0 | 109 | P230 | P230-N232 PolarHBondContact O-N 2.93Š|
| 233 | K | 45.8 | Very low | 44.2 | Very low | 157 Ų | 157 | 148.1 Ų | 148.1 | 68% | 0.683 | 79% | 0.786 | S | S | * | * | | | trans | -132 | 136.2 | 167.9 | -70.4 | -177.7 | 176.3 | 169.4 | 0 | 106.8 | Q231 S235 | Q231-K233 PolarHBondContact O-N 3.01Å; Q231-K233 VanDerWaalsContact OE1-NZ 3.08Å; K233-S235 PolarHBondContact O-N 3.07Å |
| 234 | Q | 47.1 | Very low | 44.5 | Very low | 190 Ų | 190 | 147.2 Ų | 147.2 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 130.2 | -176.7 | -69.7 | 168.6 | -37.7 | 0 | 0 | 110.4 | | |
| 235 | S | 46.3 | Very low | 44.5 | Very low | 106 Ų | 106 | 144.8 Ų | 144.8 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 124.7 | 173.9 | 47.4 | 0 | 0 | 0 | 0 | 109.8 | K233 | K233-S235 PolarHBondContact O-N 3.07Š|
| 236 | P | 48.3 | Very low | 44.6 | Very low | 107 Ų | 107 | 148.4 Ų | 148.4 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -64 | 139 | 176.9 | 27.1 | -33.8 | 0 | 0 | 0 | 110.1 | Y238 | P236-Y238 PolarHBondContact O-N 2.98Š|
| 237 | L | 52.7 | Low | 44.6 | Very low | 163 Ų | 163 | 140.4 Ų | 140.4 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -71 | 8.5 | -169.1 | -153 | 71.5 | 0 | 0 | 0 | 114.9 | | |
| 238 | Y | 40.2 | Very low | 44.3 | Very low | 183 Ų | 183 | 142.4 Ų | 142.4 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -142.7 | 123 | 179.7 | -77.8 | -83.5 | 0 | 0 | 0 | 111.3 | P236 G240 | P236-Y238 PolarHBondContact O-N 2.98Å; Y238-G240 PolarHBondContact O-N 3Å |
| 239 | P | 40.8 | Very low | 44 | Very low | 140 Ų | 140 | 143.3 Ų | 143.3 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 119.9 | 171.2 | 30.5 | -31.9 | 0 | 0 | 0 | 110.4 | | |
| 240 | G | 52.1 | Low | 43.9 | Very low | 62 Ų | 62 | 145.8 Ų | 145.8 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 147.6 | -22.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116 | Y238 F242 | Y238-G240 PolarHBondContact O-N 3Å; G240-F242 PolarHBondContact O-N 2.87Å |
| 241 | M | 44.8 | Very low | 44 | Very low | 177 Ų | 177 | 147.1 Ų | 147.1 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | | | trans | -89.3 | 90.9 | -176.6 | -69.8 | -68.9 | -77.8 | 0 | 0 | 112.3 | Y243 | M241-Y243 PolarHBondContact O-N 3.17Š|
| 242 | F | 46 | Very low | 43.6 | Very low | 206 Ų | 206 | 147.8 Ų | 147.8 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | | | trans | -79.5 | 103.9 | 171.3 | -69.2 | -82.3 | 0 | 0 | 0 | 111.2 | G240 M244 | G240-F242 PolarHBondContact O-N 2.87Å; F242-M244 PolarHBondContact O-N 2.91Å |
| 243 | Y | 40.8 | Very low | 42.9 | Very low | 218 Ų | 218 | 145 Ų | 145 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | | | trans | -82.6 | 112.6 | 173.6 | -159.2 | -90.4 | 0 | 0 | 0 | 110.3 | M241 P245 | M241-Y243 PolarHBondContact O-N 3.17Å; Y243-P245 VanDerWaalsContact O-CD 3.32Å; Y243-P245 WeakPolarHBondContact O-CD 3.46Å |
| 244 | M | 47.5 | Very low | 42.6 | Very low | 143 Ų | 143 | 143.4 Ų | 143.4 | 70% | 0.704 | 80% | 0.795 | S | S | * | * | | | trans | -88.1 | 112.2 | 177.8 | -167.3 | -170.1 | -58.6 | 0 | 0 | 110.2 | F242 F246 | F242-M244 PolarHBondContact O-N 2.91Å; M244-F246 PolarHBondContact O-N 2.82Å; M244-F246 VanDerWaalsContact O-N 3.11Å; M244-F246 HydrophobicContact SD-CE2 3.94Å; M244-F246 HydrophobicContact SD-CZ 4.26Å |
| 245 | P | 42 | Very low | 42.1 | Very low | 109 Ų | 109 | 138.8 Ų | 138.8 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | | | trans | -78.4 | 98.7 | 179 | 31.7 | -33.2 | 0 | 0 | 0 | 110.2 | Y243 G247 | Y243-P245 VanDerWaalsContact O-CD 3.32Å; Y243-P245 WeakPolarHBondContact O-CD 3.46Å; P245-G247 PolarHBondContact O-N 2.93Å |
| 246 | F | 38.8 | Very low | 41.8 | Very low | 183 Ų | 183 | 145 Ų | 145 | 80% | 0.803 | 80% | 0.797 | S | S | * | * | | | trans | -62.2 | 122.4 | 165.9 | -86.4 | -91.8 | 0 | 0 | 0 | 109.6 | M244 A248 | M244-F246 PolarHBondContact O-N 2.82Å; M244-F246 VanDerWaalsContact O-N 3.11Å; M244-F246 HydrophobicContact SD-CE2 3.94Å; M244-F246 HydrophobicContact SD-CZ 4.26Å; F246-A248 PolarHBondContact O-N 2.95Å |
| 247 | G | 40 | Very low | 41.4 | Very low | 73 Ų | 73 | 148.2 Ų | 148.2 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | | | trans | -64.2 | 126.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | P245 N249 | P245-G247 PolarHBondContact O-N 2.93Å; G247-N249 PolarHBondContact O-N 2.86Å |
| 248 | A | 38.4 | Very low | 40.7 | Very low | 92 Ų | 92 | 143.6 Ų | 143.6 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | | | trans | -68 | 93.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | F246 Q250 | F246-A248 PolarHBondContact O-N 2.95Å; A248-Q250 PolarHBondContact O-N 2.88Å |
| 249 | N | 34.5 | Very low | 40.9 | Very low | 150 Ų | 150 | 143.3 Ų | 143.3 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | | | trans | -73 | 109.9 | 171.3 | -164.1 | 7.9 | 0 | 0 | 0 | 108.5 | G247 L251 | G247-N249 PolarHBondContact O-N 2.86Å; N249-L251 PolarHBondContact O-N 2.95Å |
| 250 | Q | 43.7 | Very low | 40.7 | Very low | 177 Ų | 177 | 143 Ų | 143 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | | | trans | -74.9 | 24.6 | -162.9 | -87.9 | -91.3 | 78.2 | 0 | 0 | 115.5 | A248 | A248-Q250 PolarHBondContact O-N 2.88Š|
| 251 | L | 44.4 | Very low | 40.1 | Very low | 144 Ų | 144 | 144.6 Ų | 144.6 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -140.3 | 135.3 | -179.8 | -69.2 | 174.2 | 0 | 0 | 0 | 111.8 | N249 | N249-L251 PolarHBondContact O-N 2.95Š|
| 252 | N | 34.8 | Very low | 40.3 | Very low | 164 Ų | 164 | 142.5 Ų | 142.5 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | | | trans | 59.3 | 94.9 | -179.4 | -73.2 | -8.1 | 0 | 0 | 0 | 117 | | |
| 253 | A | 32.9 | Very low | 40.6 | Very low | 100 Ų | 100 | 141.5 Ų | 141.5 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 132.6 | 156.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 254 | P | 38.9 | Very low | 41.2 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 139.9 | 147.8 | -9.8 | 28.3 | 0 | 0 | 0 | 109.5 | | |
| 255 | A | 36.7 | Very low | 40.9 | Very low | 93 Ų | 93 | 139.7 Ų | 139.7 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 153 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 256 | R | 39.9 | Very low | 40.8 | Very low | 236 Ų | 236 | 139.4 Ų | 139.4 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | | | trans | 117.6 | 121.9 | 160 | -68.7 | 174.4 | 169.7 | -112.8 | -4.2 | 115.8 | | |
| 257 | L | 40.6 | Very low | 41.4 | Very low | 175 Ų | 175 | 134.8 Ų | 134.8 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | | | trans | 37.3 | 136.9 | 138.2 | -88.9 | 70.6 | 0 | 0 | 0 | 120.7 | | |
| 258 | G | 36.3 | Very low | 41.4 | Very low | 65 Ų | 65 | 134.6 Ų | 134.6 | 67% | 0.67 | 81% | 0.806 | S | S | * | * | | | trans | 146.5 | 127 | 148.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | M260 | G258-M260 PolarHBondContact O-N 3.44Š|
| 259 | I | 45 | Very low | 41.9 | Very low | 177 Ų | 177 | 142.4 Ų | 142.4 | 91% | 0.908 | 82% | 0.816 | S | S | * | * | | | trans | -84.4 | 99.4 | 158.2 | -54.2 | 172.8 | 0 | 0 | 0 | 105 | | |
| 260 | M | 37.1 | Very low | 42 | Very low | 134 Ų | 134 | 138.6 Ų | 138.6 | 66% | 0.66 | 81% | 0.813 | S | S | * | * | | | trans | -80.9 | 119 | 179.7 | -64.6 | -176.9 | 78.4 | 0 | 0 | 110 | G258 E264 | G258-M260 PolarHBondContact O-N 3.44Å; M260-E264 HydrophobicContact CE-CB 4.21Å; M260-E264 HydrophobicContact CE-CG 4.28Å; M260-E264 WeakPolarHBondContact CE-OE2 3.47Å |
| 261 | S | 39.6 | Very low | 41.9 | Very low | 96 Ų | 96 | 137.3 Ų | 137.3 | 67% | 0.671 | 81% | 0.811 | S | S | * | * | | | trans | -72 | 158.3 | 171 | -67.6 | 0 | 0 | 0 | 0 | 111.3 | E263 | S261-E263 PolarHBondContact O-N 3.34Š|
| 262 | S | 48.6 | Very low | 41.8 | Very low | 133 Ų | 133 | 136.4 Ų | 136.4 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 25.7 | -175.1 | 58.9 | 0 | 0 | 0 | 0 | 115.9 | | |
| 263 | E | 52.3 | Low | 42.1 | Very low | 185 Ų | 185 | 137 Ų | 137 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | -17.4 | -175.3 | -163.9 | 155.6 | 66.8 | 0 | 0 | 112.6 | S261 M265 | S261-E263 PolarHBondContact O-N 3.34Å; E263-M265 VanDerWaalsContact C-N 3.3Å; E263-M265 PolarHBondContact O-N 3.48Å; E263-M265 VanDerWaalsContact O-N 3.11Å |
| 264 | E | 52.5 | Low | 42.5 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 69% | 0.692 | 81% | 0.811 | S | S | * | * | | | trans | -88.2 | 60.7 | 175.7 | -158.9 | -173.7 | 146.9 | 0 | 0 | 112.3 | M260 | M260-E264 HydrophobicContact CE-CB 4.21Å; M260-E264 HydrophobicContact CE-CG 4.28Å; M260-E264 WeakPolarHBondContact CE-OE2 3.47Å |
| 265 | M | 41.6 | Very low | 42.5 | Very low | 174 Ų | 174 | 142.5 Ų | 142.5 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | | | trans | -122.5 | 96.1 | 166.6 | -85 | -74.2 | 176.3 | 0 | 0 | 109.1 | E263 G267 | E263-M265 VanDerWaalsContact C-N 3.3Å; E263-M265 PolarHBondContact O-N 3.48Å; E263-M265 VanDerWaalsContact O-N 3.11Å; M265-G267 PolarHBondContact O-N 2.88Å |
| 266 | A | 41 | Very low | 42.5 | Very low | 103 Ų | 103 | 141.2 Ų | 141.2 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | | | trans | -56.6 | 132.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | G268 | A266-G268 PolarHBondContact O-N 3.42Š|
| 267 | G | 51 | Low | 42.4 | Very low | 86 Ų | 86 | 134.3 Ų | 134.3 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | | | trans | -67.4 | 79.2 | -161.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | M265 | M265-G267 PolarHBondContact O-N 2.88Š|
| 268 | G | 39.1 | Very low | 42.1 | Very low | 69 Ų | 69 | 133.5 Ų | 133.5 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | | | trans | -72.9 | 120.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | A266 G270 | A266-G268 PolarHBondContact O-N 3.42Å; G268-G270 PolarHBondContact O-N 3.14Å |
| 269 | R | 49 | Very low | 42 | Very low | 257 Ų | 257 | 139.4 Ų | 139.4 | 97% | 0.97 | 81% | 0.81 | S | S | * | * | | | trans | -68.5 | 94.1 | 172.2 | -77.7 | -177.1 | 169.8 | -131.9 | 1.6 | 110.5 | | |
| 270 | G | 37 | Very low | 41.8 | Very low | 70 Ų | 70 | 137.1 Ų | 137.1 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | | | trans | -86.7 | 139.2 | 162 | 0 | 0 | 0 | 0 | 0 | 111 | G268 | G268-G270 PolarHBondContact O-N 3.14Š|
| 271 | D | 40.8 | Very low | 42 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | | | trans | -63.2 | 153.2 | 173.7 | -67 | -65.2 | 0 | 0 | 0 | 111.9 | M273 | D271-M273 PolarHBondContact O-N 3.2Š|
| 272 | P | 43.1 | Very low | 41.9 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | | | trans | -65.1 | 109 | -175.9 | 25.6 | -34.7 | 0 | 0 | 0 | 112 | A274 | P272-A274 PolarHBondContact O-N 3.14Š|
| 273 | M | 41.6 | Very low | 41.3 | Very low | 178 Ų | 178 | 136.9 Ų | 136.9 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | | | trans | -62.6 | 98 | 167.9 | -83.3 | -72.5 | -170.6 | 0 | 0 | 110.3 | D271 | D271-M273 PolarHBondContact O-N 3.2Š|
| 274 | A | 39.8 | Very low | 40.7 | Very low | 93 Ų | 93 | 131.6 Ų | 131.6 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | | | trans | -65.5 | 132.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | P272 G276 | P272-A274 PolarHBondContact O-N 3.14Å; A274-G276 VanDerWaalsContact C-N 3.34Å; A274-G276 PolarHBondContact O-N 2.97Å |
| 275 | Y | 39.5 | Very low | 39.8 | Very low | 246 Ų | 246 | 133.8 Ų | 133.8 | 97% | 0.965 | 82% | 0.82 | S | S | * | * | | | trans | -69.3 | 86.2 | 177 | -87.8 | -102.2 | 0 | 0 | 0 | 111.1 | | |
| 276 | G | 36.2 | Very low | 39.6 | Very low | 67 Ų | 67 | 137.1 Ų | 137.1 | 69% | 0.691 | 82% | 0.823 | S | S | * | * | | | trans | -75.7 | 123.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A274 | A274-G276 VanDerWaalsContact C-N 3.34Å; A274-G276 PolarHBondContact O-N 2.97Å |
| 277 | A | 38.2 | Very low | 39.3 | Very low | 90 Ų | 90 | 138.6 Ų | 138.6 | 74% | 0.744 | 83% | 0.827 | S | S | * | * | | | trans | -66.7 | 139.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F279 | A277-F279 PolarHBondContact O-N 3.15Å; A277-F279 VanDerWaalsContact O-N 3.17Å |
| 278 | I | 35.8 | Very low | 38.8 | Very low | 158 Ų | 158 | 139.7 Ų | 139.7 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | | | trans | -82.7 | 94.6 | 179.8 | -58.3 | 170.1 | 0 | 0 | 0 | 109.8 | | |
| 279 | F | 33.5 | Very low | 38.8 | Very low | 189 Ų | 189 | 144.9 Ų | 144.9 | 83% | 0.829 | 83% | 0.832 | S | S | * | * | | | trans | -129.9 | 108.1 | 162 | -83.3 | -77.2 | 0 | 0 | 0 | 109.9 | A277 G281 | A277-F279 PolarHBondContact O-N 3.15Å; A277-F279 VanDerWaalsContact O-N 3.17Å; F279-G281 PolarHBondContact O-N 2.93Å |
| 280 | P | 40.7 | Very low | 38 | Very low | 130 Ų | 130 | 136.5 Ų | 136.5 | 84% | 0.844 | 83% | 0.825 | S | S | * | * | | | trans | -84.5 | 99.1 | -176.8 | 32.1 | -32.8 | 0 | 0 | 0 | 111.5 | | |
| 281 | G | 40.2 | Very low | 37.6 | Very low | 62 Ų | 62 | 137 Ų | 137 | 64% | 0.639 | 83% | 0.831 | S | S | * | * | | | trans | 146.5 | 90.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | F279 | F279-G281 PolarHBondContact O-N 2.93Š|
| 282 | F | 37.9 | Very low | 37.3 | Very low | 221 Ų | 221 | 137.7 Ų | 137.7 | 97% | 0.969 | 83% | 0.831 | S | S | * | * | | | | -158.9 | 139.1 | 126.6 | -111.6 | -75.5 | 0 | 0 | 0 | 108.8 | | |
| 283 | G | 35.7 | Very low | 37.4 | Very low | 75 Ų | 75 | 137.1 Ų | 137.1 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | | | trans | -96.8 | 140.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 284 | G | 41.1 | Very low | 37.3 | Very low | 73 Ų | 73 | 137.1 Ų | 137.1 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | | | trans | 87.8 | 89.4 | 149.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 285 | M | 33.6 | Very low | 37.1 | Very low | 195 Ų | 195 | 142.1 Ų | 142.1 | 96% | 0.961 | 83% | 0.83 | S | S | * | * | | | trans | -156.2 | 123.7 | 132 | -104.8 | 162.1 | -157.9 | 0 | 0 | 109 | | |
| 286 | R | 37 | Very low | 37.4 | Very low | 244 Ų | 244 | 137 Ų | 137 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | | | trans | -113.2 | 109.9 | 179.2 | -71.8 | -179.7 | 178.5 | -113.6 | 3.3 | 109.4 | S288 | R286-S288 PolarHBondContact O-N 3.48Š|
| 287 | S | 35.3 | Very low | 37.7 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 94% | 0.937 | 83% | 0.827 | S | S | * | * | | | trans | -86.1 | 92.8 | 167.1 | -63.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 288 | S | 40.5 | Very low | 37.8 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 76% | 0.755 | 84% | 0.835 | S | S | * | * | | | trans | -83.4 | 129.2 | 172.7 | 55.8 | 0 | 0 | 0 | 0 | 111.1 | R286 | R286-S288 PolarHBondContact O-N 3.48Š|
| 289 | L | 39.2 | Very low | 38.2 | Very low | 178 Ų | 178 | 138.5 Ų | 138.5 | 93% | 0.932 | 83% | 0.834 | S | S | * | * | | | trans | -137.7 | 131.5 | 166.5 | -135.7 | 88.4 | 0 | 0 | 0 | 110.8 | | |
| 290 | G | 30.4 | Very low | 38.4 | Very low | 81 Ų | 81 | 132.3 Ų | 132.3 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | | | trans | 50.5 | 90.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 291 | G | 30.5 | Very low | 38.5 | Very low | 82 Ų | 82 | 133.6 Ų | 133.6 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | | | trans | -94.2 | 143.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 292 | M | 34 | Very low | 38.5 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 80% | 0.803 | 83% | 0.834 | S | S | * | * | | | trans | -146.9 | 125.6 | 165 | -172.9 | 68.1 | 109 | 0 | 0 | 108.9 | | |
| 293 | P | 44.1 | Very low | 38.7 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 73% | 0.734 | 82% | 0.822 | S | S | * | * | | | trans | -80.3 | 145.1 | -179.1 | 31.9 | -34.1 | 0 | 0 | 0 | 111.7 | | |
| 294 | H | 40 | Very low | 39.1 | Very low | 177 Ų | 177 | 139 Ų | 139 | 82% | 0.819 | 83% | 0.825 | S | S | * | * | | | trans | -120 | 133.9 | 164.6 | -81.6 | 15.9 | 0 | 0 | 0 | 109.6 | | |
| 295 | K | 34.9 | Very low | 39.2 | Very low | 198 Ų | 198 | 143.8 Ų | 143.8 | 86% | 0.861 | 83% | 0.828 | S | S | * | * | | | trans | -88.3 | 135.1 | -179.3 | -66.2 | -176.4 | 177.7 | -179.1 | 0 | 110.1 | A297 | K295-A297 PolarHBondContact O-N 3.12Š|
| 296 | P | 46.9 | Very low | 39.4 | Very low | 138 Ų | 138 | 144 Ų | 144 | 90% | 0.896 | 82% | 0.824 | S | S | * | * | | | trans | -81.5 | 103.2 | 175 | 31.6 | -32 | 0 | 0 | 0 | 110.5 | | |
| 297 | A | 43.1 | Very low | 39.1 | Very low | 86 Ų | 86 | 139.9 Ų | 139.9 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | | | trans | -157.3 | 56.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | K295 | K295-A297 PolarHBondContact O-N 3.12Š|
| 298 | M | 39.2 | Very low | 39.1 | Very low | 183 Ų | 183 | 138.2 Ų | 138.2 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | | | trans | -160.6 | 127.8 | 143 | -152.8 | 66.3 | 77.7 | 0 | 0 | 109.9 | | |
| 299 | G | 43.8 | Very low | 39.7 | Very low | 78 Ų | 78 | 138.6 Ų | 138.6 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | trans | -87.2 | 140.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 300 | G | 38.9 | Very low | 39.1 | Very low | 60 Ų | 60 | 136.5 Ų | 136.5 | 62% | 0.619 | 80% | 0.803 | S | S | * | * | | | trans | -121 | 136.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 301 | D | 42.2 | Very low | 39.2 | Very low | 157 Ų | 157 | 136.5 Ų | 136.5 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | | | trans | -64.3 | 147.3 | 174.4 | -101.8 | -54.1 | 0 | 0 | 0 | 111.9 | | |
| 302 | F | 41 | Very low | 39.2 | Very low | 194 Ų | 194 | 137.9 Ų | 137.9 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | | | trans | -131 | 79.2 | 170.9 | -73.5 | -75.4 | 0 | 0 | 0 | 110 | L304 | F302-L304 PolarHBondContact O-N 2.88Š|
| 303 | T | 40.6 | Very low | 39.2 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | | | trans | -70.6 | 116.9 | 165.7 | 44.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 304 | L | 45.5 | Very low | 38.7 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | | | trans | -82.4 | 111.5 | 172.8 | -90.8 | 162.8 | 0 | 0 | 0 | 110 | F302 | F302-L304 PolarHBondContact O-N 2.88Š|
| 305 | E | 42.6 | Very low | 38.4 | Very low | 173 Ų | 173 | 135.7 Ų | 135.7 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | | | trans | -128.5 | 117.6 | 167.3 | 56.5 | -166.4 | 159.5 | 0 | 0 | 110.5 | | |
| 306 | F | 38.5 | Very low | 38.9 | Very low | 201 Ų | 201 | 132 Ų | 132 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | | | trans | -123.3 | 106.9 | 177.3 | -108.3 | -87.8 | 0 | 0 | 0 | 107.2 | | |
| 307 | D | 30.6 | Very low | 38.1 | Very low | 156 Ų | 156 | 133.1 Ų | 133.1 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | | | trans | -161.1 | 165.8 | 142.5 | -144 | -10.8 | 0 | 0 | 0 | 112.7 | | |
| 308 | S | 35.9 | Very low | 37.8 | Very low | 100 Ų | 100 | 137.7 Ų | 137.7 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | | | trans | -166.5 | 147.7 | 172.1 | -78.1 | 0 | 0 | 0 | 0 | 107.5 | | |
| 309 | P | 51.2 | Low | 37.5 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | | | cis | -151.5 | -153.3 | 42.7 | 32.4 | -5.6 | 0 | 0 | 0 | 115.1 | | |
| 310 | V | 28.1 | Very low | 37.1 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | trans | 98.4 | 148.2 | 156.9 | -172.8 | 0 | 0 | 0 | 0 | 118.2 | | |
| 311 | A | 32.2 | Very low | 36.7 | Very low | 81 Ų | 81 | 139 Ų | 139 | 67% | 0.669 | 80% | 0.802 | S | S | * | * | | | trans | 74.1 | 74.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 312 | A | 30.8 | Very low | 36.1 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | | | trans | -92.5 | 92.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 313 | T | 33.3 | Very low | 35.7 | Very low | 129 Ų | 129 | 131 Ų | 131 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | | | trans | -101 | 91.1 | -177.2 | 52.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 314 | K | 34.8 | Very low | 35.4 | Very low | 203 Ų | 203 | 134.6 Ų | 134.6 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | | | trans | 42.9 | 77.8 | 140.4 | -161 | -173.3 | 179.3 | -179.8 | 0 | 120.9 | | |
| 315 | G | 32.2 | Very low | 34.6 | Very low | 76 Ų | 76 | 130.2 Ų | 130.2 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | | | trans | 54.8 | -157.3 | 145.3 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 316 | P | 45 | Very low | 34.2 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | | | cis | -135.9 | 170.4 | -12.9 | 42.6 | -27.5 | 0 | 0 | 0 | 115.6 | | |
| 317 | E | 31 | Very low | 34.6 | Very low | 161 Ų | 161 | 123.4 Ų | 123.4 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | | | trans | 151.3 | 156.8 | 148.6 | -87.2 | -148.1 | 135.9 | 0 | 0 | 110.4 | | |
| 318 | K | 37 | Very low | 34.8 | Very low | 182 Ų | 182 | 123.6 Ų | 123.6 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | | | cis | -176.2 | 155 | -27.2 | 177.9 | 169.3 | 168.4 | -176.4 | 0 | 110.4 | | |
| 319 | G | 32.1 | Very low | 35 | Very low | 66 Ų | 66 | 123.8 Ų | 123.8 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | | | trans | 154.1 | 95.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 320 | E | 36.1 | Very low | 34 | Very low | 204 Ų | 204 | 126 Ų | 126 | 95% | 0.953 | 80% | 0.795 | S | S | * | * | | | | 100.8 | 137.4 | 63.8 | -179.8 | 168 | -150.9 | 0 | 0 | 110.8 | | |
| 321 | G | 30.4 | Very low | 33.9 | Very low | 78 Ų | 78 | 124 Ų | 124 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | 101.5 | 129.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 322 | G | 29.4 | Very low | 34.1 | Very low | 83 Ų | 83 | 127.2 Ų | 127.2 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | | | trans | -167.7 | 165.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 323 | A | 32.7 | Very low | 34.6 | Very low | 99 Ų | 99 | 126.9 Ų | 126.9 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -155.4 | 119.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 324 | Q | 35.2 | Very low | 34.5 | Very low | 192 Ų | 192 | 127.8 Ų | 127.8 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | | | trans | 43.5 | 108.2 | 139.6 | -70.6 | -76.4 | -37.7 | 0 | 0 | 121.9 | | |
| 325 | G | 27.6 | Very low | 34.4 | Very low | 70 Ų | 70 | 125.6 Ų | 125.6 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | | | trans | 79.9 | 155.5 | 138.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 326 | S | 35.1 | Very low | 35.1 | Very low | 120 Ų | 120 | 126.6 Ų | 126.6 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | | | cis | -158 | 167 | -11.6 | -99.8 | 0 | 0 | 0 | 0 | 110 | | |
| 327 | P | 46.8 | Very low | 34.3 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | | | trans | -122.9 | -178.2 | -141.6 | 43.1 | -34.4 | 0 | 0 | 0 | 118.2 | | |
| 328 | M | 33.3 | Very low | 34.3 | Very low | 159 Ų | 159 | 129.5 Ų | 129.5 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | | | trans | 80.2 | 169.1 | 148.9 | -133 | 147 | 158 | 0 | 0 | 116.4 | | |
| 329 | P | 41.4 | Very low | 34.7 | Very low | 105 Ų | 105 | 125.9 Ų | 125.9 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | | | cis | -121.6 | 175.5 | -11.6 | 0.7 | 25.7 | 0 | 0 | 0 | 117.3 | | |
| 330 | E | 29.7 | Very low | 34.5 | Very low | 161 Ų | 161 | 126.5 Ų | 126.5 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | trans | 13.2 | 159.2 | 131.3 | -73 | 157.6 | 97.8 | 0 | 0 | 122.3 | | |
| 331 | A | 26.8 | Very low | 34.1 | Very low | 93 Ų | 93 | 126 Ų | 126 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | cis | -160 | 177.4 | 3.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 332 | N | 36.1 | Very low | 34 | Very low | 149 Ų | 149 | 130.3 Ų | 130.3 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | -138 | 131.3 | 167.3 | -179.7 | 72.4 | 0 | 0 | 0 | 111.4 | | |
| 333 | P | 40.8 | Very low | 34 | Very low | 102 Ų | 102 | 130.3 Ų | 130.3 | 66% | 0.662 | 77% | 0.77 | S | S | * | * | | | trans | -127.9 | 123.4 | 163.1 | 34.7 | -19.1 | 0 | 0 | 0 | 114 | | |
| 334 | D | 30.9 | Very low | 33.7 | Very low | 149 Ų | 149 | 134.3 Ų | 134.3 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | trans | 43.9 | 119.8 | 138.1 | -46.5 | -37.1 | 0 | 0 | 0 | 122.8 | | |
| 335 | D | 33.3 | Very low | 33.3 | Very low | 156 Ų | 156 | 132.6 Ų | 132.6 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | | | trans | 16.2 | 163.5 | 132.4 | -115.2 | 15.7 | 0 | 0 | 0 | 121.7 | | |
| 336 | P | 45.9 | Very low | 33.3 | Very low | 97 Ų | 97 | 136.9 Ų | 136.9 | 63% | 0.63 | 77% | 0.769 | S | S | * | * | | | cis | -145.3 | -157.4 | 12.6 | 29.1 | -0.7 | 0 | 0 | 0 | 116.1 | | |
| 337 | E | 28.7 | Very low | 33.2 | Very low | 190 Ų | 190 | 136.4 Ų | 136.4 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | | | trans | 106.4 | 142.4 | 148.1 | -56.4 | -160.5 | 140.9 | 0 | 0 | 122.5 | | |
| 338 | N | 32.1 | Very low | 32.1 | Very low | 153 Ų | 153 | 136.7 Ų | 136.7 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | -170.8 | 138.3 | 176.5 | 176.2 | 42.7 | 0 | 0 | 0 | 105.2 | | |
| 339 | P | 45.5 | Very low | 31.8 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 69% | 0.688 | 76% | 0.761 | S | S | * | * | | | cis | -142.8 | -167.2 | 28 | 42.4 | -21.7 | 0 | 0 | 0 | 116.9 | | |
| 340 | A | 27 | Very low | 31.2 | Very low | 79 Ų | 79 | 137.6 Ų | 137.6 | 65% | 0.653 | 77% | 0.771 | S | S | * | * | | | trans | 123.2 | 93.4 | 138.2 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 341 | F | 27.7 | Very low | 31 | Very low | 194 Ų | 194 | 135 Ų | 135 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | | | | 68.2 | 138.7 | 122.2 | -74.2 | -67.5 | 0 | 0 | 0 | 126 | | |
| 342 | L | 28.4 | Very low | 31 | Very low | 169 Ų | 169 | 133.9 Ų | 133.9 | 89% | 0.885 | 78% | 0.775 | S | S | * | * | | | trans | 72.9 | 144.9 | 159.9 | -64.3 | 173.1 | 0 | 0 | 0 | 118.3 | | |
| 343 | A | 29.2 | Very low | 30.6 | Very low | 83 Ų | 83 | 134.3 Ų | 134.3 | 69% | 0.686 | 78% | 0.776 | S | S | * | * | | | cis | -148.3 | 165.6 | -10.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 344 | E | 27 | Very low | 30.1 | Very low | 183 Ų | 183 | 136.9 Ų | 136.9 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | | | | 165.5 | 140.2 | 79.4 | 176.3 | 176.8 | -144.1 | 0 | 0 | 106.9 | | |
| 345 | L | 26.3 | Very low | 29.9 | Very low | 156 Ų | 156 | 134.6 Ų | 134.6 | 82% | 0.817 | 79% | 0.785 | S | S | * | * | | | cis | -149.4 | 149.2 | -17 | -149.7 | 77.1 | 0 | 0 | 0 | 110.1 | | |
| 346 | E | 27 | Very low | 30 | Very low | 160 Ų | 160 | 134.7 Ų | 134.7 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | | | trans | -74.3 | 175.9 | 166.3 | -89.9 | -77.2 | 133.1 | 0 | 0 | 111.1 | | |
| 347 | P | 34.2 | Very low | 29.6 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | | | cis | -148.6 | 174.8 | 31.9 | 31.2 | -4.2 | 0 | 0 | 0 | 120.3 | | |
| 348 | V | 23.7 | Very low | 29.5 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 71% | 0.709 | 78% | 0.783 | S | S | * | * | | | | 164.3 | 115.1 | 110.3 | 163.2 | 0 | 0 | 0 | 0 | 115 | | |
| 349 | A | 26.3 | Very low | 29.4 | Very low | 92 Ų | 92 | 132.6 Ų | 132.6 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | | | trans | 68.1 | 156.1 | 144.5 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 350 | H | 29.4 | Very low | 28.7 | Very low | 191 Ų | 191 | 134.6 Ų | 134.6 | 88% | 0.884 | 78% | 0.778 | S | S | * | * | | | trans | -120.3 | 172.5 | -172.6 | -56.7 | -79.2 | 0 | 0 | 0 | 113.3 | | |
| 351 | A | 25.8 | Very low | 29.3 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 88% | 0.884 | 78% | 0.783 | S | S | * | * | | | trans | 82.9 | 128.4 | 140.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 352 | G | 25.5 | Very low | 29.9 | Very low | 69 Ų | 69 | 133 Ų | 133 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | | 118.6 | 128.5 | 125.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 353 | L | 28.3 | Very low | 30 | Very low | 158 Ų | 158 | 129.8 Ų | 129.8 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | | | trans | 68.2 | 122.2 | 143.3 | -56 | 176.5 | 0 | 0 | 0 | 120.7 | | |
| 354 | L | 30.2 | Very low | 30.4 | Very low | 157 Ų | 157 | 133.1 Ų | 133.1 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | trans | 60.4 | 119.9 | 130.8 | -58.1 | 173.3 | 0 | 0 | 0 | 121.5 | | |
| 355 | A | 27.6 | Very low | 30.9 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | | | trans | 77.5 | 148.8 | 140.7 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 356 | L | 34.6 | Very low | 31.1 | Very low | 158 Ų | 158 | 134.1 Ų | 134.1 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | | | trans | -68.2 | 154.5 | 173.4 | -115.2 | 69.9 | 0 | 0 | 0 | 111.5 | | |
| 357 | P | 36.9 | Very low | 31.5 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | | | | -151.8 | 149.5 | 80.8 | 38.9 | -20 | 0 | 0 | 0 | 119 | | |
| 358 | K | 27.6 | Very low | 32.1 | Very low | 159 Ų | 159 | 131.9 Ų | 131.9 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | | | trans | 29.8 | 145.1 | 131.5 | -91 | 179 | 139.7 | -73.8 | 0 | 124.8 | | |
| 359 | D | 28.5 | Very low | 32.3 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 62% | 0.62 | 79% | 0.788 | S | S | * | * | | | trans | 78.8 | 94.5 | 140.8 | -54.9 | -12.3 | 0 | 0 | 0 | 122.3 | | |
| 360 | D | 31.8 | Very low | 32.5 | Very low | 147 Ų | 147 | 131.6 Ų | 131.6 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | | | | 66.8 | 129.6 | 115.1 | -106.8 | -20.1 | 0 | 0 | 0 | 126.5 | | |
| 361 | V | 39.9 | Very low | 32.6 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 75% | 0.745 | 79% | 0.788 | S | S | * | * | | | trans | 53.3 | 149.9 | 155.5 | -108.1 | 0 | 0 | 0 | 0 | 122 | | |
| 362 | P | 39.4 | Very low | 32.7 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | | | | -138.1 | -167.2 | 66.6 | 35.7 | -12.9 | 0 | 0 | 0 | 113.3 | | |
| 363 | S | 30.5 | Very low | 32.9 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | | | cis | -153.8 | -174 | 16.7 | -40.8 | 0 | 0 | 0 | 0 | 113 | | |
| 364 | L | 37.8 | Very low | 33.1 | Very low | 153 Ų | 153 | 138.3 Ų | 138.3 | 80% | 0.801 | 79% | 0.793 | S | S | * | * | | | trans | -117.7 | 173.8 | 169.5 | -111.1 | 79.9 | 0 | 0 | 0 | 112.7 | | |
| 365 | P | 37.4 | Very low | 33 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | | -123 | 155.6 | 128.3 | 35.9 | -31.9 | 0 | 0 | 0 | 115.8 | | |
| 366 | R | 31.2 | Very low | 33.5 | Very low | 233 Ų | 233 | 139.2 Ų | 139.2 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | | | trans | -70.4 | 150.5 | -176.4 | -84.1 | 169.9 | 150.3 | 93.1 | -2.4 | 113.6 | | |
| 367 | S | 34.2 | Very low | 33.1 | Very low | 100 Ų | 100 | 136.9 Ų | 136.9 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | | | | 68.2 | 155.3 | 60 | -35.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 368 | P | 47.2 | Very low | 33.1 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | | | cis | -143.3 | -174.9 | 10.2 | 44.7 | -25.9 | 0 | 0 | 0 | 118.3 | | |
| 369 | S | 29.1 | Very low | 33.1 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | | | trans | 87.5 | 139.7 | 153.3 | -154.9 | 0 | 0 | 0 | 0 | 121 | | |
| 370 | G | 29.1 | Very low | 33.9 | Very low | 74 Ų | 74 | 135.6 Ų | 135.6 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | | | trans | 138.7 | 126.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 371 | K | 31.3 | Very low | 33.8 | Very low | 204 Ų | 204 | 133.7 Ų | 133.7 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | | | trans | -102.5 | 155.5 | 174.6 | -82.1 | -171.2 | 177.1 | -176.7 | 0 | 112.1 | | |
| 372 | M | 28.1 | Very low | 33.3 | Very low | 177 Ų | 177 | 131.7 Ų | 131.7 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | | | trans | 64.4 | 106.3 | 157.7 | -69 | 167.3 | 63.2 | 0 | 0 | 119.7 | | |
| 373 | K | 31.3 | Very low | 32.9 | Very low | 216 Ų | 216 | 130.7 Ų | 130.7 | 94% | 0.939 | 81% | 0.807 | S | S | * | * | | | | -143.6 | 161.4 | 116.4 | -150 | 114.2 | -176.9 | -174.3 | 0 | 109.6 | | |
| 374 | G | 31.6 | Very low | 32.9 | Very low | 69 Ų | 69 | 133 Ų | 133 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | | | trans | -79.4 | 152.2 | -161.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 375 | L | 27.8 | Very low | 33.3 | Very low | 165 Ų | 165 | 130.1 Ų | 130.1 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | | | trans | -68.3 | 141.4 | 165.5 | -176.7 | 80.1 | 0 | 0 | 0 | 111.1 | | |
| 376 | P | 37.6 | Very low | 33 | Very low | 112 Ų | 112 | 131.5 Ų | 131.5 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | -125.9 | 107.7 | 163.6 | 34.7 | -19.8 | 0 | 0 | 0 | 113.5 | | |
| 377 | S | 28 | Very low | 33 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 59.6 | 141.6 | 162.6 | -104 | 0 | 0 | 0 | 0 | 118.9 | | |
| 378 | V | 35.8 | Very low | 33 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | | | cis | -130 | 141.3 | 8.2 | 178.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 379 | T | 28.4 | Very low | 32.9 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 80% | 0.798 | 81% | 0.806 | S | S | * | * | | | trans | -91.6 | 135.8 | -166.6 | -41.8 | 0 | 0 | 0 | 0 | 115 | | |
| 380 | P | 44.1 | Very low | 32.9 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | trans | -131.4 | 161.7 | 154.7 | 38.6 | -26.6 | 0 | 0 | 0 | 115.3 | | |
| 381 | A | 29.2 | Very low | 33 | Very low | 106 Ų | 106 | 136.2 Ų | 136.2 | 88% | 0.876 | 80% | 0.803 | S | S | * | * | | | trans | 81.6 | 120.6 | 157.5 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 382 | G | 30.7 | Very low | 33.2 | Very low | 81 Ų | 81 | 130.1 Ų | 130.1 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | | | trans | 94.6 | 146.8 | 150.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 383 | A | 30.4 | Very low | 33.5 | Very low | 96 Ų | 96 | 126.9 Ų | 126.9 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | | | cis | -167.2 | 140.6 | -17.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 384 | D | 31.7 | Very low | 33.7 | Very low | 152 Ų | 152 | 123.3 Ų | 123.3 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | | | trans | 59.6 | -178.7 | 153.7 | -140.5 | 30 | 0 | 0 | 0 | 118.5 | | |
| 385 | P | 45.4 | Very low | 33.7 | Very low | 92 Ų | 92 | 127.2 Ų | 127.2 | 60% | 0.597 | 77% | 0.767 | S | S | * | * | | | | -107.7 | -173 | -59.5 | 22 | -3.4 | 0 | 0 | 0 | 113 | | |
| 386 | L | 31.5 | Very low | 34 | Very low | 155 Ų | 155 | 128.2 Ų | 128.2 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | | | trans | 64.2 | 89.8 | 159.1 | -80.8 | 158.6 | 0 | 0 | 0 | 118.7 | | |
| 387 | M | 31.5 | Very low | 33.6 | Very low | 190 Ų | 190 | 128.7 Ų | 128.7 | 94% | 0.936 | 76% | 0.76 | S | S | * | * | | | trans | -144.3 | 139.9 | 136.7 | -90.7 | -57.6 | 179.6 | 0 | 0 | 110.5 | | |
| 388 | T | 32.3 | Very low | 33.9 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | | | trans | -98.2 | 170.1 | -179.5 | 23.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 389 | P | 45.5 | Very low | 33.7 | Very low | 117 Ų | 117 | 133 Ų | 133 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | | | trans | -91.2 | -160.1 | -160.5 | 39.2 | -39.6 | 0 | 0 | 0 | 115 | | |
| 390 | E | 29 | Very low | 33.9 | Very low | 175 Ų | 175 | 130.8 Ų | 130.8 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | trans | 80.5 | 153.2 | -169.2 | -53.4 | -167.5 | 116 | 0 | 0 | 113.7 | | |
| 391 | L | 32.8 | Very low | 33.3 | Very low | 149 Ų | 149 | 132.4 Ų | 132.4 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | | | cis | -113.5 | 160.9 | 5.3 | -84.5 | 82.9 | 0 | 0 | 0 | 110.6 | | |
| 392 | A | 34.1 | Very low | 33.7 | Very low | 75 Ų | 75 | 134.5 Ų | 134.5 | 62% | 0.62 | 75% | 0.748 | S | S | * | * | | | cis | 63 | 149.6 | 46.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 393 | D | 35 | Very low | 33.9 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 59% | 0.588 | 75% | 0.747 | S | S | * | * | | | cis | -157.6 | 150.7 | 8.6 | -132.7 | -17.3 | 0 | 0 | 0 | 108.4 | Y395 | D393-Y395 HydrophobicContact CB-CE2 4.4Å; D393-Y395 VanDerWaalsContact OD2-CE2 3.29Å; D393-Y395 WeakPolarHBondContact OD2-CE2 3.46Å |
| 394 | V | 34.3 | Very low | 34.2 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | | | trans | -154.6 | 97.6 | 131.7 | -174.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 395 | Y | 33.3 | Very low | 34.2 | Very low | 151 Ų | 151 | 137 Ų | 137 | 59% | 0.592 | 75% | 0.748 | S | S | * | * | | | trans | 7.5 | 120.9 | 152.1 | -68.8 | -102.6 | 0 | 0 | 0 | 119.4 | D393 | D393-Y395 HydrophobicContact CB-CE2 4.4Å; D393-Y395 VanDerWaalsContact OD2-CE2 3.29Å; D393-Y395 WeakPolarHBondContact OD2-CE2 3.46Å |
| 396 | R | 33 | Very low | 33.7 | Very low | 186 Ų | 186 | 138.6 Ų | 138.6 | 70% | 0.702 | 76% | 0.756 | S | S | * | * | | | | 79.2 | 131.1 | 70.2 | -147.8 | -155.1 | -78.5 | -166.2 | -5.8 | 113.3 | | |
| 397 | T | 30.7 | Very low | 33.5 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | | -177.1 | 155.5 | 99.9 | -63 | 0 | 0 | 0 | 0 | 111.8 | | |
| 398 | Y | 33.9 | Very low | 33.5 | Very low | 181 Ų | 181 | 139.3 Ų | 139.3 | 71% | 0.71 | 76% | 0.755 | S | S | * | * | | | trans | -44.5 | 165.4 | 178.7 | -63 | -97.5 | 0 | 0 | 0 | 116.3 | | |
| 399 | D | 29.8 | Very low | 33.5 | Very low | 147 Ų | 147 | 141 Ų | 141 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | | | cis | -139.8 | 158.8 | 33.6 | -80.2 | -58.8 | 0 | 0 | 0 | 111.2 | | |
| 400 | A | 34.1 | Very low | 33 | Very low | 83 Ų | 83 | 142 Ų | 142 | 69% | 0.686 | 75% | 0.753 | S | S | * | * | | | cis | 86.2 | 92.4 | 40.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 401 | D | 31.7 | Very low | 33.2 | Very low | 145 Ų | 145 | 142.2 Ų | 142.2 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | | | trans | -163.8 | 167.4 | 134.6 | -132.4 | -23.5 | 0 | 0 | 0 | 115.1 | | |
| 402 | M | 36.6 | Very low | 33.3 | Very low | 150 Ų | 150 | 141.4 Ų | 141.4 | 74% | 0.739 | 76% | 0.755 | S | S | * | * | | | trans | -4.6 | 134.1 | 177 | -44.9 | -166.8 | -177 | 0 | 0 | 120.2 | | |
| 403 | T | 34.8 | Very low | 33.1 | Very low | 131 Ų | 131 | 143.8 Ų | 143.8 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | cis | 73.6 | 114.4 | 27.3 | 79.4 | 0 | 0 | 0 | 0 | 118 | | |
| 404 | T | 37.8 | Very low | 33.3 | Very low | 146 Ų | 146 | 146.8 Ų | 146.8 | 90% | 0.896 | 77% | 0.774 | S | S | * | * | | | trans | -128.5 | 115.9 | 176.5 | -44 | 0 | 0 | 0 | 0 | 111.9 | | |
| 405 | S | 32 | Very low | 33.2 | Very low | 105 Ų | 105 | 147.8 Ų | 147.8 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | trans | -173.6 | 111.1 | 163.5 | 51.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 406 | V | 33.6 | Very low | 33.3 | Very low | 125 Ų | 125 | 146.6 Ų | 146.6 | 76% | 0.758 | 78% | 0.784 | S | S | * | * | | | | 73.2 | 113.7 | 84.8 | 170.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 407 | D | 27.6 | Very low | 33.4 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | | | trans | -72.3 | 156.7 | 172.5 | -69.1 | -61.4 | 0 | 0 | 0 | 112.7 | | |
| 408 | F | 31.6 | Very low | 33.5 | Very low | 202 Ų | 202 | 147.3 Ų | 147.3 | 89% | 0.886 | 80% | 0.799 | S | S | * | * | | | trans | -109.3 | 159.6 | 172.3 | -84.3 | -100.3 | 0 | 0 | 0 | 110.6 | | |
| 409 | Q | 33.4 | Very low | 33.5 | Very low | 161 Ų | 161 | 143 Ų | 143 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | trans | -109.7 | 148.2 | 173.4 | -128.2 | -162.1 | -65.2 | 0 | 0 | 112 | | |
| 410 | D | 34.2 | Very low | 34.5 | Very low | 137 Ų | 137 | 141.5 Ų | 141.5 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | | | trans | 65.3 | 128.9 | 158.5 | -53.6 | -17.3 | 0 | 0 | 0 | 120.3 | | |
| 411 | E | 34.2 | Very low | 34.2 | Very low | 181 Ų | 181 | 145.3 Ų | 145.3 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | | | trans | -131.8 | 143.9 | 172.1 | 179.7 | 174.3 | -159.8 | 0 | 0 | 108.6 | | |
| 412 | V | 33.5 | Very low | 34.1 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 80% | 0.8 | 81% | 0.806 | S | S | * | * | | | trans | -128.3 | 127.2 | -179.2 | 175.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 413 | T | 31 | Very low | 34.1 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 76% | 0.761 | 81% | 0.808 | S | S | * | * | | | trans | -125.6 | 141 | 176.3 | -68.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 414 | M | 39.5 | Very low | 33.9 | Very low | 173 Ų | 173 | 145.3 Ų | 145.3 | 85% | 0.852 | 81% | 0.808 | S | S | * | * | | | trans | -121.4 | 145 | 170.6 | -68.8 | -178.1 | 170.4 | 0 | 0 | 110.1 | | |
| 415 | D | 31.3 | Very low | 33.5 | Very low | 162 Ų | 162 | 144.4 Ų | 144.4 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | | | trans | -157.9 | 169.8 | 135.9 | -140 | -30.7 | 0 | 0 | 0 | 111.3 | | |
| 416 | T | 35.2 | Very low | 33.3 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | | | trans | -138.3 | 153 | -171.2 | -67.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 417 | T | 35 | Very low | 33.2 | Very low | 139 Ų | 139 | 147 Ų | 147 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | | | trans | -134.2 | 161.1 | -172.6 | -70.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 418 | M | 33.6 | Very low | 34 | Very low | 184 Ų | 184 | 145.2 Ų | 145.2 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | | | trans | -75 | 165.9 | -164.3 | -63.3 | -78.9 | -176.4 | 0 | 0 | 117 | | |
| 419 | A | 32.3 | Very low | 33.7 | Very low | 91 Ų | 91 | 139.1 Ų | 139.1 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | trans | -98.7 | -162.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 420 | P | 51.6 | Low | 33.4 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | | | cis | -142.4 | -175.2 | -1.3 | 44.5 | -25.6 | 0 | 0 | 0 | 117.5 | | |
| 421 | N | 27.9 | Very low | 33.3 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | | | trans | -163.9 | 171.6 | 160.1 | -120.2 | -103.3 | 0 | 0 | 0 | 110.1 | | |
| 422 | S | 30.6 | Very low | 33.4 | Very low | 105 Ų | 105 | 137.5 Ų | 137.5 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | | | cis | -138 | -123.8 | 2.3 | 62.8 | 0 | 0 | 0 | 0 | 113 | | |
| 423 | L | 35 | Very low | 33.5 | Very low | 150 Ų | 150 | 141 Ų | 141 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | | | trans | -161.5 | 158.5 | -164 | -116.5 | 171.5 | 0 | 0 | 0 | 117.3 | | |
| 424 | Q | 31.5 | Very low | 33.8 | Very low | 171 Ų | 171 | 142.5 Ų | 142.5 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | | | trans | 78.1 | 156.4 | 165.7 | -58.1 | -179.5 | 17.3 | 0 | 0 | 120.1 | | |
| 425 | T | 29.7 | Very low | 34 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | cis | -170.9 | 151.5 | -31.8 | -79.4 | 0 | 0 | 0 | 0 | 110 | | |
| 426 | S | 27.1 | Very low | 34.1 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | trans | 97.5 | 140.1 | 159.9 | -147.5 | 0 | 0 | 0 | 0 | 121.3 | | |
| 427 | M | 31.7 | Very low | 34.2 | Very low | 170 Ų | 170 | 140 Ų | 140 | 84% | 0.837 | 79% | 0.79 | S | S | * | * | | | trans | -113.5 | -168.6 | 166.1 | -66.3 | -78.8 | -75.2 | 0 | 0 | 108.3 | | |
| 428 | P | 43.6 | Very low | 34.1 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | | | cis | -128.1 | 178 | -18.3 | 40.6 | -26.3 | 0 | 0 | 0 | 113.8 | | |
| 429 | G | 26.1 | Very low | 34.3 | Very low | 75 Ų | 75 | 141.8 Ų | 141.8 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | trans | 163.1 | 97.8 | 156.2 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 430 | N | 27.7 | Very low | 34.6 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 69% | 0.69 | 78% | 0.777 | S | S | * | * | | | | 62.5 | 96.7 | 128.5 | -156.3 | 52.9 | 0 | 0 | 0 | 123.8 | | |
| 431 | R | 31.9 | Very low | 34.1 | Very low | 222 Ų | 222 | 141.2 Ų | 141.2 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | | | trans | 66 | 133.7 | 133.1 | -73.1 | -172.6 | -120.6 | -138.2 | -1.9 | 124 | | |
| 432 | A | 35.7 | Very low | 34.6 | Very low | 94 Ų | 94 | 143.7 Ų | 143.7 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | | | trans | 77.5 | 89.5 | 135.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 433 | Q | 36.6 | Very low | 35.4 | Very low | 204 Ų | 204 | 146.9 Ų | 146.9 | 95% | 0.953 | 77% | 0.767 | S | S | * | * | | | | -155.6 | 137.8 | 115.6 | -112.8 | 168.1 | 1.5 | 0 | 0 | 111.3 | | |
| 434 | E | 35.8 | Very low | 35.7 | Very low | 157 Ų | 157 | 149.2 Ų | 149.2 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | | | trans | -108.4 | 159.3 | 162.2 | -131.6 | -159.8 | 117.1 | 0 | 0 | 107 | E436 | E434-E436 PolarHBondContact OE1-N 3.45Š|
| 435 | P | 44.9 | Very low | 36.3 | Very low | 115 Ų | 115 | 150.2 Ų | 150.2 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | | | | -137.9 | 144.3 | 67.2 | 36.1 | -19.5 | 0 | 0 | 0 | 116.3 | | |
| 436 | E | 32.1 | Very low | 36.5 | Very low | 128 Ų | 128 | 152.7 Ų | 152.7 | 60% | 0.598 | 78% | 0.779 | S | S | * | * | | | | 31 | 111.6 | 124.9 | -166.4 | 173.2 | -150.3 | 0 | 0 | 118.6 | E434 M438 | E434-E436 PolarHBondContact OE1-N 3.45Å; E436-M438 HydrophobicContact CG-CG 4.42Å; E436-M438 WeakPolarHBondContact OE1-CE 3.29Å |
| 437 | M | 37.4 | Very low | 37.9 | Very low | 167 Ų | 167 | 156.6 Ų | 156.6 | 82% | 0.823 | 80% | 0.801 | S | S | * | * | | | trans | -136.7 | 112.9 | 144 | -163.1 | 171.3 | -65.6 | 0 | 0 | 109.3 | | |
| 438 | M | 32.6 | Very low | 38.2 | Very low | 145 Ų | 145 | 155.9 Ų | 155.9 | 71% | 0.714 | 80% | 0.799 | S | S | * | * | | | trans | -65.4 | 134.7 | -173.1 | -64.4 | 172.7 | 163.5 | 0 | 0 | 112.7 | E436 | E436-M438 HydrophobicContact CG-CG 4.42Å; E436-M438 WeakPolarHBondContact OE1-CE 3.29Å |
| 439 | Y | 38.3 | Very low | 38 | Very low | 215 Ų | 215 | 157.7 Ų | 157.7 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | | | trans | -127.2 | 94.2 | 154.3 | -82.5 | -76.7 | 0 | 0 | 0 | 108.8 | A441 | Y439-A441 PolarHBondContact O-N 3.04Š|
| 440 | D | 39.6 | Very low | 38.6 | Very low | 128 Ų | 128 | 162.3 Ų | 162.3 | 68% | 0.684 | 80% | 0.801 | S | S | * | * | | | trans | -75.7 | 108.4 | -176.2 | -155.5 | 4.8 | 0 | 0 | 0 | 109.9 | W442 | D440-W442 VanDerWaalsContact O-CD1 3.32Å; D440-W442 PolarHBondContact O-N 2.78Å; D440-W442 VanDerWaalsContact O-N 3.11Å |
| 441 | A | 41 | Very low | 39.3 | Very low | 65 Ų | 65 | 164.2 Ų | 164.2 | 54% | 0.537 | 81% | 0.808 | S | S | . | * | | | trans | -82.5 | 90 | -172.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y439 H443 | Y439-A441 PolarHBondContact O-N 3.04Å; A441-H443 PolarHBondContact O-N 3.37Å; A441-H443 PolarHBondContact O-ND1 3.38Å |
| 442 | W | 38.2 | Very low | 39.7 | Very low | 216 Ų | 216 | 160.6 Ų | 160.6 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -63.8 | 94 | 176 | -74.1 | 83.9 | 0 | 0 | 0 | 111.8 | D440 F444 | D440-W442 VanDerWaalsContact O-CD1 3.32Å; D440-W442 PolarHBondContact O-N 2.78Å; D440-W442 VanDerWaalsContact O-N 3.11Å; W442-F444 PolarHBondContact O-N 2.92Å |
| 443 | H | 46.5 | Very low | 40 | Very low | 172 Ų | 172 | 165.1 Ų | 165.1 | 80% | 0.796 | 81% | 0.808 | S | S | * | * | | | trans | -75.7 | 111.4 | 173.6 | -71.7 | 63.5 | 0 | 0 | 0 | 109.3 | A441 | A441-H443 PolarHBondContact O-N 3.37Å; A441-H443 PolarHBondContact O-ND1 3.38Å |
| 444 | F | 42.6 | Very low | 40.2 | Very low | 199 Ų | 199 | 162.3 Ų | 162.3 | 87% | 0.873 | 80% | 0.797 | S | S | * | * | | | trans | -72.1 | 136.9 | 166.6 | -102.8 | -95.6 | 0 | 0 | 0 | 110.3 | W442 | W442-F444 PolarHBondContact O-N 2.92Š|
| 445 | Q | 42.2 | Very low | 40.6 | Very low | 192 Ų | 192 | 162.7 Ų | 162.7 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | | | trans | -120.5 | 110.1 | 178.7 | -160 | 164.1 | 18.2 | 0 | 0 | 107.6 | | |
| 446 | E | 35.6 | Very low | 40.2 | Very low | 177 Ų | 177 | 166.7 Ų | 166.7 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | | | trans | -86 | 163.3 | 179.6 | -88.9 | -157.1 | 118.7 | 0 | 0 | 112.4 | | |
| 447 | P | 56.5 | Low | 41 | Very low | 196 Ų | 196 | 170.2 Ų | 170.2 | 100% | 1.273 | 83% | 0.826 | S | S | * | * | | | trans | -73.5 | 0 | -145.9 | -21.7 | 34.6 | 0 | 0 | 0 | 118.6 | | |