| 1 | M | 50.7 | Low | 62.2 | Low | 230 Ų | 230 | 178.9 Ų | 178.9 | 100% | 1.133 | 87% | 0.87 | S | S | * | * | | | | 0 | 102.2 | 0 | -73.8 | 172.3 | 74.8 | 0 | 0 | 109.6 | K3 | M1-K3 PolarHBondContact O-N 3.35Š|
| 2 | L | 51.8 | Low | 62 | Low | 170 Ų | 170 | 169.9 Ų | 169.9 | 89% | 0.89 | 85% | 0.846 | S | S | * | * | | | trans | -84.8 | 103.5 | 177.8 | -90.8 | 79.9 | 0 | 0 | 0 | 110.4 | R4 | L2-R4 PolarHBondContact O-N 3.47Š|
| 3 | K | 66.7 | Low | 62.3 | Low | 200 Ų | 200 | 167.7 Ų | 167.7 | 87% | 0.87 | 83% | 0.831 | S | S | * | * | | | trans | -78.5 | 104.3 | 170.6 | -85.1 | -179.4 | 172.5 | 173.9 | 0 | 109.7 | M1 K5 | M1-K3 PolarHBondContact O-N 3.35Å; K3-K5 PolarHBondContact O-N 3.37Å |
| 4 | R | 66.8 | Low | 62.6 | Low | 243 Ų | 243 | 170.1 Ų | 170.1 | 92% | 0.917 | 83% | 0.828 | S | S | * | * | | | trans | -73.6 | 119.8 | 168.3 | -62.4 | -175.7 | -147.1 | 143.6 | 5.4 | 109.3 | L2 A6 | L2-R4 PolarHBondContact O-N 3.47Å; R4-A6 PolarHBondContact O-N 3.2Å |
| 5 | K | 68.3 | Low | 62.6 | Low | 204 Ų | 204 | 172.3 Ų | 172.3 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | | | trans | -76.3 | 114.4 | 172.9 | -125.4 | 170.5 | 176.7 | 176.3 | 0 | 108 | K3 V7 | K3-K5 PolarHBondContact O-N 3.37Å; K5-V7 PolarHBondContact O-N 3.33Å |
| 6 | A | 60.6 | Low | 63.3 | Low | 94 Ų | 94 | 168.2 Ų | 168.2 | 78% | 0.777 | 82% | 0.815 | S | S | * | * | | | trans | -74.8 | 113.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | R4 R8 | R4-A6 PolarHBondContact O-N 3.2Å; A6-R8 PolarHBondContact O-N 3.27Å |
| 7 | V | 67.8 | Low | 64.2 | Low | 136 Ų | 136 | 161.9 Ų | 161.9 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | | | trans | -70.5 | 108 | 170.4 | 171.8 | 0 | 0 | 0 | 0 | 107.6 | K5 R9 | K5-V7 PolarHBondContact O-N 3.33Å; V7-R9 PolarHBondContact O-N 3.25Å |
| 8 | R | 68.7 | Low | 64.8 | Low | 233 Ų | 233 | 157.1 Ų | 157.1 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 119 | 168.4 | -74.4 | -174.5 | 175.2 | 149.6 | -0.7 | 107.8 | A6 C10 | A6-R8 PolarHBondContact O-N 3.27Å; R8-C10 PolarHBondContact O-N 3.25Å |
| 9 | R | 64 | Low | 65.7 | Low | 243 Ų | 243 | 155.4 Ų | 155.4 | 92% | 0.917 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -66 | 117.5 | 167.8 | -72 | -178.3 | 160.7 | 125.4 | -2.9 | 107.7 | V7 S11 | V7-R9 PolarHBondContact O-N 3.25Å; R9-S11 PolarHBondContact O-N 3.08Å |
| 10 | C | 56 | Low | 66.4 | Low | 127 Ų | 127 | 151.4 Ų | 151.4 | 86% | 0.858 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 121.5 | 166.4 | -65.8 | 0 | 0 | 0 | 0 | 107.7 | R8 A12 | R8-C10 PolarHBondContact O-N 3.25Å; C10-A12 PolarHBondContact O-N 3.02Å |
| 11 | S | 62.8 | Low | 67.1 | Low | 88 Ų | 88 | 149 Ų | 149 | 62% | 0.615 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 118.5 | 167.4 | 44.3 | 0 | 0 | 0 | 0 | 108.1 | R9 H13 | R9-S11 PolarHBondContact O-N 3.08Å; S11-H13 PolarHBondContact O-CD2 2.87Å; S11-H13 PolarHBondContact O-N 3.32Å; S11-H13 VanDerWaalsContact O-N 3.1Å |
| 12 | A | 59.4 | Low | 68.7 | Low | 71 Ų | 71 | 142.1 Ų | 142.1 | 59% | 0.587 | 71% | 0.708 | S | S | * | * | | | trans | -64.1 | 110.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | C10 Y14 | C10-A12 PolarHBondContact O-N 3.02Å; A12-Y14 HydrophobicContact CB-CD2 4.37Å; A12-Y14 HydrophobicContact CB-CE2 3.92Å; A12-Y14 PolarHBondContact O-N 3.2Å |
| 13 | H | 66.1 | Low | 70.1 | Confident | 141 Ų | 141 | 140.6 Ų | 140.6 | 65% | 0.653 | 70% | 0.697 | S | S | * | * | | | trans | -76.2 | 101.8 | 166.7 | -74.7 | -89.2 | 0 | 0 | 0 | 106.7 | S11 Y15 | S11-H13 PolarHBondContact O-CD2 2.87Å; S11-H13 PolarHBondContact O-N 3.32Å; S11-H13 VanDerWaalsContact O-N 3.1Å; H13-Y15 HydrophobicContact CB-CE2 4.23Å; H13-Y15 PolarHBondContact O-N 3.4Å |
| 14 | Y | 66.8 | Low | 70.9 | Confident | 201 Ų | 201 | 135.9 Ų | 135.9 | 79% | 0.788 | 68% | 0.681 | S | S | * | * | | | trans | -72.6 | 112.2 | 166.1 | -69 | -87.5 | 0 | 0 | 0 | 107.1 | A12 V16 | A12-Y14 HydrophobicContact CB-CD2 4.37Å; A12-Y14 HydrophobicContact CB-CE2 3.92Å; A12-Y14 PolarHBondContact O-N 3.2Å; Y14-V16 PolarHBondContact O-N 2.99Å |
| 15 | Y | 63 | Low | 71.8 | Confident | 203 Ų | 203 | 129.6 Ų | 129.6 | 80% | 0.796 | 66% | 0.662 | S | S | * | * | | | trans | -80.4 | 104.3 | 167.5 | -64.8 | -84.1 | 0 | 0 | 0 | 106.6 | H13 T17 | H13-Y15 HydrophobicContact CB-CE2 4.23Å; H13-Y15 PolarHBondContact O-N 3.4Å; Y15-T17 PolarHBondContact O-N 3.07Å |
| 16 | V | 74 | Confident | 72.7 | Confident | 107 Ų | 107 | 124.1 Ų | 124.1 | 65% | 0.648 | 65% | 0.645 | S | S | * | * | | | trans | -74.4 | 118.4 | 165.8 | 179.7 | 0 | 0 | 0 | 0 | 105.7 | Y14 D20 | Y14-V16 PolarHBondContact O-N 2.99Å; V16-D20 HydrophobicContact CG1-CB 3.71Å |
| 17 | T | 77.4 | Confident | 74.1 | Confident | 62 Ų | 62 | 126.8 Ų | 126.8 | 38% | 0.38 | 64% | 0.64 | S | S | . | * | | | trans | -71.9 | 156.8 | 178.6 | 62.3 | 0 | 0 | 0 | 0 | 109.6 | Y15 E19 D20 H21 | Y15-T17 PolarHBondContact O-N 3.07Å; T17-E19 WeakPolarHBondContact CB-OE2 3.16Å; T17-E19 PolarHBondContact O-N 3.01Å; T17-D20 PolarHBondContact N-OD2 3.38Å; T17-D20 WeakPolarHBondContact O-CB 3.36Å; T17-D20 PolarHBondContact O-N 3.11Å; T17-D20 VanDerWaalsContact O-N 3.14Å; T17-D20 PolarHBondContact OG1-N 3.02Å; T17-D20 PolarHBondContact OG1-OD2 3.07Å; T17-H21 PolarHBondContact O-N 3.46Å |
| 18 | A | 76.2 | Confident | 75.1 | Confident | 74 Ų | 74 | 125.6 Ų | 125.6 | 61% | 0.612 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -62.2 | -30.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | H21 V22 | A18-H21 WeakPolarHBondContact O-CB 3.2Å; A18-H21 PolarHBondContact O-N 3.43Å; A18-V22 WeakPolarHBondContact O-CG2 3.26Å; A18-V22 PolarHBondContact O-N 3.05Å |
| 19 | E | 80.4 | Confident | 75.9 | Confident | 125 Ų | 125 | 120.7 Ų | 120.7 | 58% | 0.584 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.4 | -45.8 | 173.6 | -62.3 | 80.3 | -179.7 | 0 | 0 | 111.6 | T17 H21 V22 E23 | T17-E19 WeakPolarHBondContact CB-OE2 3.16Å; T17-E19 PolarHBondContact O-N 3.01Å; E19-H21 PolarHBondContact O-N 2.7Å; E19-V22 PolarHBondContact O-N 3.11Å; E19-E23 PolarHBondContact O-N 3.29Å |
| 20 | D | 80.5 | Confident | 77 | Confident | 76 Ų | 76 | 116.2 Ų | 116.2 | 41% | 0.406 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -60.3 | -35.5 | 175 | -66.2 | -41.2 | 0 | 0 | 0 | 111.8 | V16 T17 N24 | V16-D20 HydrophobicContact CG1-CB 3.71Å; T17-D20 PolarHBondContact N-OD2 3.38Å; T17-D20 WeakPolarHBondContact O-CB 3.36Å; T17-D20 PolarHBondContact O-N 3.11Å; T17-D20 VanDerWaalsContact O-N 3.14Å; T17-D20 PolarHBondContact OG1-N 3.02Å; T17-D20 PolarHBondContact OG1-OD2 3.07Å; D20-N24 VanDerWaalsContact O-CB 3.23Å; D20-N24 WeakPolarHBondContact O-CB 3.24Å; D20-N24 PolarHBondContact O-N 2.97Å |
| 21 | H | 81.2 | Confident | 78.5 | Confident | 101 Ų | 101 | 114.9 Ų | 114.9 | 47% | 0.468 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.7 | -47.1 | 178.6 | -173.4 | 57.6 | 0 | 0 | 0 | 111.3 | T17 A18 E19 N24 E25 | T17-H21 PolarHBondContact O-N 3.46Å; A18-H21 WeakPolarHBondContact O-CB 3.2Å; A18-H21 PolarHBondContact O-N 3.43Å; E19-H21 PolarHBondContact O-N 2.7Å; H21-N24 PolarHBondContact O-N 3.11Å; H21-E25 IonicContact CE1-OE1 3.62Å; H21-E25 IonicContact NE2-OE1 3.3Å; H21-E25 PolarHBondContact NE2-OE1 3.05Å; H21-E25 WeakPolarHBondContact O-CG 3.26Å; H21-E25 PolarHBondContact O-N 3Å |
| 22 | V | 84 | Confident | 79.5 | Confident | 85 Ų | 85 | 115.2 Ų | 115.2 | 52% | 0.515 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.4 | -43.7 | 178 | 175.5 | 0 | 0 | 0 | 0 | 111 | A18 E19 N24 E25 V26 | A18-V22 WeakPolarHBondContact O-CG2 3.26Å; A18-V22 PolarHBondContact O-N 3.05Å; E19-V22 PolarHBondContact O-N 3.11Å; V22-N24 VanDerWaalsContact C-N 3.3Å; V22-N24 PolarHBondContact O-N 2.98Å; V22-E25 PolarHBondContact O-N 3.22Å; V22-V26 WeakPolarHBondContact O-CG2 3.26Å; V22-V26 PolarHBondContact O-N 3.12Å |
| 23 | E | 82 | Confident | 80.6 | Confident | 139 Ų | 139 | 115.9 Ų | 115.9 | 65% | 0.65 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.9 | -39.5 | 177.4 | -171.9 | 175.3 | 178.9 | 0 | 0 | 111.6 | E19 V26 K27 | E19-E23 PolarHBondContact O-N 3.29Å; E23-V26 PolarHBondContact O-N 2.99Å; E23-K27 VanDerWaalsContact O-CB 3.3Å; E23-K27 WeakPolarHBondContact O-CB 3.29Å; E23-K27 PolarHBondContact O-N 3.08Å |
| 24 | N | 83 | Confident | 81 | Confident | 101 Ų | 101 | 114.4 Ų | 114.4 | 54% | 0.54 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.5 | -36.7 | 176.7 | -171.4 | 57.4 | 0 | 0 | 0 | 112.4 | D20 H21 V22 H28 | D20-N24 VanDerWaalsContact O-CB 3.23Å; D20-N24 WeakPolarHBondContact O-CB 3.24Å; D20-N24 PolarHBondContact O-N 2.97Å; H21-N24 PolarHBondContact O-N 3.11Å; V22-N24 VanDerWaalsContact C-N 3.3Å; V22-N24 PolarHBondContact O-N 2.98Å; N24-H28 WeakPolarHBondContact O-CB 3.39Å; N24-H28 PolarHBondContact O-N 3.12Å |
| 25 | E | 84.6 | Confident | 81.2 | Confident | 110 Ų | 110 | 107.9 Ų | 107.9 | 51% | 0.514 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.3 | -46.7 | 174.4 | -73.4 | -170.3 | 157.2 | 0 | 0 | 112.2 | H21 V22 K27 H28 E29 | H21-E25 IonicContact CE1-OE1 3.62Å; H21-E25 IonicContact NE2-OE1 3.3Å; H21-E25 PolarHBondContact NE2-OE1 3.05Å; H21-E25 WeakPolarHBondContact O-CG 3.26Å; H21-E25 PolarHBondContact O-N 3Å; V22-E25 PolarHBondContact O-N 3.22Å; E25-K27 VanDerWaalsContact C-N 3.29Å; E25-K27 PolarHBondContact O-N 3.11Å; E25-H28 WeakPolarHBondContact O-CB 3.37Å; E25-H28 PolarHBondContact O-N 3.04Å; E25-H28 VanDerWaalsContact O-N 3.11Å; E25-E29 PolarHBondContact O-N 2.9Å |
| 26 | V | 88.1 | Confident | 81.5 | Confident | 89 Ų | 89 | 101.7 Ų | 101.7 | 54% | 0.539 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 176.6 | 173.2 | 0 | 0 | 0 | 0 | 111 | V22 E23 H28 E29 K30 | V22-V26 WeakPolarHBondContact O-CG2 3.26Å; V22-V26 PolarHBondContact O-N 3.12Å; E23-V26 PolarHBondContact O-N 2.99Å; V26-H28 VanDerWaalsContact C-N 3.35Å; V26-E29 PolarHBondContact O-N 2.89Å; V26-K30 PolarHBondContact O-N 3.03Å |
| 27 | K | 89.1 | Confident | 81 | Confident | 151 Ų | 151 | 106 Ų | 106 | 66% | 0.657 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.6 | -39.8 | 175.5 | -172.9 | 177.4 | -179.4 | 178.5 | 0 | 112 | E23 E25 K30 L31 | E23-K27 VanDerWaalsContact O-CB 3.3Å; E23-K27 WeakPolarHBondContact O-CB 3.29Å; E23-K27 PolarHBondContact O-N 3.08Å; E25-K27 VanDerWaalsContact C-N 3.29Å; E25-K27 PolarHBondContact O-N 3.11Å; K27-K30 PolarHBondContact O-N 2.9Å; K27-L31 WeakPolarHBondContact O-CB 3.38Å; K27-L31 PolarHBondContact O-N 2.93Å |
| 28 | H | 89.7 | Confident | 80.2 | Confident | 111 Ų | 111 | 107.8 Ų | 107.8 | 51% | 0.514 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.8 | -42.1 | 176.7 | -174.8 | -102.4 | 0 | 0 | 0 | 111.6 | N24 E25 V26 L31 L32 | N24-H28 WeakPolarHBondContact O-CB 3.39Å; N24-H28 PolarHBondContact O-N 3.12Å; E25-H28 WeakPolarHBondContact O-CB 3.37Å; E25-H28 PolarHBondContact O-N 3.04Å; E25-H28 VanDerWaalsContact O-N 3.11Å; V26-H28 VanDerWaalsContact C-N 3.35Å; H28-L31 PolarHBondContact O-N 3.34Å; H28-L32 WeakPolarHBondContact O-CG 3.28Å; H28-L32 PolarHBondContact O-N 3.07Å |
| 29 | E | 85.5 | Confident | 79.4 | Confident | 129 Ų | 129 | 108.5 Ų | 108.5 | 60% | 0.603 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.7 | -42.6 | 175.2 | -170.9 | -177.6 | 174.5 | 0 | 0 | 112.2 | E25 V26 L31 L32 T33 | E25-E29 PolarHBondContact O-N 2.9Å; V26-E29 PolarHBondContact O-N 2.89Å; E29-L31 VanDerWaalsContact C-N 3.34Å; E29-L31 PolarHBondContact O-N 3.14Å; E29-L32 PolarHBondContact O-N 3.18Å; E29-T33 PolarHBondContact O-N 3.4Å; E29-T33 PolarHBondContact O-OG1 3.15Å |
| 30 | K | 87.2 | Confident | 78.2 | Confident | 150 Ų | 150 | 106.5 Ų | 106.5 | 65% | 0.652 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59.9 | -44.2 | 174.6 | -175.5 | 176.7 | 178.7 | 178.4 | 0 | 111.7 | V26 K27 T33 E34 | V26-K30 PolarHBondContact O-N 3.03Å; K27-K30 PolarHBondContact O-N 2.9Å; K30-T33 PolarHBondContact O-N 3.48Å; K30-E34 PolarHBondContact O-N 3.11Å |
| 31 | L | 87.2 | Confident | 77.1 | Confident | 98 Ų | 98 | 106.9 Ų | 106.9 | 51% | 0.513 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.3 | -40.7 | 178.6 | -173 | 68.9 | 0 | 0 | 0 | 111.9 | K27 H28 E29 T33 E34 T35 | K27-L31 WeakPolarHBondContact O-CB 3.38Å; K27-L31 PolarHBondContact O-N 2.93Å; H28-L31 PolarHBondContact O-N 3.34Å; E29-L31 VanDerWaalsContact C-N 3.34Å; E29-L31 PolarHBondContact O-N 3.14Å; L31-T33 VanDerWaalsContact C-N 3.31Å; L31-T33 PolarHBondContact O-N 3.48Å; L31-E34 PolarHBondContact O-N 2.97Å; L31-T35 HydrophobicContact CD1-CG2 4.38Å; L31-T35 HydrophobicContact CG-CG2 4.36Å; L31-T35 WeakPolarHBondContact O-CB 3.22Å; L31-T35 VanDerWaalsContact O-CG2 3.28Å; L31-T35 WeakPolarHBondContact O-CG2 3.12Å; L31-T35 PolarHBondContact O-N 3.04Å; L31-T35 PolarHBondContact O-OG1 2.9Å |
| 32 | L | 83.9 | Confident | 76 | Confident | 95 Ų | 95 | 111.5 Ų | 111.5 | 50% | 0.497 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.9 | -40.6 | 174.4 | -74.3 | 177.2 | 0 | 0 | 0 | 111.6 | H28 E29 T35 S36 | H28-L32 WeakPolarHBondContact O-CG 3.28Å; H28-L32 PolarHBondContact O-N 3.07Å; E29-L32 PolarHBondContact O-N 3.18Å; L32-T35 WeakPolarHBondContact CA-OG1 3.3Å; L32-T35 PolarHBondContact O-OG1 2.82Å; L32-T35 VanDerWaalsContact O-OG1 3.1Å; L32-S36 WeakPolarHBondContact O-CB 3.49Å; L32-S36 PolarHBondContact O-N 3.21Å |
| 33 | T | 81.8 | Confident | 74.7 | Confident | 85 Ų | 85 | 112 Ų | 112 | 52% | 0.521 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.9 | -44.3 | 177 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | E29 K30 L31 S36 R37 | E29-T33 PolarHBondContact O-N 3.4Å; E29-T33 PolarHBondContact O-OG1 3.15Å; K30-T33 PolarHBondContact O-N 3.48Å; L31-T33 VanDerWaalsContact C-N 3.31Å; L31-T33 PolarHBondContact O-N 3.48Å; T33-S36 PolarHBondContact O-N 3.45Å; T33-R37 PolarHBondContact O-N 3.42Å |
| 34 | E | 74.5 | Confident | 73.5 | Confident | 110 Ų | 110 | 108.3 Ų | 108.3 | 51% | 0.514 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.8 | -46.7 | 178 | -170.3 | 179.6 | 166.8 | 0 | 0 | 111.9 | K30 L31 S36 R37 L38 | K30-E34 PolarHBondContact O-N 3.11Å; L31-E34 PolarHBondContact O-N 2.97Å; E34-S36 VanDerWaalsContact C-N 3.28Å; E34-S36 PolarHBondContact O-N 2.99Å; E34-R37 PolarHBondContact O-N 2.91Å; E34-L38 PolarHBondContact O-N 3.27Å; E34-L38 VanDerWaalsContact O-N 3.16Å |
| 35 | T | 71.2 | Confident | 72.2 | Confident | 65 Ų | 65 | 109.8 Ų | 109.8 | 40% | 0.399 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.6 | -30.7 | 178 | 52.9 | 0 | 0 | 0 | 0 | 112.5 | L31 L32 L38 S39 | L31-T35 HydrophobicContact CD1-CG2 4.38Å; L31-T35 HydrophobicContact CG-CG2 4.36Å; L31-T35 WeakPolarHBondContact O-CB 3.22Å; L31-T35 VanDerWaalsContact O-CG2 3.28Å; L31-T35 WeakPolarHBondContact O-CG2 3.12Å; L31-T35 PolarHBondContact O-N 3.04Å; L31-T35 PolarHBondContact O-OG1 2.9Å; L32-T35 WeakPolarHBondContact CA-OG1 3.3Å; L32-T35 PolarHBondContact O-OG1 2.82Å; L32-T35 VanDerWaalsContact O-OG1 3.1Å; T35-L38 PolarHBondContact O-N 3.43Å; T35-S39 WeakPolarHBondContact O-CB 3.39Å; T35-S39 PolarHBondContact O-N 3.46Å |
| 36 | S | 69.3 | Low | 71 | Confident | 73 Ų | 73 | 109.4 Ų | 109.4 | 51% | 0.51 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.6 | -38.4 | 173.8 | -161.4 | 0 | 0 | 0 | 0 | 112.3 | L32 T33 E34 L38 S39 S40 | L32-S36 WeakPolarHBondContact O-CB 3.49Å; L32-S36 PolarHBondContact O-N 3.21Å; T33-S36 PolarHBondContact O-N 3.45Å; E34-S36 VanDerWaalsContact C-N 3.28Å; E34-S36 PolarHBondContact O-N 2.99Å; S36-L38 PolarHBondContact O-N 3.3Å; S36-S39 PolarHBondContact O-N 3.19Å; S36-S40 PolarHBondContact O-N 3.36Å; S36-S40 PolarHBondContact O-OG 2.82Å |
| 37 | R | 64.9 | Low | 69.4 | Low | 197 Ų | 197 | 111.3 Ų | 111.3 | 74% | 0.743 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.3 | -40.3 | 173.1 | -64.1 | 179.5 | 97.1 | 168.3 | 5.3 | 111.8 | T33 E34 S40 | T33-R37 PolarHBondContact O-N 3.42Å; E34-R37 PolarHBondContact O-N 2.91Å; R37-S40 PolarHBondContact O-N 3.16Å |
| 38 | L | 60.8 | Low | 67.8 | Low | 100 Ų | 100 | 109.1 Ų | 109.1 | 52% | 0.524 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -71.2 | -38.1 | 177.7 | -62.6 | 177 | 0 | 0 | 0 | 112.3 | E34 T35 S36 S40 S41 | E34-L38 PolarHBondContact O-N 3.27Å; E34-L38 VanDerWaalsContact O-N 3.16Å; T35-L38 PolarHBondContact O-N 3.43Å; S36-L38 PolarHBondContact O-N 3.3Å; L38-S40 PolarHBondContact O-N 3.3Å; L38-S41 PolarHBondContact O-N 3.18Å; L38-S41 VanDerWaalsContact O-N 3.11Å |
| 39 | S | 59.3 | Low | 66 | Low | 89 Ų | 89 | 109.3 Ų | 109.3 | 62% | 0.622 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63.8 | -28.8 | 176.9 | -169.6 | 0 | 0 | 0 | 0 | 112.3 | T35 S36 S41 | T35-S39 WeakPolarHBondContact O-CB 3.39Å; T35-S39 PolarHBondContact O-N 3.46Å; S36-S39 PolarHBondContact O-N 3.19Å; S39-S41 VanDerWaalsContact C-N 3.34Å |
| 40 | S | 54.3 | Low | 64.7 | Low | 83 Ų | 83 | 108.3 Ų | 108.3 | 58% | 0.58 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -73.9 | -25.5 | 176.5 | -52 | 0 | 0 | 0 | 0 | 112.7 | S36 R37 L38 W42 A43 | S36-S40 PolarHBondContact O-N 3.36Å; S36-S40 PolarHBondContact O-OG 2.82Å; R37-S40 PolarHBondContact O-N 3.16Å; L38-S40 PolarHBondContact O-N 3.3Å; S40-W42 VanDerWaalsContact C-N 3.34Å; S40-W42 PolarHBondContact O-N 3.5Å; S40-A43 PolarHBondContact O-N 3.27Å |
| 41 | S | 57.2 | Low | 63 | Low | 84 Ų | 84 | 110 Ų | 110 | 59% | 0.587 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -75.1 | -18.7 | -177.4 | -75.9 | 0 | 0 | 0 | 0 | 114.2 | L38 S39 A43 | L38-S41 PolarHBondContact O-N 3.18Å; L38-S41 VanDerWaalsContact O-N 3.11Å; S39-S41 VanDerWaalsContact C-N 3.34Å; S41-A43 VanDerWaalsContact C-N 3.3Å; S41-A43 PolarHBondContact O-N 2.83Å |
| 42 | W | 58.2 | Low | 61.4 | Low | 197 Ų | 197 | 110.7 Ų | 110.7 | 75% | 0.746 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -75.4 | -20.6 | 177.2 | -65.9 | 92.5 | 0 | 0 | 0 | 113.2 | S40 G44 L45 | S40-W42 VanDerWaalsContact C-N 3.34Å; S40-W42 PolarHBondContact O-N 3.5Å; W42-G44 VanDerWaalsContact C-N 3.27Å; W42-G44 PolarHBondContact O-N 2.73Å; W42-L45 HydrophobicContact CE3-CD1 4.39Å |
| 43 | A | 57.3 | Low | 59.6 | Low | 97 Ų | 97 | 111.4 Ų | 111.4 | 80% | 0.802 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -77.7 | -9.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | S40 S41 | S40-A43 PolarHBondContact O-N 3.27Å; S41-A43 VanDerWaalsContact C-N 3.3Å; S41-A43 PolarHBondContact O-N 2.83Å |
| 44 | G | 56.2 | Low | 58.1 | Low | 61 Ų | 61 | 114.4 Ų | 114.4 | 63% | 0.629 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -100.2 | -1.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | W42 S46 | W42-G44 VanDerWaalsContact C-N 3.27Å; W42-G44 PolarHBondContact O-N 2.73Å; G44-S46 VanDerWaalsContact C-N 3.3Å; G44-S46 PolarHBondContact O-N 2.97Å |
| 45 | L | 56.9 | Low | 57.2 | Low | 132 Ų | 132 | 120.5 Ų | 120.5 | 69% | 0.691 | 70% | 0.7 | S | S | * | * | | | trans | -81.6 | 77.4 | 178.7 | -70.2 | 169.6 | 0 | 0 | 0 | 110.3 | W42 V47 | W42-L45 HydrophobicContact CE3-CD1 4.39Å; L45-V47 PolarHBondContact O-N 3.1Å |
| 46 | S | 58.8 | Low | 56.2 | Low | 101 Ų | 101 | 124.8 Ų | 124.8 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | | | trans | -71.9 | 114.8 | 159.7 | 45.2 | 0 | 0 | 0 | 0 | 108.6 | G44 S48 | G44-S46 VanDerWaalsContact C-N 3.3Å; G44-S46 PolarHBondContact O-N 2.97Å; S46-S48 VanDerWaalsContact C-N 3.34Å; S46-S48 PolarHBondContact O-N 2.78Å |
| 47 | V | 55.3 | Low | 55.1 | Low | 130 Ų | 130 | 127 Ų | 127 | 79% | 0.788 | 74% | 0.735 | S | S | * | * | | | trans | -75.3 | 91.8 | 171.4 | -172.3 | 0 | 0 | 0 | 0 | 107.3 | L45 C49 | L45-V47 PolarHBondContact O-N 3.1Å; V47-C49 VanDerWaalsContact C-N 3.33Å; V47-C49 PolarHBondContact O-N 3.28Å |
| 48 | S | 55.3 | Low | 54.2 | Low | 104 Ų | 104 | 123.2 Ų | 123.2 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | | | trans | -71.8 | 92.1 | 168.1 | -62.2 | 0 | 0 | 0 | 0 | 108.4 | S46 S50 | S46-S48 VanDerWaalsContact C-N 3.34Å; S46-S48 PolarHBondContact O-N 2.78Å; S48-S50 VanDerWaalsContact C-N 3.29Å; S48-S50 PolarHBondContact O-N 3.03Å |
| 49 | C | 51.9 | Low | 53.7 | Low | 115 Ų | 115 | 124.1 Ų | 124.1 | 78% | 0.777 | 75% | 0.753 | S | S | * | * | | | trans | -68.4 | 88.9 | 162.8 | -92.9 | 0 | 0 | 0 | 0 | 108.7 | V47 E51 | V47-C49 VanDerWaalsContact C-N 3.33Å; V47-C49 PolarHBondContact O-N 3.28Å; C49-E51 PolarHBondContact O-N 3.45Å |
| 50 | S | 56.4 | Low | 53 | Low | 109 Ų | 109 | 125.3 Ų | 125.3 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | | | trans | -87.9 | 83 | 158.1 | 60 | 0 | 0 | 0 | 0 | 107.8 | S48 S52 | S48-S50 VanDerWaalsContact C-N 3.29Å; S48-S50 PolarHBondContact O-N 3.03Å; S50-S52 PolarHBondContact O-N 2.87Å |
| 51 | E | 52.8 | Low | 52.6 | Low | 184 Ų | 184 | 127 Ų | 127 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | | | trans | -70.1 | 117 | 162.7 | -155.2 | 166.1 | 130.1 | 0 | 0 | 106.5 | C49 S53 | C49-E51 PolarHBondContact O-N 3.45Å; E51-S53 PolarHBondContact O-N 3.37Å; E51-S53 VanDerWaalsContact O-N 3.08Å |
| 52 | S | 52.4 | Low | 51.7 | Low | 113 Ų | 113 | 129.8 Ų | 129.8 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | | | trans | -64.3 | 109.8 | 179.3 | 20.1 | 0 | 0 | 0 | 0 | 108.7 | S50 D54 | S50-S52 PolarHBondContact O-N 2.87Å; S52-D54 PolarHBondContact O-N 2.98Å |
| 53 | S | 46.8 | Very low | 51.1 | Low | 111 Ų | 111 | 126.1 Ų | 126.1 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | -64.8 | 107.2 | 166.2 | 172.1 | 0 | 0 | 0 | 0 | 108.9 | E51 | E51-S53 PolarHBondContact O-N 3.37Å; E51-S53 VanDerWaalsContact O-N 3.08Å |
| 54 | D | 49.9 | Very low | 50.9 | Low | 147 Ų | 147 | 128 Ų | 128 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | | | trans | -162.8 | 84.7 | 156.8 | -88 | -43.5 | 0 | 0 | 0 | 109.8 | S52 | S52-D54 PolarHBondContact O-N 2.98Š|
| 55 | R | 56.6 | Low | 50.2 | Low | 238 Ų | 238 | 132.1 Ų | 132.1 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | | | trans | -158.5 | 90.2 | 152.6 | -122.7 | -174.7 | 173.7 | -162 | -3.4 | 112.2 | C57 | R55-C57 PolarHBondContact O-N 3.44Š|
| 56 | D | 49.3 | Very low | 49.7 | Very low | 156 Ų | 156 | 131.4 Ų | 131.4 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | | | trans | -55.4 | 116.6 | 157.5 | -67.1 | -67.3 | 0 | 0 | 0 | 110.1 | | |
| 57 | C | 47.1 | Very low | 48.9 | Very low | 120 Ų | 120 | 131.5 Ų | 131.5 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | | | trans | -149.4 | 108.1 | 151.8 | -95.2 | 0 | 0 | 0 | 0 | 108.4 | R55 | R55-C57 PolarHBondContact O-N 3.44Š|
| 58 | S | 45.8 | Very low | 48.7 | Very low | 117 Ų | 117 | 131 Ų | 131 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | -39.9 | 135.2 | 167.4 | -44.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 59 | S | 49.3 | Very low | 48.3 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | trans | -172.5 | 109 | 131.4 | -80.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 60 | S | 44.9 | Very low | 48.2 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | | | trans | -41.4 | 134 | 159 | 43.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 61 | S | 45.7 | Very low | 48.2 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | | | | -179.5 | 129.1 | 122.6 | 32 | 0 | 0 | 0 | 0 | 111.2 | | |
| 62 | T | 38 | Very low | 48.3 | Very low | 144 Ų | 144 | 138 Ų | 138 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | | | trans | -63.5 | 128.3 | 171.7 | 46.8 | 0 | 0 | 0 | 0 | 111 | | |
| 63 | S | 47.2 | Very low | 48.4 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | | | trans | -152 | 146.8 | 148.3 | 60.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 64 | V | 51.6 | Low | 48.8 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | | | trans | -66 | 143.9 | -165.8 | -74 | 0 | 0 | 0 | 0 | 114.5 | | |
| 65 | N | 43 | Very low | 49.2 | Very low | 149 Ų | 149 | 137.6 Ų | 137.6 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | | | trans | 62.5 | 95.5 | 137.8 | -153.3 | 58.9 | 0 | 0 | 0 | 118 | | |
| 66 | S | 46.3 | Very low | 49.6 | Very low | 117 Ų | 117 | 133 Ų | 133 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -159.8 | 115.1 | 146.6 | -76.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 67 | S | 42.2 | Very low | 50.8 | Low | 102 Ų | 102 | 127 Ų | 127 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | | | trans | -57 | 127 | 176.1 | -52.5 | 0 | 0 | 0 | 0 | 111.6 | N69 | S67-N69 VanDerWaalsContact C-N 3.26Å; S67-N69 PolarHBondContact O-N 3.47Å; S67-N69 VanDerWaalsContact O-N 3.11Å |
| 68 | P | 49.6 | Very low | 51.9 | Low | 120 Ų | 120 | 127 Ų | 127 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | | | trans | -88.5 | 67.1 | 170 | 33.6 | -28.9 | 0 | 0 | 0 | 109.6 | H70 | P68-H70 PolarHBondContact O-N 3.32Å; P68-H70 VanDerWaalsContact O-N 3.11Å |
| 69 | N | 47.7 | Very low | 53.3 | Low | 155 Ų | 155 | 127.8 Ų | 127.8 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | | | trans | -80.9 | 52.2 | 155.9 | -88.4 | -34.7 | 0 | 0 | 0 | 109 | S67 | S67-N69 VanDerWaalsContact C-N 3.26Å; S67-N69 PolarHBondContact O-N 3.47Å; S67-N69 VanDerWaalsContact O-N 3.11Å |
| 70 | H | 50 | Low | 54.6 | Low | 172 Ų | 172 | 128.4 Ų | 128.4 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | | | trans | -106.9 | 83.9 | 161.4 | -92.8 | -73.9 | 0 | 0 | 0 | 106.3 | P68 P72 | P68-H70 PolarHBondContact O-N 3.32Å; P68-H70 VanDerWaalsContact O-N 3.11Å; H70-P72 VanDerWaalsContact O-CD 3.24Å; H70-P72 WeakPolarHBondContact O-CD 3.23Å; H70-P72 VanDerWaalsContact O-N 3.16Å |
| 71 | R | 55.6 | Low | 55.9 | Low | 238 Ų | 238 | 129 Ų | 129 | 90% | 0.898 | 76% | 0.761 | S | S | * | * | | | trans | -59.9 | 114.4 | 155.3 | -146.7 | -177.3 | -166.7 | -162.6 | 4 | 104.2 | S73 | R71-S73 PolarHBondContact O-N 2.95Å; R71-S73 VanDerWaalsContact O-N 3.12Å |
| 72 | P | 56.5 | Low | 57.2 | Low | 93 Ų | 93 | 128.2 Ų | 128.2 | 60% | 0.604 | 76% | 0.756 | S | S | * | * | | | trans | -60.4 | 128.4 | 175.9 | 26.3 | -30.7 | 0 | 0 | 0 | 105.8 | H70 S74 | H70-P72 VanDerWaalsContact O-CD 3.24Å; H70-P72 WeakPolarHBondContact O-CD 3.23Å; H70-P72 VanDerWaalsContact O-N 3.16Å; P72-S74 VanDerWaalsContact CB-OG 3.26Å; P72-S74 WeakPolarHBondContact CB-OG 3.45Å; P72-S74 VanDerWaalsContact CG-OG 3.26Å; P72-S74 WeakPolarHBondContact CG-OG 3.34Å; P72-S74 PolarHBondContact O-N 3.14Å; P72-S74 PolarHBondContact O-OG 2.98Å |
| 73 | S | 52.6 | Low | 58.5 | Low | 129 Ų | 129 | 127.1 Ų | 127.1 | 90% | 0.902 | 75% | 0.749 | S | S | * | * | | | trans | -63.9 | 72.4 | 164.3 | -178.1 | 0 | 0 | 0 | 0 | 106.5 | R71 F75 | R71-S73 PolarHBondContact O-N 2.95Å; R71-S73 VanDerWaalsContact O-N 3.12Å; S73-F75 PolarHBondContact O-N 2.93Å |
| 74 | S | 55.3 | Low | 59.7 | Low | 91 Ų | 91 | 127.1 Ų | 127.1 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | | | trans | -84.2 | 90.2 | -171.3 | -69.1 | 0 | 0 | 0 | 0 | 107.7 | P72 | P72-S74 VanDerWaalsContact CB-OG 3.26Å; P72-S74 WeakPolarHBondContact CB-OG 3.45Å; P72-S74 VanDerWaalsContact CG-OG 3.26Å; P72-S74 WeakPolarHBondContact CG-OG 3.34Å; P72-S74 PolarHBondContact O-N 3.14Å; P72-S74 PolarHBondContact O-OG 2.98Å |
| 75 | F | 59.7 | Low | 59.7 | Low | 143 Ų | 143 | 124.5 Ų | 124.5 | 63% | 0.627 | 73% | 0.73 | S | S | * | * | | | trans | 55.4 | 83.7 | 146.2 | -149.8 | -100.5 | 0 | 0 | 0 | 116.3 | S73 G77 | S73-F75 PolarHBondContact O-N 2.93Å; F75-G77 VanDerWaalsContact CD1-O 3.26Å; F75-G77 WeakPolarHBondContact CD1-O 3.39Å; F75-G77 VanDerWaalsContact CE1-C 3.45Å; F75-G77 WeakPolarHBondContact CE1-O 3.35Å; F75-G77 PolarHBondContact O-N 2.8Å |
| 76 | S | 64.5 | Low | 60.6 | Low | 143 Ų | 143 | 122.7 Ų | 122.7 | 100% | 1 | 73% | 0.73 | S | S | * | * | | | trans | -86.1 | 68.1 | 158.2 | -158.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 77 | G | 74.8 | Confident | 61 | Low | 30 Ų | 30 | 126.2 Ų | 126.2 | 31% | 0.309 | 73% | 0.727 | S | S | . | * | S | Bend | trans | -145.4 | 153.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | F75 L79 | F75-G77 VanDerWaalsContact CD1-O 3.26Å; F75-G77 WeakPolarHBondContact CD1-O 3.39Å; F75-G77 VanDerWaalsContact CE1-C 3.45Å; F75-G77 WeakPolarHBondContact CE1-O 3.35Å; F75-G77 PolarHBondContact O-N 2.8Å; G77-L79 PolarHBondContact O-N 2.9Å |
| 78 | P | 69.8 | Low | 61.8 | Low | 118 Ų | 118 | 126.7 Ų | 126.7 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | | | trans | -60.7 | 122.7 | 176.3 | 25 | -32 | 0 | 0 | 0 | 109.5 | V80 | P78-V80 PolarHBondContact O-N 3.41Å; P78-V80 VanDerWaalsContact O-N 3.14Å |
| 79 | L | 75.3 | Confident | 61.9 | Low | 135 Ų | 135 | 128.7 Ų | 128.7 | 71% | 0.707 | 73% | 0.729 | S | S | * | * | | | trans | -69.6 | 106.3 | 173.3 | -152 | 95.6 | 0 | 0 | 0 | 107.6 | G77 I81 | G77-L79 PolarHBondContact O-N 2.9Å; L79-I81 HydrophobicContact CD2-CD1 3.89Å; L79-I81 HydrophobicContact CD2-CG1 3.68Å; L79-I81 HydrophobicContact CG-CG1 4.41Å; L79-I81 PolarHBondContact O-N 2.92Å |
| 80 | V | 75.4 | Confident | 61.8 | Low | 130 Ų | 130 | 126.4 Ų | 126.4 | 79% | 0.788 | 73% | 0.725 | S | S | * | * | | | trans | -82.5 | 101.5 | 173.5 | -177.9 | 0 | 0 | 0 | 0 | 107.6 | P78 | P78-V80 PolarHBondContact O-N 3.41Å; P78-V80 VanDerWaalsContact O-N 3.14Å |
| 81 | I | 73.1 | Confident | 61.4 | Low | 127 Ų | 127 | 124.1 Ų | 124.1 | 65% | 0.651 | 73% | 0.725 | S | S | * | * | | | trans | -91.3 | 110.3 | 172.8 | -53.1 | 172.9 | 0 | 0 | 0 | 107.6 | L79 V83 | L79-I81 HydrophobicContact CD2-CD1 3.89Å; L79-I81 HydrophobicContact CD2-CG1 3.68Å; L79-I81 HydrophobicContact CG-CG1 4.41Å; L79-I81 PolarHBondContact O-N 2.92Å; I81-V83 HydrophobicContact CG2-CG2 4.3Å |
| 82 | S | 72.6 | Confident | 60.5 | Low | 102 Ų | 102 | 115.7 Ų | 115.7 | 71% | 0.713 | 71% | 0.712 | S | S | * | * | | | trans | -87.4 | 112.3 | 168.3 | 55.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 83 | V | 64.7 | Low | 59.9 | Low | 120 Ų | 120 | 117.8 Ų | 117.8 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | | | trans | -88.1 | 107.8 | 171.6 | -168.6 | 0 | 0 | 0 | 0 | 107.6 | I81 | I81-V83 HydrophobicContact CG2-CG2 4.3Š|
| 84 | T | 73 | Confident | 59.6 | Low | 119 Ų | 119 | 119 Ų | 119 | 73% | 0.73 | 72% | 0.719 | S | S | * | * | | | trans | -87 | 108.4 | 167 | 51.5 | 0 | 0 | 0 | 0 | 108 | S86 | T84-S86 PolarHBondContact O-N 3.11Š|
| 85 | C | 52.8 | Low | 58.9 | Low | 81 Ų | 81 | 122.5 Ų | 122.5 | 55% | 0.547 | 73% | 0.731 | S | S | . | * | | | trans | -72 | 108 | 168.7 | -61.8 | 0 | 0 | 0 | 0 | 108.4 | Y87 | C85-Y87 VanDerWaalsContact C-N 3.35Å; C85-Y87 HydrophobicContact CB-CE1 4.49Å; C85-Y87 HydrophobicContact CB-CE2 4.27Å; C85-Y87 WeakPolarHBondContact O-CD2 3.47Å; C85-Y87 PolarHBondContact O-N 2.95Å |
| 86 | S | 61 | Low | 57.8 | Low | 112 Ų | 112 | 122 Ų | 122 | 78% | 0.783 | 74% | 0.744 | S | S | * | * | | | trans | -71.6 | 95.4 | 162.8 | -58.9 | 0 | 0 | 0 | 0 | 107.4 | T84 | T84-S86 PolarHBondContact O-N 3.11Š|
| 87 | Y | 55.5 | Low | 56.5 | Low | 191 Ų | 191 | 118.6 Ų | 118.6 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | | | trans | -61.2 | 131.1 | 168.2 | -55.8 | -85.5 | 0 | 0 | 0 | 107.9 | C85 I89 | C85-Y87 VanDerWaalsContact C-N 3.35Å; C85-Y87 HydrophobicContact CB-CE1 4.49Å; C85-Y87 HydrophobicContact CB-CE2 4.27Å; C85-Y87 WeakPolarHBondContact O-CD2 3.47Å; C85-Y87 PolarHBondContact O-N 2.95Å; Y87-I89 PolarHBondContact O-N 3.47Å |
| 88 | P | 59.3 | Low | 54.7 | Low | 112 Ų | 112 | 123.1 Ų | 123.1 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | trans | -60.9 | 115.3 | 166.1 | 25.3 | -29.9 | 0 | 0 | 0 | 106.8 | C90 | P88-C90 PolarHBondContact O-N 3.33Š|
| 89 | I | 51.1 | Low | 53.3 | Low | 161 Ų | 161 | 122.6 Ų | 122.6 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | | | trans | -63 | 96 | 162.1 | -61.5 | 169.8 | 0 | 0 | 0 | 104.1 | Y87 P91 | Y87-I89 PolarHBondContact O-N 3.47Å; I89-P91 WeakPolarHBondContact O-CD 3.45Å |
| 90 | C | 44.2 | Very low | 51.6 | Low | 108 Ų | 108 | 122.4 Ų | 122.4 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | | | trans | -63 | 115.6 | 166.3 | -80.9 | 0 | 0 | 0 | 0 | 107.3 | P88 | P88-C90 PolarHBondContact O-N 3.33Š|
| 91 | P | 43.2 | Very low | 49.9 | Very low | 124 Ų | 124 | 120.8 Ų | 120.8 | 81% | 0.805 | 76% | 0.762 | S | S | * | * | | | trans | -83.5 | 118 | 164 | 31.3 | -19.9 | 0 | 0 | 0 | 107.4 | I89 | I89-P91 WeakPolarHBondContact O-CD 3.45Š|
| 92 | G | 36.4 | Very low | 48.5 | Very low | 61 Ų | 61 | 121.9 Ų | 121.9 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | | | trans | 114.6 | 110.6 | 164 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 93 | V | 44.6 | Very low | 46.9 | Very low | 137 Ų | 137 | 120.5 Ų | 120.5 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | S | Bend | | -168.1 | 56.7 | 102.2 | -84.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 94 | N | 46.1 | Very low | 45.7 | Very low | 154 Ų | 154 | 121.2 Ų | 121.2 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | | | trans | -142.7 | 99 | 176.9 | -55.9 | 67.1 | 0 | 0 | 0 | 109.5 | C96 | N94-C96 PolarHBondContact O-N 2.91Š|
| 95 | N | 39.3 | Very low | 44.1 | Very low | 165 Ų | 165 | 118.9 Ų | 118.9 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | | | trans | -29.2 | 118.4 | 165.6 | -73.7 | 8.4 | 0 | 0 | 0 | 113.8 | | |
| 96 | C | 38.1 | Very low | 43.5 | Very low | 133 Ų | 133 | 125.7 Ų | 125.7 | 90% | 0.899 | 81% | 0.806 | S | S | * | * | | | | -176.9 | 115 | 127.5 | -123.6 | 0 | 0 | 0 | 0 | 111.3 | N94 | N94-C96 PolarHBondContact O-N 2.91Š|
| 97 | G | 37.2 | Very low | 42.4 | Very low | 71 Ų | 71 | 123.7 Ų | 123.7 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | | | trans | 81.4 | 116.6 | 140.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 98 | S | 36.6 | Very low | 41.8 | Very low | 125 Ų | 125 | 123.6 Ų | 123.6 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | | | trans | 57.7 | 136.7 | 147.6 | -90.5 | 0 | 0 | 0 | 0 | 118.3 | | |
| 99 | S | 39.9 | Very low | 41.2 | Very low | 106 Ų | 106 | 123.7 Ų | 123.7 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | | | cis | -167.4 | 157.3 | 9 | -164.6 | 0 | 0 | 0 | 0 | 106.6 | | |
| 100 | V | 40.5 | Very low | 40.7 | Very low | 131 Ų | 131 | 120.8 Ų | 120.8 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | | | trans | -38.1 | 139.2 | 175.8 | -143.9 | 0 | 0 | 0 | 0 | 115.4 | | |
| 101 | A | 39.8 | Very low | 40.7 | Very low | 97 Ų | 97 | 120.8 Ų | 120.8 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | | | trans | 179.3 | 107.1 | 130.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 102 | T | 42.7 | Very low | 41.1 | Very low | 150 Ų | 150 | 120.1 Ų | 120.1 | 92% | 0.92 | 80% | 0.804 | S | S | * | * | | | trans | -67.9 | 138.8 | 157.5 | -45.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 103 | G | 39.3 | Very low | 42 | Very low | 73 Ų | 73 | 122.1 Ų | 122.1 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | | | trans | 166.4 | 105.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 104 | S | 39.7 | Very low | 42 | Very low | 135 Ų | 135 | 124.3 Ų | 124.3 | 94% | 0.944 | 81% | 0.806 | S | S | * | * | | | trans | -50.7 | 135.1 | 158.1 | 163.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 105 | G | 38.1 | Very low | 42.3 | Very low | 69 Ų | 69 | 126.1 Ų | 126.1 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | | | trans | 178.9 | 110.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G107 | G105-G107 PolarHBondContact O-N 3Š|
| 106 | K | 41.9 | Very low | 42.7 | Very low | 225 Ų | 225 | 123.2 Ų | 123.2 | 98% | 0.978 | 80% | 0.8 | S | S | * | * | | | trans | -50.8 | 131 | 165.7 | -74.7 | 169.1 | 167.4 | 176.4 | 0 | 110.5 | | |
| 107 | G | 38 | Very low | 42.9 | Very low | 70 Ų | 70 | 128.8 Ų | 128.8 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | | | trans | 173.9 | 100.5 | 168 | 0 | 0 | 0 | 0 | 0 | 112.5 | G105 | G105-G107 PolarHBondContact O-N 3Š|
| 108 | M | 42.3 | Very low | 43.2 | Very low | 188 Ų | 188 | 131.3 Ų | 131.3 | 93% | 0.926 | 81% | 0.808 | S | S | * | * | | | trans | -62.7 | 138.6 | 152.4 | -75.1 | 170.1 | 69.6 | 0 | 0 | 107.4 | | |
| 109 | P | 45.8 | Very low | 43.7 | Very low | 114 Ų | 114 | 130.8 Ų | 130.8 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | | | | -146.6 | 141.8 | 101.8 | 30.8 | -11.6 | 0 | 0 | 0 | 115.3 | | |
| 110 | S | 41.2 | Very low | 43.8 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | | | trans | 4.3 | 117 | 145.6 | 56.6 | 0 | 0 | 0 | 0 | 119.3 | | |
| 111 | S | 43.5 | Very low | 43.6 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | | | | 157.9 | 140.5 | 117.4 | 49.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 112 | P | 51.7 | Low | 43.7 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 71% | 0.714 | 80% | 0.804 | S | S | * | * | | | trans | -80.5 | 135.7 | -179.4 | 30.4 | -30.1 | 0 | 0 | 0 | 111 | H114 | P112-H114 PolarHBondContact O-N 2.95Š|
| 113 | P | 56.6 | Low | 44.3 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | | | trans | -72.3 | 121.5 | 171.9 | 28 | -30.4 | 0 | 0 | 0 | 110 | F115 | P113-F115 HydrophobicContact CG-CE2 4.26Å; P113-F115 PolarHBondContact O-N 3.15Å |
| 114 | H | 44.7 | Very low | 44.5 | Very low | 183 Ų | 183 | 135.8 Ų | 135.8 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | | | trans | -61.4 | 110.9 | 164.8 | -85.2 | -102 | 0 | 0 | 0 | 109.5 | P112 S116 | P112-H114 PolarHBondContact O-N 2.95Å; H114-S116 PolarHBondContact O-N 2.97Å |
| 115 | F | 51.3 | Low | 45.2 | Very low | 192 Ų | 192 | 135 Ų | 135 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | | | trans | -82.7 | 106.3 | 166.1 | -84.8 | -81.2 | 0 | 0 | 0 | 109.9 | P113 | P113-F115 HydrophobicContact CG-CE2 4.26Å; P113-F115 PolarHBondContact O-N 3.15Å |
| 116 | S | 48.3 | Very low | 45.8 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | trans | -56.7 | 130.1 | 169.4 | -47.8 | 0 | 0 | 0 | 0 | 111.2 | H114 S118 | H114-S116 PolarHBondContact O-N 2.97Å; S116-S118 PolarHBondContact O-N 2.98Å |
| 117 | R | 41.6 | Very low | 46 | Very low | 249 Ų | 249 | 131.9 Ų | 131.9 | 94% | 0.94 | 78% | 0.784 | S | S | * | * | | | trans | -34.4 | 117.9 | 165.6 | -90 | 169 | 145 | -171.2 | -5.6 | 112.2 | | |
| 118 | S | 44.2 | Very low | 46.2 | Very low | 124 Ų | 124 | 133 Ų | 133 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | | | trans | -101 | 123.2 | 151.2 | -66.7 | 0 | 0 | 0 | 0 | 108.6 | S116 | S116-S118 PolarHBondContact O-N 2.98Š|
| 119 | S | 46.1 | Very low | 46.8 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | trans | -65.2 | 164.4 | -179.1 | 45.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 120 | S | 41.6 | Very low | 46.7 | Very low | 98 Ų | 98 | 130 Ų | 130 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | | | trans | 87.9 | 76.7 | 162.9 | -167.9 | 0 | 0 | 0 | 0 | 115 | | |
| 121 | C | 36.5 | Very low | 47.1 | Very low | 112 Ų | 112 | 130 Ų | 130 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | | | | 58.9 | 76.3 | 80.8 | -59.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 122 | Y | 41.6 | Very low | 47.3 | Very low | 223 Ų | 223 | 128.8 Ų | 128.8 | 88% | 0.875 | 77% | 0.765 | S | S | * | * | | | trans | -142.9 | 101.7 | 138.5 | -88.6 | -78.9 | 0 | 0 | 0 | 109.2 | S124 | Y122-S124 PolarHBondContact O-N 3.28Š|
| 123 | P | 55.5 | Low | 47.4 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 117 | 160 | 28.8 | -26.1 | 0 | 0 | 0 | 108.1 | | |
| 124 | S | 43.8 | Very low | 47 | Very low | 108 Ų | 108 | 134.4 Ų | 134.4 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 134.8 | 167.2 | -163.5 | 0 | 0 | 0 | 0 | 108.9 | Y122 V126 | Y122-S124 PolarHBondContact O-N 3.28Å; S124-V126 PolarHBondContact O-N 3.41Å; S124-V126 VanDerWaalsContact O-N 3.07Å |
| 125 | P | 55.3 | Low | 47.3 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 118.7 | -175.2 | 24.2 | -31.4 | 0 | 0 | 0 | 109.9 | A127 | P125-A127 PolarHBondContact O-N 3.37Š|
| 126 | V | 50.2 | Low | 47.3 | Very low | 134 Ų | 134 | 128.7 Ų | 128.7 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | | | trans | -40.3 | 123.3 | 169.9 | -172.5 | 0 | 0 | 0 | 0 | 109.9 | S124 S128 | S124-V126 PolarHBondContact O-N 3.41Å; S124-V126 VanDerWaalsContact O-N 3.07Å; V126-S128 PolarHBondContact O-N 2.97Å |
| 127 | A | 45.7 | Very low | 47.3 | Very low | 93 Ų | 93 | 133 Ų | 133 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | | | trans | -57.8 | 103.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | P125 P129 | P125-A127 PolarHBondContact O-N 3.37Å; A127-P129 VanDerWaalsContact O-CD 3.29Å; A127-P129 WeakPolarHBondContact O-CD 3.44Å |
| 128 | S | 42.9 | Very low | 47.6 | Very low | 94 Ų | 94 | 125.8 Ų | 125.8 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | | | trans | -64.2 | 118.2 | 170.7 | 175.4 | 0 | 0 | 0 | 0 | 108 | V126 V130 | V126-S128 PolarHBondContact O-N 2.97Å; S128-V130 VanDerWaalsContact C-N 3.32Å; S128-V130 PolarHBondContact O-N 3.24Å |
| 129 | P | 55.5 | Low | 48.1 | Very low | 115 Ų | 115 | 125.7 Ų | 125.7 | 75% | 0.747 | 74% | 0.742 | S | S | * | * | | | trans | -67.4 | 102 | 163.7 | 28 | -28.8 | 0 | 0 | 0 | 106 | A127 S131 | A127-P129 VanDerWaalsContact O-CD 3.29Å; A127-P129 WeakPolarHBondContact O-CD 3.44Å; P129-S131 PolarHBondContact O-N 3.47Å |
| 130 | V | 43 | Very low | 48.1 | Very low | 123 Ų | 123 | 125.7 Ų | 125.7 | 75% | 0.745 | 74% | 0.742 | S | S | * | * | | | trans | -60 | 98.3 | 158.9 | 174.7 | 0 | 0 | 0 | 0 | 104.8 | S128 S132 | S128-V130 VanDerWaalsContact C-N 3.32Å; S128-V130 PolarHBondContact O-N 3.24Å; V130-S132 PolarHBondContact O-N 2.99Å |
| 131 | S | 48.9 | Very low | 48.7 | Very low | 101 Ų | 101 | 128.3 Ų | 128.3 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | | | trans | -63 | 75.2 | 165.6 | 172.9 | 0 | 0 | 0 | 0 | 107.6 | P129 R133 | P129-S131 PolarHBondContact O-N 3.47Å; S131-R133 VanDerWaalsContact C-N 3.26Å; S131-R133 PolarHBondContact O-N 2.99Å |
| 132 | S | 48.4 | Very low | 49.2 | Very low | 83 Ų | 83 | 129.1 Ų | 129.1 | 58% | 0.58 | 75% | 0.751 | S | S | * | * | | | trans | -66.6 | 93.1 | 161.9 | 177.5 | 0 | 0 | 0 | 0 | 106.2 | V130 V134 | V130-S132 PolarHBondContact O-N 2.99Å; S132-V134 PolarHBondContact O-N 3.09Å; S132-V134 WeakPolarHBondContact OG-CG2 3.34Å |
| 133 | R | 53.8 | Low | 49.2 | Very low | 229 Ų | 229 | 124.6 Ų | 124.6 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | | | trans | -63.3 | 80.1 | 160.1 | -79.9 | -179.9 | 175.5 | 167.5 | -1.6 | 106.9 | S131 Q135 | S131-R133 VanDerWaalsContact C-N 3.26Å; S131-R133 PolarHBondContact O-N 2.99Å; R133-Q135 VanDerWaalsContact C-N 3.3Å; R133-Q135 PolarHBondContact O-N 3.01Å; R133-Q135 VanDerWaalsContact O-N 3.14Å |
| 134 | V | 49.1 | Very low | 48.6 | Very low | 103 Ų | 103 | 123.5 Ų | 123.5 | 62% | 0.624 | 74% | 0.743 | S | S | * | * | | | trans | -75.5 | 95.6 | 159.5 | -166.8 | 0 | 0 | 0 | 0 | 104.9 | S132 C136 | S132-V134 PolarHBondContact O-N 3.09Å; S132-V134 WeakPolarHBondContact OG-CG2 3.34Å; V134-C136 VanDerWaalsContact C-N 3.28Å; V134-C136 PolarHBondContact O-N 3.46Å |
| 135 | Q | 51.1 | Low | 48.2 | Very low | 148 Ų | 148 | 124.6 Ų | 124.6 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | | | trans | -63.1 | 99 | 160 | -96.3 | 173.9 | -35.8 | 0 | 0 | 106.6 | R133 Y137 | R133-Q135 VanDerWaalsContact C-N 3.3Å; R133-Q135 PolarHBondContact O-N 3.01Å; R133-Q135 VanDerWaalsContact O-N 3.14Å; Q135-Y137 VanDerWaalsContact C-N 3.34Å; Q135-Y137 HydrophobicContact CB-CD2 4.42Å; Q135-Y137 HydrophobicContact CB-CE2 4.26Å; Q135-Y137 PolarHBondContact O-N 3.01Å |
| 136 | C | 50.4 | Low | 47.8 | Very low | 106 Ų | 106 | 125.5 Ų | 125.5 | 72% | 0.716 | 75% | 0.748 | S | S | * | * | | | trans | -64.9 | 98.9 | 166.3 | -61.6 | 0 | 0 | 0 | 0 | 107.4 | V134 S138 | V134-C136 VanDerWaalsContact C-N 3.28Å; V134-C136 PolarHBondContact O-N 3.46Å; C136-S138 PolarHBondContact O-N 2.72Å; C136-S138 VanDerWaalsContact O-N 3.15Å |
| 137 | Y | 47.6 | Very low | 47.3 | Very low | 195 Ų | 195 | 124 Ų | 124 | 77% | 0.765 | 74% | 0.743 | S | S | * | * | | | trans | -71.8 | 99.1 | 162.3 | -82 | -87.2 | 0 | 0 | 0 | 107.4 | Q135 P139 | Q135-Y137 VanDerWaalsContact C-N 3.34Å; Q135-Y137 HydrophobicContact CB-CD2 4.42Å; Q135-Y137 HydrophobicContact CB-CE2 4.26Å; Q135-Y137 PolarHBondContact O-N 3.01Å; Y137-P139 WeakPolarHBondContact O-CD 3.48Å |
| 138 | S | 48.9 | Very low | 47.3 | Very low | 98 Ų | 98 | 125.4 Ų | 125.4 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | | | trans | -67.4 | 119.1 | 163.8 | -60.9 | 0 | 0 | 0 | 0 | 108.1 | C136 S140 | C136-S138 PolarHBondContact O-N 2.72Å; C136-S138 VanDerWaalsContact O-N 3.15Å; S138-S140 PolarHBondContact O-N 3.26Å |
| 139 | P | 53.6 | Low | 47.2 | Very low | 122 Ų | 122 | 127 Ų | 127 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | | | trans | -71 | 101.5 | 170.2 | -3.6 | 20.4 | 0 | 0 | 0 | 107 | Y137 L141 | Y137-P139 WeakPolarHBondContact O-CD 3.48Å; P139-L141 PolarHBondContact O-N 3.14Å; P139-L141 VanDerWaalsContact O-N 3.09Å |
| 140 | S | 47 | Very low | 46.6 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | | | trans | -62.5 | 111.3 | 164.8 | -57 | 0 | 0 | 0 | 0 | 107.7 | S138 P142 | S138-S140 PolarHBondContact O-N 3.26Å; S140-P142 WeakPolarHBondContact O-CD 3.45Å |
| 141 | L | 53.5 | Low | 46.7 | Very low | 153 Ų | 153 | 131 Ų | 131 | 80% | 0.801 | 75% | 0.748 | S | S | * | * | | | trans | -56.5 | 123.6 | 169.4 | -69.5 | 164.7 | 0 | 0 | 0 | 108.5 | P139 T143 | P139-L141 PolarHBondContact O-N 3.14Å; P139-L141 VanDerWaalsContact O-N 3.09Å; L141-T143 PolarHBondContact O-N 3.19Å |
| 142 | P | 48.7 | Very low | 46.4 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | | | trans | -73.6 | 99.4 | 172.7 | 28.1 | -30.4 | 0 | 0 | 0 | 108.9 | S140 | S140-P142 WeakPolarHBondContact O-CD 3.45Š|
| 143 | T | 39.7 | Very low | 46.3 | Very low | 129 Ų | 129 | 143 Ų | 143 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | trans | -73.7 | 135.3 | 160.4 | 48.9 | 0 | 0 | 0 | 0 | 109.3 | L141 | L141-T143 PolarHBondContact O-N 3.19Š|
| 144 | S | 43 | Very low | 45.7 | Very low | 97 Ų | 97 | 137.3 Ų | 137.3 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | | | trans | 91.2 | 90.2 | 158.3 | -131.8 | 0 | 0 | 0 | 0 | 118.6 | V146 | S144-V146 PolarHBondContact O-N 3.31Š|
| 145 | T | 37.1 | Very low | 45.5 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | | 33.2 | 71 | 117.9 | 60.2 | 0 | 0 | 0 | 0 | 118.7 | | |
| 146 | V | 45.2 | Very low | 45.4 | Very low | 138 Ų | 138 | 139.6 Ų | 139.6 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | | | trans | -148 | 126.6 | 149 | -172.2 | 0 | 0 | 0 | 0 | 110 | S144 | S144-V146 PolarHBondContact O-N 3.31Š|
| 147 | S | 40.7 | Very low | 44.6 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | | | trans | -40.5 | 135.6 | 173.9 | 165.4 | 0 | 0 | 0 | 0 | 115.4 | N149 | S147-N149 PolarHBondContact O-N 3.3Š|
| 148 | P | 46 | Very low | 44.3 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | | | trans | -88.6 | 106.7 | 170.6 | 32.7 | -26.9 | 0 | 0 | 0 | 110.9 | | |
| 149 | N | 39.8 | Very low | 44.1 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 67% | 0.674 | 80% | 0.799 | S | S | * | * | | | trans | -83.5 | 117.7 | 163.2 | -174.6 | -20 | 0 | 0 | 0 | 109 | S147 R151 | S147-N149 PolarHBondContact O-N 3.3Å; N149-R151 PolarHBondContact O-N 3.3Å |
| 150 | P | 42.7 | Very low | 43.7 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | | | trans | -91.1 | 90.1 | -177.7 | 34.5 | -28.2 | 0 | 0 | 0 | 109.2 | | |
| 151 | R | 46.5 | Very low | 44.3 | Very low | 203 Ų | 203 | 132.1 Ų | 132.1 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | | | trans | -147.1 | 110.9 | 167.7 | -111.9 | -178.8 | -102.6 | -167.3 | -4.8 | 112.3 | N149 | N149-R151 PolarHBondContact O-N 3.3Š|
| 152 | R | 41.7 | Very low | 44.2 | Very low | 216 Ų | 216 | 132.6 Ų | 132.6 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | | | trans | 71.5 | 104.4 | 151.9 | -59.1 | -174.4 | 177.2 | -179.7 | -0.7 | 118.1 | | |
| 153 | F | 46 | Very low | 44.3 | Very low | 218 Ų | 218 | 134 Ų | 134 | 96% | 0.956 | 80% | 0.797 | S | S | * | * | | | trans | -136.9 | 114.2 | 139.9 | -75.7 | -73.9 | 0 | 0 | 0 | 109.8 | | |
| 154 | S | 42.7 | Very low | 44.6 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | | | trans | -102.8 | 144.3 | 168.5 | -55.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 155 | N | 43.1 | Very low | 44.7 | Very low | 154 Ų | 154 | 134.3 Ų | 134.3 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | | | trans | 67.2 | 95.7 | 161.8 | -70.2 | 2.7 | 0 | 0 | 0 | 119 | | |
| 156 | T | 48.7 | Very low | 44.9 | Very low | 145 Ų | 145 | 133.2 Ų | 133.2 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | | | | -162.1 | 135.1 | 117.8 | 18.7 | 0 | 0 | 0 | 0 | 109 | G158 | T156-G158 PolarHBondContact O-N 3.24Š|
| 157 | G | 35.6 | Very low | 44.7 | Very low | 92 Ų | 92 | 130.1 Ų | 130.1 | 95% | 0.948 | 79% | 0.791 | S | S | * | * | | | trans | -56.5 | 123.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 158 | G | 40.3 | Very low | 44.9 | Very low | 64 Ų | 64 | 131.4 Ų | 131.4 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | | | trans | -158.5 | 119.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | T156 S160 | T156-G158 PolarHBondContact O-N 3.24Å; G158-S160 PolarHBondContact O-N 3.26Å; G158-S160 VanDerWaalsContact O-N 3.16Å |
| 159 | A | 44.5 | Very low | 44.7 | Very low | 102 Ų | 102 | 129.7 Ų | 129.7 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 118.5 | -174 | 0 | 0 | 0 | 0 | 0 | 111.2 | P161 | A159-P161 WeakPolarHBondContact O-CD 3.45Š|
| 160 | S | 46.1 | Very low | 45.5 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63 | 124.7 | 170.2 | -53.7 | 0 | 0 | 0 | 0 | 108.7 | G158 L162 | G158-S160 PolarHBondContact O-N 3.26Å; G158-S160 VanDerWaalsContact O-N 3.16Å; S160-L162 PolarHBondContact O-N 3.18Å |
| 161 | P | 58.4 | Low | 46.3 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 122.2 | 160.8 | 27.2 | -30.2 | 0 | 0 | 0 | 106.3 | A159 L163 | A159-P161 WeakPolarHBondContact O-CD 3.45Å; P161-L163 PolarHBondContact O-N 3.26Å |
| 162 | L | 51 | Low | 46.6 | Very low | 162 Ų | 162 | 137.1 Ų | 137.1 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | | | trans | -51.1 | 108.6 | 168.8 | -73.1 | 167.2 | 0 | 0 | 0 | 107.2 | S160 V164 | S160-L162 PolarHBondContact O-N 3.18Å; L162-V164 VanDerWaalsContact C-N 3.3Å; L162-V164 PolarHBondContact O-N 2.94Å |
| 163 | L | 50.9 | Low | 47 | Very low | 160 Ų | 160 | 130.5 Ų | 130.5 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | | | trans | -60.6 | 101.2 | 166.2 | -70.4 | 171.2 | 0 | 0 | 0 | 105.8 | P161 S165 | P161-L163 PolarHBondContact O-N 3.26Å; L163-S165 PolarHBondContact O-N 3.27Å |
| 164 | V | 47.6 | Very low | 47.3 | Very low | 133 Ų | 133 | 127.8 Ų | 127.8 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | | | trans | -69 | 92.2 | 164.9 | -179.8 | 0 | 0 | 0 | 0 | 105.2 | L162 A166 | L162-V164 VanDerWaalsContact C-N 3.3Å; L162-V164 PolarHBondContact O-N 2.94Å; V164-A166 VanDerWaalsContact C-N 3.34Å; V164-A166 PolarHBondContact O-N 3.47Å |
| 165 | S | 44.7 | Very low | 47.8 | Very low | 98 Ų | 98 | 130.3 Ų | 130.3 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | | | trans | -54.9 | 102.1 | 163.4 | -59.9 | 0 | 0 | 0 | 0 | 107.8 | L163 A167 | L163-S165 PolarHBondContact O-N 3.27Å; S165-A167 PolarHBondContact O-N 3.34Å |
| 166 | A | 40.3 | Very low | 47.4 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -69.9 | 71.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | V164 | V164-A166 VanDerWaalsContact C-N 3.34Å; V164-A166 PolarHBondContact O-N 3.47Å |
| 167 | A | 41.5 | Very low | 47.2 | Very low | 74 Ų | 74 | 127.1 Ų | 127.1 | 61% | 0.612 | 79% | 0.785 | S | S | * | * | | | trans | -156.6 | 57.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | S165 | S165-A167 PolarHBondContact O-N 3.34Š|
| 168 | L | 44.4 | Very low | 47.7 | Very low | 128 Ų | 128 | 129 Ų | 129 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | | | trans | -162.3 | 69.1 | 165.1 | -129.8 | 88.4 | 0 | 0 | 0 | 112.6 | R170 | L168-R170 HydrophobicContact CG-CB 4.49Å; L168-R170 HydrophobicContact CG-CG 4.32Å; L168-R170 PolarHBondContact O-N 3.37Å |
| 169 | G | 41.6 | Very low | 47.6 | Very low | 88 Ų | 88 | 131.9 Ų | 131.9 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | | | trans | -75.1 | 50.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | K171 | G169-K171 PolarHBondContact O-N 3.33Š|
| 170 | R | 56.6 | Low | 47.2 | Very low | 203 Ų | 203 | 130.5 Ų | 130.5 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | | | trans | -86.2 | 107 | 171.2 | -77 | -168.3 | -115 | -156.3 | -1.8 | 109.1 | L168 R172 | L168-R170 HydrophobicContact CG-CB 4.49Å; L168-R170 HydrophobicContact CG-CG 4.32Å; L168-R170 PolarHBondContact O-N 3.37Å; R170-R172 PolarHBondContact O-N 3.35Å; R170-R172 VanDerWaalsContact O-N 3.08Å |
| 171 | K | 59.3 | Low | 46.9 | Very low | 207 Ų | 207 | 129.2 Ų | 129.2 | 90% | 0.9 | 79% | 0.787 | S | S | * | * | | | trans | -58.6 | 105.3 | 173.7 | -162.6 | -179 | -177.2 | -174.9 | 0 | 110 | G169 G173 | G169-K171 PolarHBondContact O-N 3.33Å; K171-G173 PolarHBondContact O-N 3.31Å |
| 172 | R | 52.7 | Low | 46.1 | Very low | 197 Ų | 197 | 128.6 Ų | 128.6 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | | | trans | 1.1 | 97.1 | 152.4 | -149.8 | 175.4 | -164.2 | -159.9 | 10 | 115.3 | R170 Y174 | R170-R172 PolarHBondContact O-N 3.35Å; R170-R172 VanDerWaalsContact O-N 3.08Å; R172-Y174 HydrophobicContact CG-CD2 4.08Å; R172-Y174 HydrophobicContact CG-CE2 3.66Å; R172-Y174 PolarHBondContact NE-OH 3.02Å; R172-Y174 VanDerWaalsContact NE-OH 3.16Å; R172-Y174 PolarHBondContact NH1-OH 3.47Å; R172-Y174 PolarHBondContact NH2-OH 3.1Å |
| 173 | G | 50.8 | Low | 45.7 | Very low | 77 Ų | 77 | 124.9 Ų | 124.9 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | | | trans | -90.7 | 133.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | K171 | K171-G173 PolarHBondContact O-N 3.31Š|
| 174 | Y | 52.7 | Low | 45.4 | Very low | 160 Ų | 160 | 122.4 Ų | 122.4 | 63% | 0.627 | 79% | 0.789 | S | S | * | * | | | trans | -107.8 | 132.3 | 177.2 | -88.7 | -80.1 | 0 | 0 | 0 | 110.1 | R172 | R172-Y174 HydrophobicContact CG-CD2 4.08Å; R172-Y174 HydrophobicContact CG-CE2 3.66Å; R172-Y174 PolarHBondContact NE-OH 3.02Å; R172-Y174 VanDerWaalsContact NE-OH 3.16Å; R172-Y174 PolarHBondContact NH1-OH 3.47Å; R172-Y174 PolarHBondContact NH2-OH 3.1Å |
| 175 | L | 52.6 | Low | 45.4 | Very low | 163 Ų | 163 | 121.2 Ų | 121.2 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | trans | 75.8 | 96.5 | 160.3 | -55.7 | 171.7 | 0 | 0 | 0 | 117.1 | | |
| 176 | S | 34.9 | Very low | 45.4 | Very low | 108 Ų | 108 | 124 Ų | 124 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | | | trans | -92.8 | 124.8 | 151.1 | 174.7 | 0 | 0 | 0 | 0 | 108 | | |
| 177 | C | 44.9 | Very low | 45.8 | Very low | 125 Ų | 125 | 126.5 Ų | 126.5 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | | | trans | -124.1 | 136.1 | 151.6 | -65.6 | 0 | 0 | 0 | 0 | 107.3 | | |
| 178 | V | 45.3 | Very low | 45.8 | Very low | 130 Ų | 130 | 126.9 Ų | 126.9 | 79% | 0.788 | 79% | 0.794 | S | S | * | * | | | trans | -85.2 | 158.3 | -162.1 | -158.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 179 | S | 38.7 | Very low | 46.3 | Very low | 126 Ų | 126 | 125.8 Ų | 125.8 | 88% | 0.881 | 80% | 0.798 | S | S | * | * | | | trans | 81.4 | 128.7 | 157.5 | -144.8 | 0 | 0 | 0 | 0 | 115.1 | | |
| 180 | G | 37.1 | Very low | 46.9 | Very low | 72 Ų | 72 | 132.2 Ų | 132.2 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | | | cis | 164.1 | 139.7 | 8.5 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 181 | G | 38.2 | Very low | 46.5 | Very low | 81 Ų | 81 | 131.9 Ų | 131.9 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | | | trans | 85.9 | 153.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 182 | A | 43 | Very low | 45.8 | Very low | 101 Ų | 101 | 125.8 Ų | 125.8 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | | | cis | -176.4 | 128.6 | -16.6 | 0 | 0 | 0 | 0 | 0 | 104.5 | | |
| 183 | G | 42.4 | Very low | 45.4 | Very low | 84 Ų | 84 | 121 Ų | 121 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | | | trans | 63.5 | 170.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 184 | S | 44.7 | Very low | 45.8 | Very low | 108 Ų | 108 | 123.5 Ų | 123.5 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | | | cis | -178.3 | 150.6 | -8 | 174.3 | 0 | 0 | 0 | 0 | 105.7 | | |
| 185 | S | 46.8 | Very low | 45.2 | Very low | 108 Ų | 108 | 124.8 Ų | 124.8 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | | | trans | 72.5 | 134.6 | 159.8 | 54.7 | 0 | 0 | 0 | 0 | 121.4 | | |
| 186 | D | 44.4 | Very low | 45.1 | Very low | 156 Ų | 156 | 123 Ų | 123 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | | | trans | -52.5 | 149.3 | 176.3 | -53.6 | -82.6 | 0 | 0 | 0 | 115.2 | | |
| 187 | D | 50.3 | Low | 45.6 | Very low | 161 Ų | 161 | 123.1 Ų | 123.1 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | | | trans | -154.8 | 132.4 | 135.3 | -137.3 | -52.6 | 0 | 0 | 0 | 110.9 | | |
| 188 | A | 40.7 | Very low | 45.5 | Very low | 81 Ų | 81 | 123.4 Ų | 123.4 | 67% | 0.669 | 81% | 0.812 | S | S | * | * | | | trans | -89 | 127 | 178.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 189 | S | 55.7 | Low | 45.2 | Very low | 106 Ų | 106 | 122 Ų | 122 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | | | trans | -178.5 | 132.3 | 155 | -93.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 190 | R | 53.3 | Low | 45.6 | Very low | 223 Ų | 223 | 125 Ų | 125 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | | | trans | 79.7 | 93.7 | 139.7 | -68.8 | 176.2 | 163.8 | -166.6 | -5.3 | 119.2 | | |
| 191 | E | 48 | Very low | 46 | Very low | 195 Ų | 195 | 132 Ų | 132 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | | | | 39.7 | 121.8 | 110.4 | -56.7 | 179.3 | -166.5 | 0 | 0 | 118.7 | | |
| 192 | G | 43.8 | Very low | 46.3 | Very low | 80 Ų | 80 | 134.7 Ų | 134.7 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | | | trans | -174.9 | 88.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 193 | S | 45.8 | Very low | 46.2 | Very low | 96 Ų | 96 | 137.5 Ų | 137.5 | 67% | 0.671 | 81% | 0.807 | S | S | * | * | | | trans | -64.8 | 172.9 | 168.3 | -166 | 0 | 0 | 0 | 0 | 112.1 | E195 | S193-E195 PolarHBondContact OG-N 3.23Š|
| 194 | P | 58.7 | Low | 46.2 | Very low | 129 Ų | 129 | 143 Ų | 143 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | | | | -147.7 | 134.2 | 89.2 | 34.2 | -14.7 | 0 | 0 | 0 | 115.7 | | |
| 195 | E | 39.1 | Very low | 46.2 | Very low | 187 Ų | 187 | 143.1 Ų | 143.1 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -80 | 139.8 | 158 | -60.1 | -177.2 | 122.6 | 0 | 0 | 110 | S193 | S193-E195 PolarHBondContact OG-N 3.23Š|
| 196 | S | 51.8 | Low | 46 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 123.4 | -176.7 | 51.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 197 | S | 44.8 | Very low | 45.8 | Very low | 111 Ų | 111 | 140.8 Ų | 140.8 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 143.6 | 172 | 52.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 198 | C | 42.8 | Very low | 45.4 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | | | | -160.9 | 141.7 | 123.8 | -151.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 199 | C | 40.2 | Very low | 45.3 | Very low | 100 Ų | 100 | 144.6 Ų | 144.6 | 68% | 0.676 | 81% | 0.807 | S | S | * | * | | | trans | -78.6 | 144.6 | -168.9 | -48.6 | 0 | 0 | 0 | 0 | 113.7 | | |
| 200 | H | 46.6 | Very low | 44.6 | Very low | 189 Ų | 189 | 146.1 Ų | 146.1 | 88% | 0.875 | 81% | 0.806 | S | S | * | * | | | | 174.9 | 152.7 | 108.5 | -98.1 | -54.7 | 0 | 0 | 0 | 112.8 | | |
| 201 | R | 45.6 | Very low | 44.1 | Very low | 219 Ų | 219 | 140.8 Ų | 140.8 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | | | trans | -76.1 | 156.1 | -164.9 | -66.5 | 174.6 | -167.4 | -168.2 | 1.1 | 114.3 | | |
| 202 | N | 44.4 | Very low | 43.8 | Very low | 139 Ų | 139 | 141.4 Ų | 141.4 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | | | trans | 65.7 | 107.2 | 146.4 | -68.9 | 5 | 0 | 0 | 0 | 118.3 | | |
| 203 | N | 40.4 | Very low | 43.8 | Very low | 160 Ų | 160 | 144.6 Ų | 144.6 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | | | | -177.4 | 150.3 | 92.4 | -103.4 | -9.3 | 0 | 0 | 0 | 112.4 | | |
| 204 | K | 43.2 | Very low | 43.6 | Very low | 199 Ų | 199 | 146.8 Ų | 146.8 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | | | trans | -73.7 | 136 | -178.2 | -64.7 | 165.4 | 164.6 | -179.2 | 0 | 112.4 | | |
| 205 | S | 43.8 | Very low | 42.9 | Very low | 110 Ų | 110 | 145 Ų | 145 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | | | trans | 164.1 | 107.6 | 138.9 | 53.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 206 | S | 41.9 | Very low | 43 | Very low | 104 Ų | 104 | 144 Ų | 144 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | | 63.8 | 118.6 | 68 | -160 | 0 | 0 | 0 | 0 | 113.3 | | |
| 207 | C | 40.7 | Very low | 42.7 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 75% | 0.75 | 79% | 0.785 | S | S | * | * | | | trans | 72.9 | 144.5 | 162.8 | -52.1 | 0 | 0 | 0 | 0 | 114.9 | | |
| 208 | Q | 41.6 | Very low | 42.6 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | | | cis | -179.2 | 148.4 | -3.2 | 172.9 | 173.2 | 4.2 | 0 | 0 | 103.9 | D210 | Q208-D210 PolarHBondContact O-N 3.32Š|
| 209 | N | 38.5 | Very low | 42.7 | Very low | 159 Ų | 159 | 143.6 Ų | 143.6 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | | | trans | -59.1 | 122.6 | 168.8 | -90.5 | -55.8 | 0 | 0 | 0 | 110.3 | | |
| 210 | D | 40.9 | Very low | 43 | Very low | 137 Ų | 137 | 143.5 Ų | 143.5 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | | | trans | -142.3 | 107.1 | 159.7 | -102.1 | -42.3 | 0 | 0 | 0 | 106.1 | Q208 | Q208-D210 PolarHBondContact O-N 3.32Š|
| 211 | V | 44.1 | Very low | 42.9 | Very low | 112 Ų | 112 | 144.8 Ų | 144.8 | 68% | 0.679 | 78% | 0.781 | S | S | * | * | | | | 52.6 | 97.1 | 78.2 | -174.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 212 | R | 42 | Very low | 43 | Very low | 208 Ų | 208 | 140.2 Ų | 140.2 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | | | trans | 57.2 | 108.3 | 130.1 | -158.5 | -172.1 | -65 | -158.3 | -0.4 | 116.7 | | |
| 213 | M | 42.6 | Very low | 43 | Very low | 147 Ų | 147 | 142.6 Ų | 142.6 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | | | | 161.2 | 98.3 | 122.3 | -82.6 | -52.5 | 176 | 0 | 0 | 108.8 | | |
| 214 | C | 42.1 | Very low | 43.7 | Very low | 141 Ų | 141 | 144 Ų | 144 | 95% | 0.953 | 79% | 0.788 | S | S | * | * | | | trans | -104.4 | 101.4 | 156.7 | -68.7 | 0 | 0 | 0 | 0 | 107 | | |
| 215 | S | 44.9 | Very low | 44.8 | Very low | 92 Ų | 92 | 139.2 Ų | 139.2 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | | | trans | -99.8 | 140.5 | 165.9 | -59.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 216 | N | 41 | Very low | 45.4 | Very low | 167 Ų | 167 | 144.9 Ų | 144.9 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | | | trans | 81.8 | 104.2 | 159.9 | -64 | 8.9 | 0 | 0 | 0 | 117.9 | | |
| 217 | G | 44.3 | Very low | 45.9 | Very low | 68 Ų | 68 | 148.7 Ų | 148.7 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | trans | 178.3 | 66.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 218 | T | 43.5 | Very low | 46.7 | Very low | 140 Ų | 140 | 154.8 Ų | 154.8 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | | | trans | 39.1 | 92.8 | 147.3 | 47.9 | 0 | 0 | 0 | 0 | 118.4 | | |
| 219 | N | 44.1 | Very low | 47.2 | Very low | 149 Ų | 149 | 156.5 Ų | 156.5 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | | | trans | -166.1 | 110.3 | 136.7 | -141.1 | -21 | 0 | 0 | 0 | 111.1 | | |
| 220 | P | 47.5 | Very low | 48.6 | Very low | 99 Ų | 99 | 153.5 Ų | 153.5 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | | | trans | -82 | 147.1 | 164.1 | 33.9 | -27.3 | 0 | 0 | 0 | 108.3 | | |
| 221 | Y | 43.8 | Very low | 49.6 | Very low | 216 Ų | 216 | 151.5 Ų | 151.5 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 86.7 | 81.3 | -175.5 | -60.8 | -87.7 | 0 | 0 | 0 | 115.3 | | |
| 222 | S | 47.4 | Very low | 50.2 | Low | 122 Ų | 122 | 151.9 Ų | 151.9 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | trans | 170.8 | 76.5 | 132.8 | -74.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 223 | E | 44 | Very low | 51.2 | Low | 190 Ų | 190 | 149.5 Ų | 149.5 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | | | trans | -93.8 | 93.1 | 172.3 | -164.3 | 171.5 | -159.1 | 0 | 0 | 108.4 | | |
| 224 | F | 56.4 | Low | 52 | Low | 188 Ų | 188 | 147.5 Ų | 147.5 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | | | trans | -122.1 | 121.5 | 158.2 | -86.2 | -77.9 | 0 | 0 | 0 | 107.7 | Y226 | F224-Y226 PolarHBondContact O-N 3.34Š|
| 225 | P | 66.2 | Low | 52.9 | Low | 100 Ų | 100 | 147.4 Ų | 147.4 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | | | trans | -70.4 | 121.3 | -178.4 | 27.7 | -31.7 | 0 | 0 | 0 | 109.4 | F227 | P225-F227 PolarHBondContact O-N 3.02Š|
| 226 | Y | 55.9 | Low | 53.1 | Low | 229 Ų | 229 | 148.8 Ų | 148.8 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | | | trans | -58.4 | 103.1 | 167.9 | -76.6 | -89.6 | 0 | 0 | 0 | 109.3 | F224 R228 | F224-Y226 PolarHBondContact O-N 3.34Å; Y226-R228 PolarHBondContact O-N 3.43Å |
| 227 | F | 52.7 | Low | 53.5 | Low | 183 Ų | 183 | 145.7 Ų | 145.7 | 80% | 0.803 | 78% | 0.776 | S | S | * | * | | | trans | -62.7 | 100.9 | 166.2 | -94.4 | -91.7 | 0 | 0 | 0 | 109 | P225 W229 | P225-F227 PolarHBondContact O-N 3.02Å; F227-W229 PolarHBondContact O-N 3.32Å |
| 228 | R | 58.3 | Low | 54.1 | Low | 240 Ų | 240 | 147.6 Ų | 147.6 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | | | trans | -86.8 | 85.4 | 172.7 | -157.1 | 176.1 | -163.6 | -109.8 | 4.4 | 108.6 | Y226 | Y226-R228 PolarHBondContact O-N 3.43Š|
| 229 | W | 51.5 | Low | 54.8 | Low | 199 Ų | 199 | 146.7 Ų | 146.7 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 138.7 | 174.1 | -129.7 | 93.3 | 0 | 0 | 0 | 110.1 | F227 | F227-W229 PolarHBondContact O-N 3.32Š|
| 230 | P | 67.8 | Low | 55.4 | Low | 97 Ų | 97 | 145.3 Ų | 145.3 | 63% | 0.63 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | cis | -96.1 | 155.8 | 0.4 | 0.5 | 20.5 | 0 | 0 | 0 | 114 | | |
| 231 | P | 61.2 | Low | 55.9 | Low | 95 Ų | 95 | 145.8 Ų | 145.8 | 62% | 0.617 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 135.6 | 164.9 | 29.1 | -31 | 0 | 0 | 0 | 110.3 | L233 | P231-L233 PolarHBondContact O-N 3.34Š|
| 232 | S | 57.2 | Low | 56.2 | Low | 119 Ų | 119 | 141 Ų | 141 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 124.6 | 173.3 | 43.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 233 | L | 61.8 | Low | 56.2 | Low | 159 Ų | 159 | 140.3 Ų | 140.3 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 143.9 | 178.1 | -69.2 | 171.5 | 0 | 0 | 0 | 111.3 | P231 | P231-L233 PolarHBondContact O-N 3.34Š|
| 234 | P | 61.1 | Low | 56.3 | Low | 105 Ų | 105 | 136.7 Ų | 136.7 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 138.7 | 174.1 | 26 | -32.4 | 0 | 0 | 0 | 110.4 | V236 | P234-V236 PolarHBondContact O-N 3.17Š|
| 235 | V | 60.8 | Low | 55.6 | Low | 139 Ų | 139 | 136 Ų | 136 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | | | trans | -62.2 | 100.1 | 170.9 | 174.6 | 0 | 0 | 0 | 0 | 107.9 | S237 | V235-S237 PolarHBondContact O-N 3.16Š|
| 236 | V | 49.5 | Very low | 54.9 | Low | 120 Ų | 120 | 138.7 Ų | 138.7 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | trans | -85.4 | 108 | 171.2 | 180 | 0 | 0 | 0 | 0 | 107.7 | P234 S238 | P234-V236 PolarHBondContact O-N 3.17Å; V236-S238 PolarHBondContact O-N 3.47Å |
| 237 | S | 48.2 | Very low | 54.8 | Low | 103 Ų | 103 | 137 Ų | 137 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 117.3 | 169.2 | -53.7 | 0 | 0 | 0 | 0 | 109.6 | V235 | V235-S237 PolarHBondContact O-N 3.16Š|
| 238 | S | 56.7 | Low | 53.9 | Low | 108 Ų | 108 | 133.6 Ų | 133.6 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 131.5 | 176.5 | -48 | 0 | 0 | 0 | 0 | 111.3 | V236 | V236-S238 PolarHBondContact O-N 3.47Š|
| 239 | P | 58.8 | Low | 53.2 | Low | 120 Ų | 120 | 128 Ų | 128 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 133.9 | 167 | 28.8 | -30.8 | 0 | 0 | 0 | 109.4 | S241 | P239-S241 PolarHBondContact O-N 2.88Š|
| 240 | S | 57.4 | Low | 52.6 | Low | 120 Ų | 120 | 124.4 Ų | 124.4 | 84% | 0.839 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 121.7 | 175.1 | -56.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 241 | S | 56.9 | Low | 51.5 | Low | 110 Ų | 110 | 125.3 Ų | 125.3 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 140.7 | 176.3 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | P239 S243 | P239-S241 PolarHBondContact O-N 2.88Å; S241-S243 PolarHBondContact O-N 2.88Å |
| 242 | P | 50.9 | Low | 50.6 | Low | 116 Ų | 116 | 128.7 Ų | 128.7 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 125.5 | 176.7 | 29.1 | -31.9 | 0 | 0 | 0 | 109.7 | C244 | P242-C244 PolarHBondContact O-N 3.23Š|
| 243 | S | 47.9 | Very low | 49.6 | Very low | 107 Ų | 107 | 128.5 Ų | 128.5 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | -73.2 | 102.1 | 174.2 | -168 | 0 | 0 | 0 | 0 | 109.3 | S241 Q245 | S241-S243 PolarHBondContact O-N 2.88Å; S243-Q245 PolarHBondContact O-N 2.91Å; S243-Q245 VanDerWaalsContact O-N 3.16Å |
| 244 | C | 44.3 | Very low | 48.8 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | | | trans | -75.8 | 96.8 | 167.3 | -65 | 0 | 0 | 0 | 0 | 108.7 | P242 L246 | P242-C244 PolarHBondContact O-N 3.23Å; C244-L246 PolarHBondContact O-N 3.25Å |
| 245 | Q | 43 | Very low | 47.9 | Very low | 175 Ų | 175 | 126.7 Ų | 126.7 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -69.4 | 95.9 | 163.8 | -67.8 | -167 | -6.2 | 0 | 0 | 108.6 | S243 F247 | S243-Q245 PolarHBondContact O-N 2.91Å; S243-Q245 VanDerWaalsContact O-N 3.16Å; Q245-F247 PolarHBondContact O-N 2.84Å |
| 246 | L | 50.8 | Low | 47.3 | Very low | 155 Ų | 155 | 125.5 Ų | 125.5 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | | | trans | -67.9 | 124.8 | 163.7 | -88.3 | 157.6 | 0 | 0 | 0 | 108.4 | C244 S248 | C244-L246 PolarHBondContact O-N 3.25Å; L246-S248 PolarHBondContact O-N 3.29Å |
| 247 | F | 53 | Low | 47 | Very low | 194 Ų | 194 | 125.2 Ų | 125.2 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | trans | -44.7 | 117.6 | 176 | -68.8 | -92.5 | 0 | 0 | 0 | 112.5 | Q245 V249 | Q245-F247 PolarHBondContact O-N 2.84Å; F247-V249 PolarHBondContact O-N 3.22Å; F247-V249 VanDerWaalsContact O-N 3.17Å |
| 248 | S | 35.6 | Very low | 46.8 | Very low | 111 Ų | 111 | 124.8 Ų | 124.8 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | trans | -75.9 | 92.7 | 164.5 | -62.4 | 0 | 0 | 0 | 0 | 109.1 | L246 T250 | L246-S248 PolarHBondContact O-N 3.29Å; S248-T250 PolarHBondContact O-N 3.16Å |
| 249 | V | 43.7 | Very low | 46.6 | Very low | 123 Ų | 123 | 127 Ų | 127 | 75% | 0.745 | 78% | 0.78 | S | S | * | * | | | trans | -79.3 | 97.6 | 161.6 | 175.8 | 0 | 0 | 0 | 0 | 107.4 | F247 T251 | F247-V249 PolarHBondContact O-N 3.22Å; F247-V249 VanDerWaalsContact O-N 3.17Å; V249-T251 HydrophobicContact CG1-CG2 4.18Å; V249-T251 PolarHBondContact O-N 2.88Å |
| 250 | T | 37.6 | Very low | 46.5 | Very low | 123 Ų | 123 | 126.7 Ų | 126.7 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | | | trans | -75.8 | 101.7 | 167.1 | 34.1 | 0 | 0 | 0 | 0 | 109.2 | S248 | S248-T250 PolarHBondContact O-N 3.16Š|
| 251 | T | 44.7 | Very low | 46.3 | Very low | 117 Ų | 117 | 127.1 Ų | 127.1 | 72% | 0.718 | 78% | 0.778 | S | S | * | * | | | trans | -111.1 | 99.1 | 158 | 48.7 | 0 | 0 | 0 | 0 | 108.2 | V249 S253 | V249-T251 HydrophobicContact CG1-CG2 4.18Å; V249-T251 PolarHBondContact O-N 2.88Å; T251-S253 PolarHBondContact O-N 2.98Å |
| 252 | N | 42.6 | Very low | 45.7 | Very low | 165 Ų | 165 | 126.9 Ų | 126.9 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | | | trans | -58.9 | 118.3 | 169 | -88.2 | -1.9 | 0 | 0 | 0 | 109.7 | | |
| 253 | S | 36.8 | Very low | 45.6 | Very low | 115 Ų | 115 | 126 Ų | 126 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | -108.2 | 121.2 | 166.4 | 57.3 | 0 | 0 | 0 | 0 | 109.6 | T251 | T251-S253 PolarHBondContact O-N 2.98Š|
| 254 | S | 43.8 | Very low | 45.5 | Very low | 109 Ų | 109 | 129.6 Ų | 129.6 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | trans | -155.5 | 89.4 | 159.1 | 52 | 0 | 0 | 0 | 0 | 110.3 | | |
| 255 | S | 42.9 | Very low | 45.6 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | 50.5 | 167 | 130.2 | -49 | 0 | 0 | 0 | 0 | 121.8 | | |
| 256 | P | 48.3 | Very low | 45.9 | Very low | 115 Ų | 115 | 129.1 Ų | 129.1 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | | | | -134.8 | -166.3 | -58.5 | 39.6 | -21.7 | 0 | 0 | 0 | 111.8 | | |
| 257 | S | 43.4 | Very low | 45.6 | Very low | 113 Ų | 113 | 126.8 Ų | 126.8 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | | | trans | 85.8 | 135.9 | 174.4 | 79.3 | 0 | 0 | 0 | 0 | 115.3 | | |
| 258 | S | 44.6 | Very low | 45.3 | Very low | 94 Ų | 94 | 123 Ų | 123 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | | | cis | -170.7 | 141.4 | 13.2 | 14.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 259 | I | 51.5 | Low | 45.6 | Very low | 156 Ų | 156 | 123.7 Ų | 123.7 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | | | trans | 75.8 | 119.5 | 146.5 | -53.8 | 157.8 | 0 | 0 | 0 | 119.9 | | |
| 260 | P | 56.2 | Low | 46 | Very low | 113 Ų | 113 | 123 Ų | 123 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | | | trans | -104.1 | 167.8 | 156.5 | 38 | -27.2 | 0 | 0 | 0 | 112.1 | | |
| 261 | P | 54.2 | Low | 46.4 | Very low | 129 Ų | 129 | 124.2 Ų | 124.2 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | | | | -145.9 | 171.2 | 114.1 | 33.1 | -14 | 0 | 0 | 0 | 115.4 | | |
| 262 | S | 44.8 | Very low | 46.2 | Very low | 105 Ų | 105 | 123.6 Ų | 123.6 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | trans | -99.1 | -145.8 | -162.8 | -159.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 263 | P | 49.2 | Very low | 46.3 | Very low | 98 Ų | 98 | 120.9 Ų | 120.9 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | | | | -123.7 | 160.4 | -94.2 | 35.4 | -17.9 | 0 | 0 | 0 | 114.7 | | |
| 264 | H | 45.7 | Very low | 46.4 | Very low | 181 Ų | 181 | 121.6 Ų | 121.6 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | | | trans | -143.4 | 109.8 | 161.9 | -67.3 | -71.7 | 0 | 0 | 0 | 112.1 | | |
| 265 | V | 46 | Very low | 46.3 | Very low | 111 Ų | 111 | 120.2 Ų | 120.2 | 67% | 0.673 | 76% | 0.759 | S | S | * | * | | | | 71 | 111.5 | 102 | -158.9 | 0 | 0 | 0 | 0 | 114 | | |
| 266 | L | 48 | Very low | 46.3 | Very low | 167 Ų | 167 | 122.9 Ų | 122.9 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | | | | 179.2 | 128.3 | 112.7 | -90.1 | 167.5 | 0 | 0 | 0 | 112.8 | | |
| 267 | P | 44.3 | Very low | 45.6 | Very low | 107 Ų | 107 | 122.9 Ų | 122.9 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | | | trans | -109 | 148.2 | 175.5 | 38.2 | -28.2 | 0 | 0 | 0 | 112.8 | | |
| 268 | S | 47.2 | Very low | 45.7 | Very low | 113 Ų | 113 | 123 Ų | 123 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | | | trans | 173.7 | 108.7 | 157.1 | 38.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 269 | S | 43.1 | Very low | 45.6 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 88% | 0.881 | 77% | 0.771 | S | S | * | * | | | | 101.3 | 149.2 | 60.4 | -90.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 270 | P | 51.3 | Low | 45.7 | Very low | 110 Ų | 110 | 123.3 Ų | 123.3 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | | | trans | -119 | 167.3 | -145.7 | 40.5 | -27.3 | 0 | 0 | 0 | 114.2 | | |
| 271 | V | 45.3 | Very low | 45.1 | Very low | 148 Ų | 148 | 123.8 Ų | 123.8 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | | | trans | 174.3 | 153.2 | 156.4 | -90.5 | 0 | 0 | 0 | 0 | 107 | | |
| 272 | S | 40.8 | Very low | 44.6 | Very low | 104 Ų | 104 | 121.2 Ų | 121.2 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | cis | 177.8 | 173.6 | -16.8 | -165.9 | 0 | 0 | 0 | 0 | 104.6 | | |
| 273 | S | 45.9 | Very low | 44.5 | Very low | 107 Ų | 107 | 122.9 Ų | 122.9 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | trans | 89.5 | 102.9 | 171.8 | -23.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 274 | V | 38.5 | Very low | 44.5 | Very low | 131 Ų | 131 | 124.4 Ų | 124.4 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | | | | 57 | 101.4 | 56.3 | -174.2 | 0 | 0 | 0 | 0 | 112 | | |
| 275 | S | 41.8 | Very low | 44.3 | Very low | 80 Ų | 80 | 124.2 Ų | 124.2 | 56% | 0.559 | 78% | 0.781 | S | S | * | * | | | | 159.1 | 153.1 | 110 | -60.6 | 0 | 0 | 0 | 0 | 115 | | |
| 276 | H | 42 | Very low | 44.2 | Very low | 173 Ų | 173 | 124.5 Ų | 124.5 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | | | trans | 79.6 | 106.3 | 155.5 | -48.3 | -58.1 | 0 | 0 | 0 | 117.5 | | |
| 277 | S | 34.8 | Very low | 44.1 | Very low | 114 Ų | 114 | 122.5 Ų | 122.5 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | | | | 66.8 | 101.2 | 65.8 | -179.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 278 | S | 44.4 | Very low | 44 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -176.5 | 110.3 | 141.2 | 46.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 279 | V | 43.4 | Very low | 43.6 | Very low | 140 Ų | 140 | 129.1 Ų | 129.1 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | | | trans | -88.6 | 141.2 | 157.4 | 173.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 280 | P | 53.8 | Low | 43.7 | Very low | 115 Ų | 115 | 127.6 Ų | 127.6 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | | | trans | -110.1 | 134.8 | 155.7 | 32.1 | -21.5 | 0 | 0 | 0 | 111.6 | | |
| 281 | P | 42.2 | Very low | 43.6 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | | | trans | -86.7 | 150 | 171.2 | 35.4 | -30.2 | 0 | 0 | 0 | 110.6 | | |
| 282 | G | 45 | Very low | 43.6 | Very low | 76 Ų | 76 | 130 Ų | 130 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | | | trans | -152.9 | 83.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 283 | V | 41.7 | Very low | 44 | Very low | 139 Ų | 139 | 130.6 Ų | 130.6 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | | | trans | -74.5 | 133.3 | 163.1 | -113.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 284 | V | 49.7 | Very low | 43.7 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 79% | 0.788 | 78% | 0.784 | S | S | * | * | | | trans | -134.5 | 100.5 | 158.8 | -170.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 285 | E | 40.1 | Very low | 44.1 | Very low | 178 Ų | 178 | 132 Ų | 132 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | trans | -95 | 121.5 | 165.1 | -177.8 | 169.6 | 178.7 | 0 | 0 | 106.9 | | |
| 286 | C | 44.3 | Very low | 44.3 | Very low | 117 Ų | 117 | 133 Ų | 133 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | | | trans | -114.4 | 116.7 | 171.2 | -83.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 287 | T | 46.2 | Very low | 44.3 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | | | trans | -58.4 | 135.7 | 176.3 | 31.8 | 0 | 0 | 0 | 0 | 116 | | |
| 288 | R | 42.5 | Very low | 44.7 | Very low | 241 Ų | 241 | 130.5 Ų | 130.5 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | | | | 60.6 | 119.6 | 120.5 | -148.6 | -178.3 | -153.1 | -179.6 | 5.9 | 119.8 | | |
| 289 | S | 38.9 | Very low | 44.7 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | | -160.2 | 142.5 | 126 | -158.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 290 | P | 45.9 | Very low | 44.6 | Very low | 95 Ų | 95 | 130.6 Ų | 130.6 | 62% | 0.617 | 78% | 0.779 | S | S | * | * | | | trans | -98 | 149.1 | -174.1 | 37.8 | -29.3 | 0 | 0 | 0 | 112 | | |
| 291 | N | 47.9 | Very low | 44.2 | Very low | 149 Ų | 149 | 131 Ų | 131 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | | | trans | 161.3 | 108.7 | 147.8 | -85.7 | -28.8 | 0 | 0 | 0 | 107.7 | | |
| 292 | D | 46.7 | Very low | 44.5 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | | | | 179.8 | 127.6 | 125.3 | -88.4 | -27.7 | 0 | 0 | 0 | 109.5 | | |
| 293 | P | 48.5 | Very low | 44.6 | Very low | 117 Ų | 117 | 136 Ų | 136 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | | | trans | -88.7 | 157.6 | 179.4 | 36.7 | -32.2 | 0 | 0 | 0 | 110.8 | | |
| 294 | N | 39.5 | Very low | 44.9 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | | | trans | 80.4 | 80.6 | 144.8 | -152.7 | 12.9 | 0 | 0 | 0 | 117.5 | | |
| 295 | V | 47.1 | Very low | 45.1 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | | | trans | -128.4 | 96.5 | 144.6 | -171.7 | 0 | 0 | 0 | 0 | 108 | N297 | V295-N297 PolarHBondContact O-N 2.82Š|
| 296 | S | 46.6 | Very low | 45.5 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | -59.7 | 96.4 | 166.2 | 41 | 0 | 0 | 0 | 0 | 110.3 | A298 | S296-A298 VanDerWaalsContact C-N 3.33Å; S296-A298 PolarHBondContact O-N 3.47Å; S296-A298 VanDerWaalsContact O-N 3.11Å |
| 297 | N | 40.7 | Very low | 45.7 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | | | trans | -75.8 | 93 | 160.7 | -82.9 | -19.3 | 0 | 0 | 0 | 108 | V295 L299 | V295-N297 PolarHBondContact O-N 2.82Å; N297-L299 PolarHBondContact O-N 2.94Å |
| 298 | A | 43.9 | Very low | 46 | Very low | 91 Ų | 91 | 135.7 Ų | 135.7 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | | | trans | -54.2 | 119.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | S296 S300 | S296-A298 VanDerWaalsContact C-N 3.33Å; S296-A298 PolarHBondContact O-N 3.47Å; S296-A298 VanDerWaalsContact O-N 3.11Å; A298-S300 PolarHBondContact O-N 3.25Å |
| 299 | L | 43.6 | Very low | 46.9 | Very low | 161 Ų | 161 | 131.9 Ų | 131.9 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | | | trans | -56.2 | 104.6 | 159.3 | -87.3 | 96.2 | 0 | 0 | 0 | 107.6 | N297 T301 | N297-L299 PolarHBondContact O-N 2.94Å; L299-T301 VanDerWaalsContact C-N 3.31Å; L299-T301 PolarHBondContact O-N 3.26Å; L299-T301 VanDerWaalsContact O-N 3.11Å |
| 300 | S | 42.3 | Very low | 47.5 | Very low | 97 Ų | 97 | 133.8 Ų | 133.8 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | | | trans | -72.8 | 94.6 | 157.3 | 53.9 | 0 | 0 | 0 | 0 | 107.2 | A298 N302 | A298-S300 PolarHBondContact O-N 3.25Å; S300-N302 VanDerWaalsContact C-N 3.33Å; S300-N302 PolarHBondContact O-N 3.08Å |
| 301 | T | 45.9 | Very low | 48.2 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | trans | -55.8 | 97.5 | 158.1 | 41 | 0 | 0 | 0 | 0 | 108.1 | L299 E303 | L299-T301 VanDerWaalsContact C-N 3.31Å; L299-T301 PolarHBondContact O-N 3.26Å; L299-T301 VanDerWaalsContact O-N 3.11Å; T301-E303 VanDerWaalsContact C-N 3.33Å; T301-E303 PolarHBondContact O-N 3.29Å |
| 302 | N | 48.4 | Very low | 48.6 | Very low | 141 Ų | 141 | 136.3 Ų | 136.3 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | | | trans | -72.1 | 98.8 | 163.3 | -79.1 | -23.9 | 0 | 0 | 0 | 107.2 | S300 I304 | S300-N302 VanDerWaalsContact C-N 3.33Å; S300-N302 PolarHBondContact O-N 3.08Å; N302-I304 VanDerWaalsContact C-N 3.33Å; N302-I304 PolarHBondContact O-N 3.44Å |
| 303 | E | 45.8 | Very low | 49.1 | Very low | 165 Ų | 165 | 134.6 Ų | 134.6 | 77% | 0.771 | 76% | 0.763 | S | S | * | * | | | trans | -56.4 | 92.7 | 164.5 | -157.8 | -179.4 | 156.6 | 0 | 0 | 108.3 | T301 T305 | T301-E303 VanDerWaalsContact C-N 3.33Å; T301-E303 PolarHBondContact O-N 3.29Å; E303-T305 HydrophobicContact CG-CG2 4.45Å; E303-T305 PolarHBondContact O-N 3.46Å |
| 304 | I | 48.8 | Very low | 49.6 | Very low | 150 Ų | 150 | 137.6 Ų | 137.6 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | | | trans | -74.4 | 91.9 | 164.5 | -62.9 | 173.3 | 0 | 0 | 0 | 105.3 | N302 D306 | N302-I304 VanDerWaalsContact C-N 3.33Å; N302-I304 PolarHBondContact O-N 3.44Å; I304-D306 PolarHBondContact O-N 3.25Å; I304-D306 VanDerWaalsContact O-N 3.12Å |
| 305 | T | 52.8 | Low | 50.7 | Low | 108 Ų | 108 | 139.5 Ų | 139.5 | 66% | 0.663 | 77% | 0.766 | S | S | * | * | | | trans | -67.6 | 100.6 | 163.6 | 28 | 0 | 0 | 0 | 0 | 107.5 | E303 S307 | E303-T305 HydrophobicContact CG-CG2 4.45Å; E303-T305 PolarHBondContact O-N 3.46Å; T305-S307 PolarHBondContact O-N 3.37Å |
| 306 | D | 50.4 | Low | 50.9 | Low | 154 Ų | 154 | 138.6 Ų | 138.6 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | | | trans | -61.6 | 89.8 | 159.7 | -109.4 | -29.7 | 0 | 0 | 0 | 107.4 | I304 M308 | I304-D306 PolarHBondContact O-N 3.25Å; I304-D306 VanDerWaalsContact O-N 3.12Å; D306-M308 PolarHBondContact O-N 3.48Å; D306-M308 VanDerWaalsContact O-N 3.08Å |
| 307 | S | 47.3 | Very low | 51.3 | Low | 91 Ų | 91 | 138.5 Ų | 138.5 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | | | trans | -71.2 | 98.1 | 167.6 | -174.3 | 0 | 0 | 0 | 0 | 107.6 | T305 M309 | T305-S307 PolarHBondContact O-N 3.37Å; S307-M309 PolarHBondContact O-N 3.34Å |
| 308 | M | 53.6 | Low | 52.1 | Low | 178 Ų | 178 | 137.3 Ų | 137.3 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | | | trans | -52.1 | 103.6 | 162.6 | -79.8 | -178.9 | -70.1 | 0 | 0 | 108.5 | D306 D310 | D306-M308 PolarHBondContact O-N 3.48Å; D306-M308 VanDerWaalsContact O-N 3.08Å; M308-D310 PolarHBondContact O-N 3.23Å; M308-D310 VanDerWaalsContact O-N 3.15Å |
| 309 | M | 60.1 | Low | 52.9 | Low | 162 Ų | 162 | 138.5 Ų | 138.5 | 80% | 0.798 | 76% | 0.76 | S | S | * | * | | | trans | -68.8 | 107.5 | 160.3 | -70.6 | -75.8 | 160.4 | 0 | 0 | 107 | S307 L311 | S307-M309 PolarHBondContact O-N 3.34Å; M309-L311 PolarHBondContact O-N 3.02Å |
| 310 | D | 52.7 | Low | 53.3 | Low | 157 Ų | 157 | 138.8 Ų | 138.8 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | | | trans | -39 | 106.5 | 161.7 | -104.3 | -37.5 | 0 | 0 | 0 | 110.2 | M308 D312 | M308-D310 PolarHBondContact O-N 3.23Å; M308-D310 VanDerWaalsContact O-N 3.15Å; D310-D312 VanDerWaalsContact C-N 3.31Å; D310-D312 PolarHBondContact O-N 3.16Å |
| 311 | L | 59.5 | Low | 54.1 | Low | 159 Ų | 159 | 142.8 Ų | 142.8 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | | | trans | -84.2 | 87.4 | 158.4 | -81.8 | 168.6 | 0 | 0 | 0 | 106.9 | M309 V313 | M309-L311 PolarHBondContact O-N 3.02Å; L311-V313 VanDerWaalsContact C-N 3.26Å; L311-V313 PolarHBondContact O-N 3.19Å |
| 312 | D | 55.9 | Low | 54.6 | Low | 137 Ų | 137 | 141.9 Ų | 141.9 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | | | trans | -66 | 88.4 | 168.4 | -152.8 | -10.2 | 0 | 0 | 0 | 108.2 | D310 K314 | D310-D312 VanDerWaalsContact C-N 3.31Å; D310-D312 PolarHBondContact O-N 3.16Å; D312-K314 PolarHBondContact O-N 3.17Å |
| 313 | V | 58.9 | Low | 55.1 | Low | 124 Ų | 124 | 143.8 Ų | 143.8 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | | | trans | -72.2 | 84.8 | 172.4 | 177.9 | 0 | 0 | 0 | 0 | 107.4 | L311 K315 | L311-V313 VanDerWaalsContact C-N 3.26Å; L311-V313 PolarHBondContact O-N 3.19Å; V313-K315 VanDerWaalsContact C-N 3.3Å; V313-K315 PolarHBondContact O-N 3.26Å |
| 314 | K | 58 | Low | 55.6 | Low | 179 Ų | 179 | 143.2 Ų | 143.2 | 78% | 0.778 | 81% | 0.811 | S | S | * | * | | | trans | -70.4 | 90 | 170.9 | -144.9 | 163.5 | -173.2 | 165.4 | 0 | 108.9 | D312 C316 | D312-K314 PolarHBondContact O-N 3.17Å; K314-C316 VanDerWaalsContact C-N 3.34Å; K314-C316 PolarHBondContact O-N 3.24Å |
| 315 | K | 63.3 | Low | 55.9 | Low | 178 Ų | 178 | 142.9 Ų | 142.9 | 77% | 0.774 | 81% | 0.813 | S | S | * | * | | | trans | -67 | 88.4 | 169.3 | -173.1 | 170 | -179.8 | 177 | 0 | 109 | V313 S317 | V313-K315 VanDerWaalsContact C-N 3.3Å; V313-K315 PolarHBondContact O-N 3.26Å; K315-S317 PolarHBondContact O-N 3.28Å |
| 316 | C | 51.3 | Low | 56.1 | Low | 109 Ų | 109 | 144.7 Ų | 144.7 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | | | trans | -65.2 | 102.6 | 166.2 | -78.2 | 0 | 0 | 0 | 0 | 109.1 | K314 | K314-C316 VanDerWaalsContact C-N 3.34Å; K314-C316 PolarHBondContact O-N 3.24Å |
| 317 | S | 54.5 | Low | 56.4 | Low | 100 Ų | 100 | 144.2 Ų | 144.2 | 70% | 0.699 | 82% | 0.821 | S | S | * | * | | | trans | -92.2 | 108.4 | 162.1 | -56 | 0 | 0 | 0 | 0 | 106.7 | K315 | K315-S317 PolarHBondContact O-N 3.28Š|
| 318 | T | 57.8 | Low | 56.9 | Low | 119 Ų | 119 | 147.3 Ų | 147.3 | 73% | 0.73 | 83% | 0.831 | S | S | * | * | | | trans | -128.2 | 91.2 | 172.5 | -26.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 319 | T | 60.2 | Low | 57.1 | Low | 116 Ų | 116 | 145.4 Ų | 145.4 | 71% | 0.712 | 83% | 0.829 | S | S | * | * | | | trans | 38 | 109 | 137.9 | 49.4 | 0 | 0 | 0 | 0 | 118.7 | E321 | T319-E321 PolarHBondContact O-N 3.37Š|
| 320 | N | 52.6 | Low | 56.9 | Low | 168 Ų | 168 | 144.3 Ų | 144.3 | 90% | 0.898 | 83% | 0.831 | S | S | * | * | | | trans | -59.3 | 118.8 | 145.8 | -72.5 | -30.5 | 0 | 0 | 0 | 109.1 | | |
| 321 | E | 57.8 | Low | 57.2 | Low | 181 Ų | 181 | 143.4 Ų | 143.4 | 85% | 0.846 | 83% | 0.83 | S | S | * | * | | | trans | -107.6 | 113.2 | 152.6 | -81.8 | -159.5 | 119.7 | 0 | 0 | 108.7 | T319 | T319-E321 PolarHBondContact O-N 3.37Š|
| 322 | S | 57.4 | Low | 57.1 | Low | 103 Ų | 103 | 142.2 Ų | 142.2 | 72% | 0.72 | 83% | 0.83 | S | S | * | * | | | trans | -94.1 | 116.2 | 163.8 | 54.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 323 | H | 58.5 | Low | 57.2 | Low | 182 Ų | 182 | 142.6 Ų | 142.6 | 84% | 0.843 | 84% | 0.838 | S | S | * | * | | | trans | -148.4 | 125.3 | 151.8 | -86.8 | -74.2 | 0 | 0 | 0 | 103.6 | | |
| 324 | G | 55.8 | Low | 57 | Low | 152 Ų | 152 | 144.3 Ų | 144.3 | 100% | 1.567 | 85% | 0.846 | S | S | * | * | | | | 94.7 | 0 | 69.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |