| 1 | M | 41.3 | Very low | 50.8 | Low | 241 Ų | 241 | 151.8 Ų | 151.8 | 100% | 1.187 | 80% | 0.795 | S | S | * | * | | | | 0 | 133.9 | 0 | -76 | 159.3 | 164 | 0 | 0 | 108.1 | | |
| 2 | V | 45.7 | Very low | 50.5 | Low | 129 Ų | 129 | 150.2 Ų | 150.2 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | | | trans | 21.8 | 111.4 | 167.5 | -166.1 | 0 | 0 | 0 | 0 | 118.4 | T4 | V2-T4 HydrophobicContact CG1-CG2 3.8Š|
| 3 | S | 48.2 | Very low | 50.3 | Low | 117 Ų | 117 | 153.2 Ų | 153.2 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -94.6 | 116.4 | 160 | -67.3 | 0 | 0 | 0 | 0 | 110.4 | H5 | S3-H5 PolarHBondContact O-N 3.28Š|
| 4 | T | 55.5 | Low | 50.4 | Low | 108 Ų | 108 | 152.9 Ų | 152.9 | 66% | 0.663 | 79% | 0.791 | S | S | * | * | | | trans | -90.8 | 71.3 | -175 | 52.8 | 0 | 0 | 0 | 0 | 112.1 | V2 | V2-T4 HydrophobicContact CG1-CG2 3.8Š|
| 5 | H | 56.6 | Low | 50.6 | Low | 171 Ų | 171 | 149.8 Ų | 149.8 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | | | trans | -117.5 | 22.6 | -173.5 | -146.6 | -69.1 | 0 | 0 | 0 | 115.1 | S3 | S3-H5 PolarHBondContact O-N 3.28Š|
| 6 | Q | 52.1 | Low | 50.1 | Low | 183 Ų | 183 | 147.1 Ų | 147.1 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | | | trans | -119.3 | 28.2 | -172.9 | -69.7 | -72.9 | 83.6 | 0 | 0 | 113.7 | | |
| 7 | Q | 60.1 | Low | 49.5 | Very low | 157 Ų | 157 | 147.6 Ų | 147.6 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -110.1 | 10.4 | -170.6 | -70.4 | -176 | -62.9 | 0 | 0 | 115.7 | | |
| 8 | Y | 43.4 | Very low | 49.2 | Very low | 223 Ų | 223 | 145.9 Ų | 145.9 | 88% | 0.875 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -133.4 | 10.1 | -174.8 | -78.8 | -72 | 0 | 0 | 0 | 116.5 | | |
| 9 | L | 51.6 | Low | 48.8 | Very low | 165 Ų | 165 | 144.1 Ų | 144.1 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -111 | 120.3 | 164.9 | -91.9 | 70.2 | 0 | 0 | 0 | 108.9 | | |
| 10 | S | 51.2 | Low | 48.7 | Very low | 77 Ų | 77 | 143.5 Ų | 143.5 | 54% | 0.538 | 78% | 0.783 | S | S | . | * | | | trans | -69.8 | 137.6 | -173.8 | -52.6 | 0 | 0 | 0 | 0 | 112.6 | D12 | S10-D12 VanDerWaalsContact C-N 3.3Å; S10-D12 PolarHBondContact O-N 3.31Å |
| 11 | P | 52.9 | Low | 48.3 | Very low | 99 Ų | 99 | 142.7 Ų | 142.7 | 64% | 0.643 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -65.6 | -22.4 | -178.4 | -23.6 | 35 | 0 | 0 | 0 | 115.8 | F13 L14 | P11-F13 PolarHBondContact O-N 3.16Å; P11-L14 WeakPolarHBondContact O-CB 3.43Å; P11-L14 PolarHBondContact O-N 3.45Å |
| 12 | D | 47.7 | Very low | 48.2 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -58.1 | -22.7 | -172 | -70.3 | -95.6 | 0 | 0 | 0 | 115.5 | S10 L14 | S10-D12 VanDerWaalsContact C-N 3.3Å; S10-D12 PolarHBondContact O-N 3.31Å; D12-L14 PolarHBondContact O-N 3.47Å |
| 13 | F | 47.5 | Very low | 47.8 | Very low | 190 Ų | 190 | 135.3 Ų | 135.3 | 83% | 0.833 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -78.1 | 6.3 | 176.1 | -63.8 | -72.7 | 0 | 0 | 0 | 114.3 | P11 | P11-F13 PolarHBondContact O-N 3.16Š|
| 14 | L | 51.9 | Low | 47.6 | Very low | 149 Ų | 149 | 134.8 Ų | 134.8 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -119.5 | 10.1 | -176.4 | -71.3 | 165.7 | 0 | 0 | 0 | 114.9 | P11 D12 P16 | P11-L14 WeakPolarHBondContact O-CB 3.43Å; P11-L14 PolarHBondContact O-N 3.45Å; D12-L14 PolarHBondContact O-N 3.47Å; L14-P16 WeakPolarHBondContact O-CD 3.24Å |
| 15 | S | 53.2 | Low | 47.3 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | | | trans | -78.6 | 117.9 | 175 | -67.8 | 0 | 0 | 0 | 0 | 112 | | |
| 16 | P | 42.9 | Very low | 46.6 | Very low | 106 Ų | 106 | 134.9 Ų | 134.9 | 69% | 0.688 | 78% | 0.776 | S | S | * | * | | | trans | -101.3 | 177.2 | -175 | 39.8 | -34.5 | 0 | 0 | 0 | 113.7 | L14 | L14-P16 WeakPolarHBondContact O-CD 3.24Š|
| 17 | L | 39.7 | Very low | 46.7 | Very low | 156 Ų | 156 | 130.3 Ų | 130.3 | 82% | 0.817 | 77% | 0.77 | S | S | * | * | | | trans | 80.2 | 155.8 | 171.5 | -57.9 | 152.2 | 0 | 0 | 0 | 115.3 | | |
| 18 | P | 43.9 | Very low | 46 | Very low | 118 Ų | 118 | 127.5 Ų | 127.5 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | | | cis | -111.2 | 163.3 | 3.3 | 40.1 | -30.5 | 0 | 0 | 0 | 115.1 | | |
| 19 | S | 42 | Very low | 46.4 | Very low | 111 Ų | 111 | 122.3 Ų | 122.3 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | | | trans | -89.1 | 123.6 | 176 | 53.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 20 | T | 47.4 | Very low | 46.7 | Very low | 132 Ų | 132 | 118.5 Ų | 118.5 | 81% | 0.81 | 74% | 0.743 | S | S | * | * | | | trans | -131.3 | 125.3 | 165.1 | 53.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 21 | S | 39.4 | Very low | 47.4 | Very low | 126 Ų | 126 | 122.2 Ų | 122.2 | 88% | 0.881 | 75% | 0.749 | S | S | * | * | | | trans | -49.5 | 139.6 | 172.1 | 49.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 22 | G | 38.8 | Very low | 48.6 | Very low | 74 Ų | 74 | 120.1 Ų | 120.1 | 76% | 0.763 | 74% | 0.737 | S | S | * | * | | | trans | -174.2 | 124.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 23 | T | 38.4 | Very low | 50.4 | Low | 142 Ų | 142 | 118.6 Ų | 118.6 | 87% | 0.871 | 73% | 0.734 | S | S | * | * | | | trans | -99.4 | 108.9 | 175.7 | 48.3 | 0 | 0 | 0 | 0 | 111 | | |
| 24 | S | 44.1 | Very low | 52.3 | Low | 106 Ų | 106 | 115.7 Ų | 115.7 | 74% | 0.741 | 73% | 0.727 | S | S | * | * | | | trans | -171.3 | 121.2 | 166.2 | 36.6 | 0 | 0 | 0 | 0 | 107.7 | | |
| 25 | D | 48.3 | Very low | 53.7 | Low | 140 Ų | 140 | 110 Ų | 110 | 75% | 0.749 | 70% | 0.702 | S | S | * | * | | | | 91 | 97.8 | 72.3 | -85 | -62.5 | 0 | 0 | 0 | 114.9 | A27 | D25-A27 PolarHBondContact O-N 3.3Š|
| 26 | T | 42.3 | Very low | 55.3 | Low | 140 Ų | 140 | 110.2 Ų | 110.2 | 86% | 0.859 | 69% | 0.694 | S | S | * | * | | | | 58.6 | 31.7 | 121.9 | -35.9 | 0 | 0 | 0 | 0 | 118.8 | | |
| 27 | A | 55.1 | Low | 57.4 | Low | 88 Ų | 88 | 110.5 Ų | 110.5 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | | | trans | -150.8 | 153.1 | 154.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | D25 | D25-A27 PolarHBondContact O-N 3.3Š|
| 28 | D | 45 | Very low | 59.5 | Low | 98 Ų | 98 | 106 Ų | 106 | 52% | 0.524 | 67% | 0.674 | S | S | . | * | | | cis | -147.7 | 69.2 | 19.8 | -156.1 | -35.4 | 0 | 0 | 0 | 111.2 | S30 K31 | D28-S30 PolarHBondContact O-N 3.19Å; D28-S30 PolarHBondContact OD1-OG 3.29Å; D28-K31 IonicContact OD1-NZ 3.64Å |
| 29 | S | 52 | Low | 61.3 | Low | 114 Ų | 114 | 106.4 Ų | 106.4 | 80% | 0.797 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 12.8 | -176.4 | -130.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 30 | S | 58 | Low | 63.3 | Low | 84 Ų | 84 | 104.1 Ų | 104.1 | 59% | 0.587 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | -13.4 | -173.3 | 74.6 | 0 | 0 | 0 | 0 | 115 | D28 | D28-S30 PolarHBondContact O-N 3.19Å; D28-S30 PolarHBondContact OD1-OG 3.29Å |
| 31 | K | 65 | Low | 64.9 | Low | 156 Ų | 156 | 102 Ų | 102 | 68% | 0.678 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -114 | -4.6 | -178.2 | -85.4 | 67.4 | 165.3 | -161.3 | 0 | 114.9 | D28 | D28-K31 IonicContact OD1-NZ 3.64Š|
| 32 | S | 77.6 | Confident | 66.8 | Low | 55 Ų | 55 | 101.5 Ų | 101.5 | 39% | 0.385 | 62% | 0.624 | S | S | . | * | | | trans | -67.6 | 126.5 | 178.5 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | L34 A35 L36 | S32-L34 PolarHBondContact O-N 3.34Å; S32-L34 PolarHBondContact OG-N 3.08Å; S32-A35 WeakPolarHBondContact O-CB 3.42Å; S32-A35 PolarHBondContact O-N 2.97Å; S32-L36 PolarHBondContact O-N 3.42Å |
| 33 | P | 86.3 | Confident | 68.4 | Low | 100 Ų | 100 | 102.2 Ų | 102.2 | 65% | 0.649 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63.2 | -22.8 | 175.2 | 25.8 | -33.7 | 0 | 0 | 0 | 112.2 | L37 | P33-L37 WeakPolarHBondContact O-CG 3.46Å; P33-L37 PolarHBondContact O-N 3.26Å; P33-L37 VanDerWaalsContact O-N 3.11Å |
| 34 | L | 86.9 | Confident | 70 | Confident | 129 Ų | 129 | 102.1 Ų | 102.1 | 68% | 0.675 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -73.7 | -38 | 173 | -161.7 | 157 | 0 | 0 | 0 | 111.2 | S32 L37 A38 | S32-L34 PolarHBondContact O-N 3.34Å; S32-L34 PolarHBondContact OG-N 3.08Å; L34-L37 PolarHBondContact O-N 3.05Å; L34-A38 PolarHBondContact O-N 3.01Å |
| 35 | A | 82.5 | Confident | 71 | Confident | 30 Ų | 30 | 100 Ų | 100 | 25% | 0.248 | 61% | 0.605 | C | S | . | * | H | α-helix | trans | -66.5 | -37.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | S32 L37 A38 Q39 | S32-A35 WeakPolarHBondContact O-CB 3.42Å; S32-A35 PolarHBondContact O-N 2.97Å; A35-L37 VanDerWaalsContact C-N 3.34Å; A35-L37 PolarHBondContact O-N 3.19Å; A35-A38 PolarHBondContact O-N 2.97Å; A35-Q39 WeakPolarHBondContact O-CB 3.41Å; A35-Q39 PolarHBondContact O-N 3.47Å |
| 36 | L | 85.2 | Confident | 71.6 | Confident | 110 Ų | 110 | 99.5 Ų | 99.5 | 58% | 0.576 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.4 | -41.5 | 173.6 | -166.6 | 74.8 | 0 | 0 | 0 | 111.8 | S32 Q39 T40 | S32-L36 PolarHBondContact O-N 3.42Å; L36-Q39 PolarHBondContact O-N 2.95Å; L36-T40 PolarHBondContact O-N 3.34Å; L36-T40 PolarHBondContact O-OG1 3.25Å |
| 37 | L | 87.7 | Confident | 72.6 | Confident | 112 Ų | 112 | 97.9 Ų | 97.9 | 59% | 0.586 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.2 | -38.5 | 174.2 | -72.3 | 168.7 | 0 | 0 | 0 | 112.6 | P33 L34 A35 Q39 T40 C41 | P33-L37 WeakPolarHBondContact O-CG 3.46Å; P33-L37 PolarHBondContact O-N 3.26Å; P33-L37 VanDerWaalsContact O-N 3.11Å; L34-L37 PolarHBondContact O-N 3.05Å; A35-L37 VanDerWaalsContact C-N 3.34Å; A35-L37 PolarHBondContact O-N 3.19Å; L37-Q39 VanDerWaalsContact C-N 3.31Å; L37-Q39 PolarHBondContact O-N 3.22Å; L37-T40 PolarHBondContact O-N 3.49Å; L37-T40 PolarHBondContact O-OG1 3.47Å; L37-T40 VanDerWaalsContact O-OG1 3.09Å; L37-C41 WeakPolarHBondContact O-CB 3.36Å; L37-C41 PolarHBondContact O-N 2.82Å; L37-C41 PolarHBondContact O-SG 2.76Å |
| 38 | A | 83.2 | Confident | 72.7 | Confident | 60 Ų | 60 | 101.3 Ų | 101.3 | 50% | 0.496 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.1 | -39.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L34 A35 N42 | L34-A38 PolarHBondContact O-N 3.01Å; A35-A38 PolarHBondContact O-N 2.97Å; A38-N42 PolarHBondContact O-N 2.89Å |
| 39 | Q | 82.3 | Confident | 73.3 | Confident | 128 Ų | 128 | 103.4 Ų | 103.4 | 60% | 0.598 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.5 | -44.2 | 176.9 | -173.2 | 175.2 | -4.5 | 0 | 0 | 112.1 | A35 L36 L37 N42 S43 | A35-Q39 WeakPolarHBondContact O-CB 3.41Å; A35-Q39 PolarHBondContact O-N 3.47Å; L36-Q39 PolarHBondContact O-N 2.95Å; L37-Q39 VanDerWaalsContact C-N 3.31Å; L37-Q39 PolarHBondContact O-N 3.22Å; Q39-N42 PolarHBondContact O-N 3.37Å; Q39-S43 PolarHBondContact O-N 3.04Å; Q39-S43 PolarHBondContact O-OG 2.87Å |
| 40 | T | 83.4 | Confident | 73.6 | Confident | 63 Ų | 63 | 103.6 Ų | 103.6 | 39% | 0.387 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66.3 | -38.6 | 176.2 | 55.2 | 0 | 0 | 0 | 0 | 112.1 | L36 L37 N42 S43 I44 | L36-T40 PolarHBondContact O-N 3.34Å; L36-T40 PolarHBondContact O-OG1 3.25Å; L37-T40 PolarHBondContact O-N 3.49Å; L37-T40 PolarHBondContact O-OG1 3.47Å; L37-T40 VanDerWaalsContact O-OG1 3.09Å; T40-N42 VanDerWaalsContact C-N 3.32Å; T40-N42 PolarHBondContact O-N 3.42Å; T40-S43 PolarHBondContact O-N 3.47Å; T40-I44 WeakPolarHBondContact O-CB 3.44Å; T40-I44 WeakPolarHBondContact O-CD1 3.39Å; T40-I44 VanDerWaalsContact O-CG1 3.24Å; T40-I44 WeakPolarHBondContact O-CG1 3.41Å; T40-I44 PolarHBondContact O-N 2.93Å |
| 41 | C | 81.5 | Confident | 73.2 | Confident | 87 Ų | 87 | 104.1 Ų | 104.1 | 59% | 0.588 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -57.6 | -43.5 | 171.5 | -74.8 | 0 | 0 | 0 | 0 | 112.2 | L37 I44 G45 | L37-C41 WeakPolarHBondContact O-CB 3.36Å; L37-C41 PolarHBondContact O-N 2.82Å; L37-C41 PolarHBondContact O-SG 2.76Å; C41-I44 PolarHBondContact O-N 3Å; C41-G45 PolarHBondContact O-N 3.24Å; C41-G45 VanDerWaalsContact O-N 3.08Å |
| 42 | N | 80.3 | Confident | 72.2 | Confident | 115 Ų | 115 | 102.7 Ų | 102.7 | 62% | 0.615 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66 | -36.8 | 176 | -170.3 | 67.3 | 0 | 0 | 0 | 112.6 | A38 Q39 T40 I44 | A38-N42 PolarHBondContact O-N 2.89Å; Q39-N42 PolarHBondContact O-N 3.37Å; T40-N42 VanDerWaalsContact C-N 3.32Å; T40-N42 PolarHBondContact O-N 3.42Å; N42-I44 VanDerWaalsContact C-N 3.34Å |
| 43 | S | 72.5 | Confident | 70.7 | Confident | 90 Ų | 90 | 110.1 Ų | 110.1 | 63% | 0.629 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -71.6 | -23.3 | 175.8 | -63.1 | 0 | 0 | 0 | 0 | 114.4 | Q39 T40 | Q39-S43 PolarHBondContact O-N 3.04Å; Q39-S43 PolarHBondContact O-OG 2.87Å; T40-S43 PolarHBondContact O-N 3.47Å |
| 44 | I | 70.3 | Confident | 68.4 | Low | 139 Ų | 139 | 108.8 Ų | 108.8 | 71% | 0.713 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -92.4 | -20.6 | 179.7 | -66.5 | 164.1 | 0 | 0 | 0 | 111.6 | T40 C41 N42 | T40-I44 WeakPolarHBondContact O-CB 3.44Å; T40-I44 WeakPolarHBondContact O-CD1 3.39Å; T40-I44 VanDerWaalsContact O-CG1 3.24Å; T40-I44 WeakPolarHBondContact O-CG1 3.41Å; T40-I44 PolarHBondContact O-N 2.93Å; C41-I44 PolarHBondContact O-N 3Å; N42-I44 VanDerWaalsContact C-N 3.34Å |
| 45 | G | 66.5 | Low | 66.4 | Low | 61 Ų | 61 | 109 Ų | 109 | 63% | 0.629 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -82.4 | -7.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | C41 | C41-G45 PolarHBondContact O-N 3.24Å; C41-G45 VanDerWaalsContact O-N 3.08Å |
| 46 | L | 60.6 | Low | 64.4 | Low | 130 Ų | 130 | 113.6 Ų | 113.6 | 68% | 0.681 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -94 | 129.6 | -179.3 | -94.5 | 67.8 | 0 | 0 | 0 | 111.7 | D48 | L46-D48 PolarHBondContact O-N 3.3Š|
| 47 | P | 63 | Low | 62.1 | Low | 106 Ų | 106 | 113 Ų | 113 | 69% | 0.688 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 124.4 | 173.6 | 30 | -32.9 | 0 | 0 | 0 | 110.9 | L49 | P47-L49 PolarHBondContact O-N 3.29Š|
| 48 | D | 56.4 | Low | 59.9 | Low | 161 Ų | 161 | 113 Ų | 113 | 86% | 0.861 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 128.2 | 173.3 | -174.3 | 38.6 | 0 | 0 | 0 | 110.8 | L46 | L46-D48 PolarHBondContact O-N 3.3Š|
| 49 | L | 59.1 | Low | 58.1 | Low | 141 Ų | 141 | 121.5 Ų | 121.5 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | | | trans | -128.2 | 129.2 | -175.7 | -82.9 | 158.6 | 0 | 0 | 0 | 108.7 | P47 | P47-L49 PolarHBondContact O-N 3.29Š|
| 50 | P | 56.6 | Low | 56 | Low | 118 Ų | 118 | 120.5 Ų | 120.5 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | | | trans | -77.6 | 139.7 | -154.6 | 28.1 | -36.4 | 0 | 0 | 0 | 115.2 | | |
| 51 | A | 50.5 | Low | 54.5 | Low | 96 Ų | 96 | 123.2 Ų | 123.2 | 79% | 0.793 | 75% | 0.753 | S | S | * | * | | | trans | 58.9 | 105.1 | 150.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 52 | S | 44.7 | Very low | 52.9 | Low | 126 Ų | 126 | 126 Ų | 126 | 88% | 0.881 | 76% | 0.761 | S | S | * | * | | | trans | -43.6 | 134.5 | 166.7 | -45.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 53 | K | 45.3 | Very low | 51.2 | Low | 210 Ų | 210 | 125.1 Ų | 125.1 | 91% | 0.913 | 77% | 0.765 | S | S | * | * | | | trans | -103.1 | 112.8 | 155.8 | -165.3 | 162.5 | -175 | 171.4 | 0 | 108.3 | | |
| 54 | G | 38.3 | Very low | 50.2 | Low | 73 Ų | 73 | 126.7 Ų | 126.7 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | | | trans | -75.1 | 146.8 | -159.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 55 | T | 45.1 | Very low | 49.1 | Very low | 134 Ų | 134 | 126 Ų | 126 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | | | trans | -94.4 | 120.4 | 173.7 | -15.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 56 | T | 39.7 | Very low | 47.9 | Very low | 126 Ų | 126 | 129.7 Ų | 129.7 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | trans | 13.3 | 103.8 | 155.4 | 54.6 | 0 | 0 | 0 | 0 | 119.6 | | |
| 57 | A | 38 | Very low | 47.4 | Very low | 98 Ų | 98 | 132 Ų | 132 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | | | trans | 46.2 | 118 | 133.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 58 | S | 40.6 | Very low | 46.6 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | trans | -151.1 | 119.6 | 144.3 | -90.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 59 | R | 45.6 | Very low | 46 | Very low | 240 Ų | 240 | 131.9 Ų | 131.9 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | | | trans | 51.9 | 113.7 | 147 | -51.8 | 178.5 | -173.9 | -142.4 | -1.4 | 118.8 | | |
| 60 | S | 39.3 | Very low | 45.4 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | | 150.2 | 117.4 | 107 | -168.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 61 | V | 51.4 | Low | 44.9 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | trans | 29.3 | 109.3 | 141.3 | -168.3 | 0 | 0 | 0 | 0 | 117.4 | | |
| 62 | D | 46.5 | Very low | 44.8 | Very low | 145 Ų | 145 | 136.9 Ų | 136.9 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | | | | -161.7 | 176.7 | 92.1 | -130.9 | -49.8 | 0 | 0 | 0 | 113.9 | | |
| 63 | S | 44.8 | Very low | 44.8 | Very low | 97 Ų | 97 | 133.9 Ų | 133.9 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | | | trans | -87.2 | 166.2 | -158.7 | -50.5 | 0 | 0 | 0 | 0 | 115.6 | | |
| 64 | T | 52.2 | Low | 45 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | trans | 134.3 | 85 | 138.1 | -53.1 | 0 | 0 | 0 | 0 | 116.4 | | |
| 65 | T | 46.3 | Very low | 45.2 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | | | | 86.2 | 133.8 | 123.6 | -51.1 | 0 | 0 | 0 | 0 | 121.6 | | |
| 66 | I | 43.2 | Very low | 45.3 | Very low | 139 Ų | 139 | 138 Ų | 138 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | | | trans | 71.4 | 101.1 | 172.4 | -41.3 | -166.8 | 0 | 0 | 0 | 118.5 | | |
| 67 | L | 49.9 | Very low | 45.4 | Very low | 178 Ų | 178 | 138.4 Ų | 138.4 | 93% | 0.932 | 77% | 0.769 | S | S | * | * | | | | -147.4 | 149.9 | 110.9 | -103.9 | 170.5 | 0 | 0 | 0 | 108.8 | | |
| 68 | T | 44.3 | Very low | 45.6 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | | | trans | -123.6 | 155.4 | -164.5 | -33 | 0 | 0 | 0 | 0 | 111.4 | | |
| 69 | E | 45.5 | Very low | 46 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | | | trans | 74 | 136.8 | 166.6 | -50.7 | -167.4 | 137.7 | 0 | 0 | 116.1 | | |
| 70 | H | 46 | Very low | 45.8 | Very low | 182 Ų | 182 | 134.2 Ų | 134.2 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | | | cis | -143.7 | 160.4 | -4.8 | -101.3 | 160.9 | 0 | 0 | 0 | 111.1 | | |
| 71 | P | 45.7 | Very low | 45.8 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | | | trans | -99.5 | 172.8 | -179.2 | 40.1 | -35.9 | 0 | 0 | 0 | 113.7 | | |
| 72 | L | 48.9 | Very low | 45.4 | Very low | 170 Ų | 170 | 136.2 Ų | 136.2 | 89% | 0.89 | 75% | 0.751 | S | S | * | * | | | trans | -176.5 | 132.9 | 134.4 | -103.9 | 167 | 0 | 0 | 0 | 113.5 | | |
| 73 | G | 44.5 | Very low | 45.2 | Very low | 64 Ų | 64 | 133.7 Ų | 133.7 | 66% | 0.66 | 75% | 0.745 | S | S | * | * | | | trans | 72.2 | 155.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 74 | D | 48.5 | Very low | 45.4 | Very low | 146 Ų | 146 | 134.9 Ų | 134.9 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | | | cis | -170.7 | 170.1 | -37.7 | -121.4 | -58.5 | 0 | 0 | 0 | 109.1 | | |
| 75 | E | 43.6 | Very low | 45.1 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | | | trans | 61.9 | 116.9 | 177.3 | -59.9 | -110.4 | 75.1 | 0 | 0 | 116.2 | | |
| 76 | R | 46.6 | Very low | 45.4 | Very low | 212 Ų | 212 | 135.4 Ų | 135.4 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | | | | 72.6 | 111 | 57.6 | -67.4 | 170.8 | 162.2 | -173.3 | 1.3 | 115.4 | | |
| 77 | T | 42 | Very low | 45.5 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | | | | 165.5 | 140.1 | 106.6 | -70 | 0 | 0 | 0 | 0 | 111.6 | | |
| 78 | S | 42.2 | Very low | 45.1 | Very low | 99 Ų | 99 | 131.4 Ų | 131.4 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | | | trans | -83.8 | 160.9 | 178.4 | -42.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 79 | T | 48.8 | Very low | 45.1 | Very low | 130 Ų | 130 | 130.8 Ų | 130.8 | 80% | 0.798 | 76% | 0.758 | S | S | * | * | | | | 170.6 | 148.8 | 117.3 | 34.5 | 0 | 0 | 0 | 0 | 115.7 | | |
| 80 | N | 41 | Very low | 45 | Very low | 131 Ų | 131 | 133 Ų | 133 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | | | trans | 35.5 | 118.9 | 146.9 | -78.9 | -35.8 | 0 | 0 | 0 | 124.6 | | |
| 81 | T | 39.3 | Very low | 44.7 | Very low | 105 Ų | 105 | 133.1 Ų | 133.1 | 64% | 0.644 | 77% | 0.766 | S | S | * | * | | | | 59.9 | 154 | 97.3 | -44.6 | 0 | 0 | 0 | 0 | 121 | | |
| 82 | H | 44.1 | Very low | 44.6 | Very low | 163 Ų | 163 | 135.5 Ų | 135.5 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | trans | 87.4 | 150.1 | 173 | -54.9 | -76.1 | 0 | 0 | 0 | 116.6 | | |
| 83 | S | 41.5 | Very low | 44.3 | Very low | 93 Ų | 93 | 131.7 Ų | 131.7 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | | | cis | -178 | 160.3 | -31.4 | -96.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 84 | S | 49 | Very low | 44.3 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | | | trans | 62.2 | 159.8 | 162.2 | 44.2 | 0 | 0 | 0 | 0 | 118 | | |
| 85 | S | 45.6 | Very low | 44.3 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | | | cis | -165.5 | -164 | -27.4 | -166.8 | 0 | 0 | 0 | 0 | 107.2 | | |
| 86 | I | 53 | Low | 44.4 | Very low | 158 Ų | 158 | 133.4 Ų | 133.4 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | | | trans | 74.2 | 152.5 | 170.6 | 93.9 | 177.2 | 0 | 0 | 0 | 116.6 | | |
| 87 | D | 44.7 | Very low | 44.2 | Very low | 158 Ų | 158 | 134.5 Ų | 134.5 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | | | | -174.3 | 161.9 | -51.6 | -113.5 | -63.9 | 0 | 0 | 0 | 106.9 | | |
| 88 | G | 42.8 | Very low | 44.6 | Very low | 76 Ų | 76 | 132.9 Ų | 132.9 | 78% | 0.784 | 76% | 0.761 | S | S | * | * | | | trans | 135.2 | 122.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 89 | A | 43.3 | Very low | 45.1 | Very low | 97 Ų | 97 | 134.2 Ų | 134.2 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | | | trans | -133.8 | 158.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 90 | K | 43.6 | Very low | 45.1 | Very low | 200 Ų | 200 | 131 Ų | 131 | 87% | 0.87 | 76% | 0.764 | S | S | * | * | | | trans | 15.4 | 131.4 | 158.6 | -64.5 | 178.8 | 175.2 | -179.9 | 0 | 119.2 | | |
| 91 | E | 40.6 | Very low | 45.5 | Very low | 185 Ų | 185 | 131.2 Ų | 131.2 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | | | | -149.4 | -174.4 | 120.4 | -127.5 | -144.1 | 105.4 | 0 | 0 | 113.4 | | |
| 92 | L | 42.8 | Very low | 45.9 | Very low | 157 Ų | 157 | 129.3 Ų | 129.3 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | | | trans | -119.3 | -174.6 | -172.6 | -106.8 | 78.4 | 0 | 0 | 0 | 112.1 | | |
| 93 | A | 43.9 | Very low | 46.2 | Very low | 90 Ų | 90 | 129.4 Ų | 129.4 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | | | trans | 95.1 | 111.7 | 153.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 94 | D | 43 | Very low | 46.3 | Very low | 141 Ų | 141 | 133.9 Ų | 133.9 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | | | | 40.3 | 119.4 | 126 | -158.7 | -96.8 | 0 | 0 | 0 | 121 | | |
| 95 | S | 49.9 | Very low | 46 | Very low | 83 Ų | 83 | 133 Ų | 133 | 58% | 0.58 | 79% | 0.794 | S | S | * | * | | | | -177.4 | 131.9 | 96.1 | -130.5 | 0 | 0 | 0 | 0 | 116.8 | | |
| 96 | K | 45.2 | Very low | 45.9 | Very low | 168 Ų | 168 | 135.3 Ų | 135.3 | 73% | 0.73 | 80% | 0.803 | S | S | * | * | | | trans | 57 | 139.4 | 136.8 | -77.2 | 170.1 | -175.9 | 145.9 | 0 | 124.8 | | |
| 97 | R | 41.8 | Very low | 45.4 | Very low | 235 Ų | 235 | 131.7 Ų | 131.7 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | | | trans | 73.3 | 151.1 | 148.3 | -75.3 | 175.2 | 171.7 | -161.8 | -4.2 | 117.2 | | |
| 98 | S | 50.7 | Low | 45.3 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | | | cis | 177.4 | 151.2 | -15.9 | 49.3 | 0 | 0 | 0 | 0 | 107.4 | | |
| 99 | S | 52.7 | Low | 45.4 | Very low | 126 Ų | 126 | 131 Ų | 131 | 88% | 0.881 | 80% | 0.8 | S | S | * | * | | | cis | -165.8 | 178.9 | -3.2 | -85.9 | 0 | 0 | 0 | 0 | 106.3 | | |
| 100 | G | 48.2 | Very low | 45.4 | Very low | 64 Ų | 64 | 131.4 Ų | 131.4 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | | | cis | 171 | -176.2 | 3.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 101 | S | 50.3 | Low | 45.4 | Very low | 134 Ų | 134 | 128.1 Ų | 128.1 | 94% | 0.937 | 79% | 0.794 | S | S | * | * | | | trans | 60.7 | 148.6 | -178.8 | -64.4 | 0 | 0 | 0 | 0 | 116.4 | | |
| 102 | G | 47.9 | Very low | 45.4 | Very low | 66 Ų | 66 | 128.3 Ų | 128.3 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | | | cis | 164.1 | 149.2 | -2 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 103 | D | 49.3 | Very low | 45.5 | Very low | 165 Ų | 165 | 125 Ų | 125 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | | | cis | -149.6 | 172.5 | 3.6 | -102.6 | -77.2 | 0 | 0 | 0 | 110.7 | | |
| 104 | Q | 43.8 | Very low | 45.3 | Very low | 186 Ų | 186 | 126.7 Ų | 126.7 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | | | trans | -106.5 | 148.9 | -179.9 | -66.4 | -177.9 | 88.6 | 0 | 0 | 113.1 | | |
| 105 | A | 42.6 | Very low | 45.4 | Very low | 105 Ų | 105 | 128.4 Ų | 128.4 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | | | trans | -156.5 | 110 | 147.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 106 | V | 43.6 | Very low | 45 | Very low | 147 Ų | 147 | 130.3 Ų | 130.3 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | | | trans | -98 | 149.7 | 161 | -70.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 107 | G | 42.4 | Very low | 44.8 | Very low | 82 Ų | 82 | 125.4 Ų | 125.4 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | | | trans | -174.9 | 90 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 108 | S | 42.7 | Very low | 45.1 | Very low | 113 Ų | 113 | 121.1 Ų | 121.1 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | trans | -91.5 | 169 | -178.7 | -57.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 109 | S | 44.5 | Very low | 45.1 | Very low | 105 Ų | 105 | 124.9 Ų | 124.9 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | trans | 91.1 | 99.1 | 146.9 | -54.3 | 0 | 0 | 0 | 0 | 120.3 | | |
| 110 | S | 43.5 | Very low | 44.9 | Very low | 107 Ų | 107 | 126.2 Ų | 126.2 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | | 87.5 | 143.4 | 112.4 | -62.8 | 0 | 0 | 0 | 0 | 123 | | |
| 111 | T | 44 | Very low | 45 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | | | trans | 75.2 | 92 | 146.1 | 41 | 0 | 0 | 0 | 0 | 121.8 | | |
| 112 | K | 41.7 | Very low | 44.9 | Very low | 190 Ų | 190 | 128.5 Ų | 128.5 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | | | | 87.1 | 133.6 | 101.2 | -176 | 179 | 175.4 | -174.4 | 0 | 120.2 | | |
| 113 | S | 44.3 | Very low | 44.7 | Very low | 87 Ų | 87 | 130.6 Ų | 130.6 | 61% | 0.608 | 78% | 0.781 | S | S | * | * | | | trans | 88.4 | 107.9 | 152.3 | -88 | 0 | 0 | 0 | 0 | 121.8 | | |
| 114 | T | 40.2 | Very low | 44.5 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | | | | 57.8 | 115.1 | 114.5 | -35.7 | 0 | 0 | 0 | 0 | 119.2 | | |
| 115 | K | 44 | Very low | 44.3 | Very low | 177 Ų | 177 | 123.4 Ų | 123.4 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | | | | 161.1 | 131.4 | 96.7 | -152.4 | -166.9 | 170.1 | -173.9 | 0 | 114.6 | | |
| 116 | T | 42.4 | Very low | 44.4 | Very low | 123 Ų | 123 | 124.9 Ų | 124.9 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | trans | 47.2 | 135 | 150.8 | 51 | 0 | 0 | 0 | 0 | 124.7 | | |
| 117 | G | 39.9 | Very low | 44.4 | Very low | 66 Ų | 66 | 124.6 Ų | 124.6 | 68% | 0.68 | 75% | 0.746 | S | S | * | * | | | trans | 161.4 | 116.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 118 | I | 48.2 | Very low | 44.4 | Very low | 145 Ų | 145 | 128.2 Ų | 128.2 | 74% | 0.744 | 74% | 0.741 | S | S | * | * | | | | 54.5 | 131.1 | 51.7 | -26.1 | 177.1 | 0 | 0 | 0 | 110 | | |
| 119 | E | 51.8 | Low | 44.4 | Very low | 180 Ų | 180 | 130.3 Ų | 130.3 | 84% | 0.841 | 74% | 0.738 | S | S | * | * | | | cis | -149.8 | 161 | 18.1 | -6.1 | -156.2 | 84.6 | 0 | 0 | 109.5 | | |
| 120 | D | 47.9 | Very low | 44.4 | Very low | 154 Ų | 154 | 132.5 Ų | 132.5 | 82% | 0.824 | 74% | 0.737 | S | S | * | * | | | cis | -165.8 | -112.5 | -26.8 | -172 | -103.1 | 0 | 0 | 0 | 109.1 | | |
| 121 | D | 51 | Low | 44.5 | Very low | 135 Ų | 135 | 135.9 Ų | 135.9 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | | | trans | 84.9 | 86.1 | 163.8 | -106.6 | -39.2 | 0 | 0 | 0 | 121.7 | | |
| 122 | T | 47.2 | Very low | 44.3 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 68% | 0.681 | 73% | 0.734 | S | S | * | * | | | | 41.4 | 143.4 | 126.2 | 70.7 | 0 | 0 | 0 | 0 | 121.4 | | |
| 123 | S | 44.8 | Very low | 44.5 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 76% | 0.762 | 73% | 0.728 | S | S | * | * | | | cis | -169.6 | 179.1 | -8.3 | -93.3 | 0 | 0 | 0 | 0 | 106.8 | | |
| 124 | S | 43.8 | Very low | 44.6 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 72% | 0.72 | 73% | 0.734 | S | S | * | * | | | cis | -154.6 | 161.5 | 7.7 | -122.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 125 | S | 40.4 | Very low | 44.9 | Very low | 97 Ų | 97 | 137 Ų | 137 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | | | | 59.7 | 129.6 | 73.9 | -145.5 | 0 | 0 | 0 | 0 | 115.2 | | |
| 126 | L | 44.4 | Very low | 45.1 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 72% | 0.717 | 73% | 0.73 | S | S | * | * | | | cis | -167.8 | 170 | -9.8 | -119.6 | 177.8 | 0 | 0 | 0 | 109.6 | | |
| 127 | Q | 44.2 | Very low | 45.3 | Very low | 141 Ų | 141 | 139.1 Ų | 139.1 | 66% | 0.659 | 73% | 0.728 | S | S | * | * | | | trans | 57.1 | 134.9 | 165.6 | -97.9 | 99.9 | 4.5 | 0 | 0 | 118.6 | | |
| 128 | Q | 40.9 | Very low | 46 | Very low | 158 Ų | 158 | 144.9 Ų | 144.9 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | | | | 94.9 | 142.7 | 51.8 | -169.1 | 174.8 | 8.6 | 0 | 0 | 113.3 | | |
| 129 | Q | 43.6 | Very low | 45.8 | Very low | 156 Ų | 156 | 145.4 Ų | 145.4 | 73% | 0.729 | 74% | 0.741 | S | S | * | * | | | trans | 78 | 99.1 | 170 | -144.3 | 155.6 | -9.5 | 0 | 0 | 115.2 | | |
| 130 | Q | 44.2 | Very low | 45.9 | Very low | 151 Ų | 151 | 145.2 Ų | 145.2 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | | | | 77.1 | 138.6 | 88.3 | -75.7 | -176.1 | 2.5 | 0 | 0 | 116.1 | | |
| 131 | Q | 45.3 | Very low | 45.7 | Very low | 178 Ų | 178 | 146 Ų | 146 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | | | trans | 68.4 | 153.2 | 169.9 | -59.6 | 167.4 | 54.7 | 0 | 0 | 114.5 | | |
| 132 | N | 40.3 | Very low | 45.4 | Very low | 121 Ų | 121 | 142.8 Ų | 142.8 | 65% | 0.647 | 74% | 0.738 | S | S | * | * | | | cis | -168.7 | -180 | -20.8 | -178.7 | 16.6 | 0 | 0 | 0 | 106.4 | | |
| 133 | H | 45 | Very low | 45.4 | Very low | 153 Ų | 153 | 144.8 Ų | 144.8 | 71% | 0.708 | 74% | 0.743 | S | S | * | * | | | trans | 88.3 | 78.4 | 166.2 | -45.9 | 104 | 0 | 0 | 0 | 119.7 | | |
| 134 | Q | 47.2 | Very low | 45.4 | Very low | 155 Ų | 155 | 145 Ų | 145 | 72% | 0.724 | 74% | 0.739 | S | S | * | * | | | | 46 | 146.4 | 114.8 | -77.8 | -178.8 | -24.6 | 0 | 0 | 124.9 | | |
| 135 | H | 47.3 | Very low | 45.3 | Very low | 128 Ų | 128 | 147.4 Ų | 147.4 | 59% | 0.593 | 74% | 0.744 | S | S | * | * | | | trans | 73.6 | 114.9 | 151.4 | -65.4 | -50.4 | 0 | 0 | 0 | 121.1 | | |
| 136 | H | 47.6 | Very low | 45.4 | Very low | 188 Ų | 188 | 146.2 Ų | 146.2 | 87% | 0.87 | 75% | 0.747 | S | S | * | * | | | | -153.7 | 150.6 | 97.4 | -105.9 | 65.6 | 0 | 0 | 0 | 112.1 | | |
| 137 | H | 47.1 | Very low | 45.4 | Very low | 155 Ų | 155 | 148 Ų | 148 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | | | trans | -105.7 | 156 | 175.9 | -75.8 | -98 | 0 | 0 | 0 | 111.2 | | |
| 138 | H | 53.5 | Low | 45.3 | Very low | 188 Ų | 188 | 146 Ų | 146 | 87% | 0.87 | 75% | 0.754 | S | S | * | * | | | trans | -143 | 134.6 | 146.1 | -102.9 | 52.2 | 0 | 0 | 0 | 109.3 | | |
| 139 | N | 44.7 | Very low | 45.4 | Very low | 155 Ų | 155 | 147.7 Ų | 147.7 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | | | trans | -154.1 | 143.1 | 172.7 | -170 | 4.1 | 0 | 0 | 0 | 107.8 | | |
| 140 | H | 53.1 | Low | 45.1 | Very low | 176 Ų | 176 | 147 Ų | 147 | 82% | 0.815 | 77% | 0.765 | S | S | * | * | | | trans | -119.1 | 144.9 | -170.8 | -121.7 | -89.3 | 0 | 0 | 0 | 112.9 | | |
| 141 | H | 45.2 | Very low | 45 | Very low | 171 Ų | 171 | 144.7 Ų | 144.7 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | | | trans | -115.3 | 153.2 | -160.7 | -168.3 | -99.8 | 0 | 0 | 0 | 112.4 | | |
| 142 | G | 42.9 | Very low | 44.7 | Very low | 68 Ų | 68 | 143.2 Ų | 143.2 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | | | trans | -164.9 | 72.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 143 | L | 47.7 | Very low | 44.9 | Very low | 152 Ų | 152 | 141 Ų | 141 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | | | trans | 37 | 115 | 146 | -53.1 | 173.9 | 0 | 0 | 0 | 119.4 | | |
| 144 | V | 45.7 | Very low | 44.8 | Very low | 113 Ų | 113 | 141 Ų | 141 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | | | cis | 95.6 | 111.3 | 48 | 172.3 | 0 | 0 | 0 | 0 | 115.1 | | |
| 145 | N | 40.8 | Very low | 44.7 | Very low | 154 Ų | 154 | 137.7 Ų | 137.7 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | | | trans | 43.4 | 132.2 | 152.3 | -63.8 | 12 | 0 | 0 | 0 | 123.7 | | |
| 146 | G | 42.8 | Very low | 44.4 | Very low | 72 Ų | 72 | 139.2 Ų | 139.2 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | | | trans | -158 | 104.4 | 165 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 147 | H | 45.3 | Very low | 44.2 | Very low | 175 Ų | 175 | 135 Ų | 135 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | | | trans | -27.9 | 141.8 | 165.4 | -53.3 | 98 | 0 | 0 | 0 | 115.9 | | |
| 148 | S | 41.6 | Very low | 44 | Very low | 100 Ų | 100 | 139.3 Ų | 139.3 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | | | cis | 118.5 | 136.8 | 30.3 | -83.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 149 | K | 42.9 | Very low | 43.5 | Very low | 193 Ų | 193 | 135.3 Ų | 135.3 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | | | trans | 73.2 | 107.7 | 159.1 | -64.3 | 173.5 | -177 | 179.2 | 0 | 121 | | |
| 150 | T | 36.1 | Very low | 43.8 | Very low | 142 Ų | 142 | 133.5 Ų | 133.5 | 87% | 0.871 | 79% | 0.79 | S | S | * | * | | | | 41.7 | 116.4 | 116.9 | -39.7 | 0 | 0 | 0 | 0 | 121.2 | | |
| 151 | A | 42.4 | Very low | 43.4 | Very low | 102 Ų | 102 | 131 Ų | 131 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | trans | -155.1 | 152.7 | 146.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 152 | T | 39.1 | Very low | 43.3 | Very low | 146 Ų | 146 | 132.5 Ų | 132.5 | 90% | 0.896 | 79% | 0.791 | S | S | * | * | | | trans | -110.3 | 148.3 | 178.4 | 43 | 0 | 0 | 0 | 0 | 112.1 | | |
| 153 | G | 45.9 | Very low | 43.5 | Very low | 74 Ų | 74 | 138 Ų | 138 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | | | trans | 165.1 | 109.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 154 | N | 41 | Very low | 43.5 | Very low | 154 Ų | 154 | 138.9 Ų | 138.9 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | | | cis | 115.2 | 136.5 | 23.5 | -167.7 | 60.2 | 0 | 0 | 0 | 110.2 | | |
| 155 | S | 45.8 | Very low | 44.1 | Very low | 86 Ų | 86 | 143.2 Ų | 143.2 | 60% | 0.601 | 80% | 0.8 | S | S | * | * | | | trans | 75 | 103.9 | 168.8 | -63.1 | 0 | 0 | 0 | 0 | 122.2 | | |
| 156 | D | 40.6 | Very low | 45 | Very low | 159 Ų | 159 | 141.2 Ų | 141.2 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | | | | 39.1 | 122.1 | 121.3 | -58.6 | -81.2 | 0 | 0 | 0 | 123 | | |
| 157 | A | 43.9 | Very low | 45.9 | Very low | 100 Ų | 100 | 143.3 Ų | 143.3 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | | | | -168.6 | 109.6 | 129.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 158 | R | 42.1 | Very low | 47.3 | Very low | 246 Ų | 246 | 140.3 Ų | 140.3 | 93% | 0.928 | 79% | 0.792 | S | S | * | * | | | | 70.1 | 107.7 | 126.3 | -158.3 | 171 | -171.1 | 177.9 | 2.8 | 122.8 | | |
| 159 | S | 43.9 | Very low | 49 | Very low | 103 Ų | 103 | 141.2 Ų | 141.2 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | | | trans | -60.3 | 170.4 | 161.5 | -31.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 160 | P | 50.1 | Low | 50.5 | Low | 118 Ų | 118 | 137.7 Ų | 137.7 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | | | | -156.7 | 139.7 | 83.8 | 38.8 | -17.7 | 0 | 0 | 0 | 120.6 | | |
| 161 | V | 45 | Very low | 52.3 | Low | 122 Ų | 122 | 137.1 Ų | 137.1 | 74% | 0.739 | 79% | 0.791 | S | S | * | * | | | trans | 47.9 | 117.4 | 130.6 | -175 | 0 | 0 | 0 | 0 | 123 | K163 | V161-K163 HydrophobicContact CG1-CB 4.42Š|
| 162 | K | 43.8 | Very low | 53.3 | Low | 204 Ų | 204 | 137.2 Ų | 137.2 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | | | trans | -156.2 | 139.7 | 130.7 | -93.7 | 167.2 | -173.3 | 176.2 | 0 | 107.2 | | |
| 163 | K | 46.2 | Very low | 54.2 | Low | 182 Ų | 182 | 134.7 Ų | 134.7 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | | | cis | 97.7 | 140 | 8.6 | -157.8 | 179.2 | 177.7 | -175.9 | 0 | 116.2 | V161 | V161-K163 HydrophobicContact CG1-CB 4.42Š|
| 164 | E | 48.3 | Very low | 55.4 | Low | 171 Ų | 171 | 137 Ų | 137 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | | | trans | 77.4 | 136.9 | 179.7 | -58.8 | -148.8 | 96.6 | 0 | 0 | 115.7 | | |
| 165 | R | 57.2 | Low | 56 | Low | 204 Ų | 204 | 135 Ų | 135 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | | | cis | -160.9 | 134.1 | -6 | -175.8 | -177.9 | -162.2 | -94.9 | 9.4 | 111.6 | | |
| 166 | P | 61.5 | Low | 56.2 | Low | 113 Ų | 113 | 137.5 Ų | 137.5 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 173.3 | 172.1 | -15.2 | 32.6 | 0 | 0 | 0 | 115.6 | | |
| 167 | P | 60 | Low | 56.6 | Low | 116 Ų | 116 | 137.9 Ų | 137.9 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 167.4 | -165.9 | 37.1 | -37.3 | 0 | 0 | 0 | 116.2 | | |
| 168 | P | 76.5 | Confident | 56.4 | Low | 112 Ų | 112 | 136.9 Ų | 136.9 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 156.8 | 175.6 | 35.1 | -35.5 | 0 | 0 | 0 | 114.3 | | |
| 169 | P | 76.4 | Confident | 56.5 | Low | 118 Ų | 118 | 134.9 Ų | 134.9 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 165.1 | 179.9 | 37.1 | -36.5 | 0 | 0 | 0 | 114.4 | | |
| 170 | P | 75 | Confident | 56.3 | Low | 120 Ų | 120 | 134.3 Ų | 134.3 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 155 | 174.4 | 33.4 | -35.8 | 0 | 0 | 0 | 113.5 | | |
| 171 | P | 73.3 | Confident | 56 | Low | 129 Ų | 129 | 137.2 Ų | 137.2 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 158.9 | 177.9 | 33 | -35.6 | 0 | 0 | 0 | 113.7 | | |
| 172 | A | 62.8 | Low | 55.7 | Low | 104 Ų | 104 | 136.7 Ų | 136.7 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 165.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 173 | A | 57.9 | Low | 55.6 | Low | 93 Ų | 93 | 131.9 Ų | 131.9 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 153.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 174 | P | 71.3 | Confident | 55.5 | Low | 124 Ų | 124 | 128.6 Ų | 128.6 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 143.1 | 163.1 | 34.8 | -31.3 | 0 | 0 | 0 | 111.7 | | |
| 175 | P | 54.2 | Low | 55.3 | Low | 110 Ų | 110 | 128.6 Ų | 128.6 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 169.6 | -179.3 | 38.5 | -35.2 | 0 | 0 | 0 | 114.2 | | |
| 176 | V | 49.2 | Very low | 54.5 | Low | 139 Ų | 139 | 124.1 Ų | 124.1 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | | | trans | 49.1 | 119.9 | 161.6 | -65.5 | 0 | 0 | 0 | 0 | 119.8 | | |
| 177 | N | 49.5 | Very low | 53.6 | Low | 167 Ų | 167 | 121.6 Ų | 121.6 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | | | | -145.4 | 153.5 | 115.3 | -155.2 | -1 | 0 | 0 | 0 | 110 | | |
| 178 | A | 40.5 | Very low | 52.9 | Low | 80 Ų | 80 | 126.8 Ų | 126.8 | 66% | 0.661 | 80% | 0.797 | S | S | * | * | | | trans | -127.9 | 131.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 179 | Q | 43.1 | Very low | 51 | Low | 204 Ų | 204 | 125 Ų | 125 | 95% | 0.953 | 80% | 0.798 | S | S | * | * | | | trans | -170.1 | 167.2 | 141 | -109.5 | 168.7 | 14.9 | 0 | 0 | 112.8 | | |
| 180 | A | 39.9 | Very low | 49.5 | Very low | 91 Ų | 91 | 124.8 Ų | 124.8 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | | | trans | -49.3 | 148.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 181 | L | 44.2 | Very low | 48 | Very low | 179 Ų | 179 | 124.9 Ų | 124.9 | 94% | 0.937 | 80% | 0.799 | S | S | * | * | | | | -145.1 | 117.8 | 128.2 | -105.9 | 175 | 0 | 0 | 0 | 109.4 | | |
| 182 | S | 39.5 | Very low | 46.7 | Very low | 110 Ų | 110 | 124.4 Ų | 124.4 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | | | trans | -92.9 | 130.1 | 177.5 | 52.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 183 | A | 42.2 | Very low | 45.7 | Very low | 104 Ų | 104 | 122.9 Ų | 122.9 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | -124.8 | 120.3 | 169 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 184 | S | 42.2 | Very low | 44.8 | Very low | 112 Ų | 112 | 124.3 Ų | 124.3 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | | | trans | -82.4 | 155.4 | -175.6 | -40.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 185 | I | 45.1 | Very low | 43.6 | Very low | 171 Ų | 171 | 123.1 Ų | 123.1 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | | | trans | -153.2 | 148 | 140.4 | -103.3 | 147.4 | 0 | 0 | 0 | 109.4 | | |
| 186 | S | 40 | Very low | 43 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | | | trans | -71.7 | 175.9 | -172.8 | -42.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 187 | A | 43.5 | Very low | 42.8 | Very low | 61 Ų | 61 | 122.9 Ų | 122.9 | 50% | 0.504 | 80% | 0.795 | S | S | . | * | | | cis | -159.1 | -165.4 | 18.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 188 | Y | 44.7 | Very low | 42.8 | Very low | 225 Ų | 225 | 120.5 Ų | 120.5 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | | | trans | 44.3 | 119.1 | 160.8 | 32 | -117.7 | 0 | 0 | 0 | 119.6 | | |
| 189 | G | 36.9 | Very low | 42.9 | Very low | 73 Ų | 73 | 123.8 Ų | 123.8 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | | | cis | 128.8 | 84.9 | -8.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 190 | S | 44 | Very low | 42.8 | Very low | 115 Ų | 115 | 120.2 Ų | 120.2 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | -167.4 | 125.3 | 154.8 | -83.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 191 | T | 44.1 | Very low | 43 | Very low | 122 Ų | 122 | 120.5 Ų | 120.5 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | | | trans | 10.6 | 148.3 | 139.6 | 58.4 | 0 | 0 | 0 | 0 | 120.9 | | |
| 192 | S | 45.9 | Very low | 42.9 | Very low | 118 Ų | 118 | 119 Ų | 119 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | cis | -175.6 | 153.3 | -8.2 | -93 | 0 | 0 | 0 | 0 | 109.7 | | |
| 193 | G | 41.2 | Very low | 42.9 | Very low | 73 Ų | 73 | 118.6 Ų | 118.6 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | | | trans | 116.8 | 112.5 | 151.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 194 | S | 40.6 | Very low | 43.2 | Very low | 123 Ų | 123 | 118.6 Ų | 118.6 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | | | trans | 51.1 | 148 | 148.1 | -66 | 0 | 0 | 0 | 0 | 122.5 | | |
| 195 | S | 46 | Very low | 43.2 | Very low | 98 Ų | 98 | 123.7 Ų | 123.7 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | | | cis | -175.5 | 156.5 | -23.3 | 48.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 196 | C | 41.3 | Very low | 42.9 | Very low | 120 Ų | 120 | 120.7 Ų | 120.7 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | | | trans | 74.7 | 113.7 | 168.4 | -54.3 | 0 | 0 | 0 | 0 | 117.9 | | |
| 197 | P | 44.9 | Very low | 43 | Very low | 125 Ų | 125 | 119.3 Ų | 119.3 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | | | trans | -106.9 | -153.3 | 169.2 | 47.1 | -37.4 | 0 | 0 | 0 | 110 | | |
| 198 | P | 49.4 | Very low | 43.1 | Very low | 116 Ų | 116 | 123.4 Ų | 123.4 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | trans | -113 | 172.6 | -130.1 | 19 | 6.8 | 0 | 0 | 0 | 115.7 | | |
| 199 | V | 42.2 | Very low | 42.8 | Very low | 149 Ų | 149 | 121.4 Ų | 121.4 | 90% | 0.903 | 78% | 0.777 | S | S | * | * | | | trans | -115.4 | 146.7 | 171.1 | 157.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 200 | V | 41.6 | Very low | 42.9 | Very low | 130 Ų | 130 | 122.6 Ų | 122.6 | 79% | 0.788 | 77% | 0.774 | S | S | * | * | | | trans | -130.4 | 125.7 | -171.3 | -178.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 201 | A | 42.9 | Very low | 42.8 | Very low | 96 Ų | 96 | 125.2 Ų | 125.2 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | | | trans | -158.7 | 117.7 | 158.5 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 202 | N | 42 | Very low | 42.3 | Very low | 148 Ų | 148 | 128.8 Ų | 128.8 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | | | cis | 79.1 | 89.8 | 31.1 | -163.4 | 38.9 | 0 | 0 | 0 | 115.6 | | |
| 203 | S | 39.7 | Very low | 41.7 | Very low | 102 Ų | 102 | 126.9 Ų | 126.9 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | | | | 156.5 | 130.5 | 120.9 | -169.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 204 | P | 49.5 | Very low | 41.5 | Very low | 104 Ų | 104 | 128.7 Ų | 128.7 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | | | trans | -87.6 | 159.9 | 163 | 36.5 | -32.8 | 0 | 0 | 0 | 111.3 | | |
| 205 | Y | 41.7 | Very low | 41.2 | Very low | 218 Ų | 218 | 127.8 Ų | 127.8 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | | | trans | 176.2 | 161.4 | 135.6 | -117 | -87.5 | 0 | 0 | 0 | 111.7 | | |
| 206 | S | 39.7 | Very low | 40.9 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | | | trans | 70.4 | 152 | 161.6 | -61.7 | 0 | 0 | 0 | 0 | 118.7 | | |
| 207 | A | 41.8 | Very low | 40.6 | Very low | 80 Ų | 80 | 131.1 Ų | 131.1 | 66% | 0.661 | 80% | 0.797 | S | S | * | * | | | cis | -163.9 | 138.4 | -23.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 208 | L | 43.9 | Very low | 40.1 | Very low | 147 Ų | 147 | 129.9 Ų | 129.9 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | | | trans | 52.6 | 125.3 | 136.1 | -60 | -179 | 0 | 0 | 0 | 124 | | |
| 209 | F | 39.2 | Very low | 39.3 | Very low | 183 Ų | 183 | 128.7 Ų | 128.7 | 80% | 0.803 | 80% | 0.798 | S | S | * | * | | | trans | 78.1 | 138.4 | 137 | -79.7 | -58 | 0 | 0 | 0 | 123.8 | | |
| 210 | S | 40 | Very low | 38.8 | Very low | 99 Ų | 99 | 126.5 Ų | 126.5 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | | | trans | 75.5 | 155.6 | 152.8 | -66.7 | 0 | 0 | 0 | 0 | 118.7 | | |
| 211 | H | 41.3 | Very low | 38.4 | Very low | 170 Ų | 170 | 124.9 Ų | 124.9 | 79% | 0.787 | 80% | 0.795 | S | S | * | * | | | cis | -140.8 | 171.4 | 5.1 | -135.3 | -73 | 0 | 0 | 0 | 113.2 | | |
| 212 | F | 33.7 | Very low | 38 | Very low | 196 Ų | 196 | 125 Ų | 125 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | | | trans | -56.8 | 134.4 | 179.3 | -78.9 | -116.8 | 0 | 0 | 0 | 116.2 | | |
| 213 | G | 32.5 | Very low | 37.5 | Very low | 79 Ų | 79 | 122.9 Ų | 122.9 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | | | | 67.8 | 133.8 | 108.6 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 214 | A | 36.8 | Very low | 37.4 | Very low | 110 Ų | 110 | 122.2 Ų | 122.2 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | | | trans | -157.1 | 151.7 | 150.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 215 | A | 35.1 | Very low | 36.8 | Very low | 104 Ų | 104 | 125.1 Ų | 125.1 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | | | trans | -139.5 | 145.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 216 | S | 39.3 | Very low | 36.8 | Very low | 118 Ų | 118 | 121.1 Ų | 121.1 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | | | trans | -156.2 | 134 | 174.9 | 50.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 217 | N | 36.5 | Very low | 36.7 | Very low | 170 Ų | 170 | 123.1 Ų | 123.1 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | | | trans | -95.4 | 161.9 | 180 | -56.8 | -53.3 | 0 | 0 | 0 | 111.7 | | |
| 218 | A | 32.9 | Very low | 37.1 | Very low | 100 Ų | 100 | 123.7 Ų | 123.7 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | | | trans | 145.3 | 156.1 | 148.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 219 | A | 32.8 | Very low | 36.6 | Very low | 91 Ų | 91 | 125.8 Ų | 125.8 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | | | cis | 163 | 164.4 | -31.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 220 | A | 32.2 | Very low | 36.7 | Very low | 103 Ų | 103 | 123.2 Ų | 123.2 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | | | trans | 67.2 | 153.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 221 | A | 32.6 | Very low | 36.6 | Very low | 95 Ų | 95 | 124.7 Ų | 124.7 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | | | cis | -165.9 | -178.4 | -20.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 222 | A | 35.1 | Very low | 36.4 | Very low | 98 Ų | 98 | 122.5 Ų | 122.5 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | | | trans | 67 | 115.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 223 | A | 32.3 | Very low | 36.6 | Very low | 105 Ų | 105 | 121.5 Ų | 121.5 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | | | cis | 86.1 | 85.4 | 14.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 224 | A | 37.6 | Very low | 36.7 | Very low | 87 Ų | 87 | 120.9 Ų | 120.9 | 72% | 0.719 | 80% | 0.799 | S | S | * | * | | | trans | -147.4 | 127.1 | 145.7 | 0 | 0 | 0 | 0 | 0 | 105.8 | | |
| 225 | L | 36.8 | Very low | 36.7 | Very low | 165 Ų | 165 | 123.2 Ų | 123.2 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | | | | 59.9 | 117.4 | 65.5 | -58.6 | 179.9 | 0 | 0 | 0 | 110.8 | | |
| 226 | T | 41.7 | Very low | 37.1 | Very low | 134 Ų | 134 | 125.2 Ų | 125.2 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | | | cis | -149.4 | 172.9 | 10.6 | 52.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 227 | N | 36 | Very low | 37.2 | Very low | 152 Ų | 152 | 126.8 Ų | 126.8 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | | | trans | -140.4 | 166.8 | 163.9 | -143.2 | 3.1 | 0 | 0 | 0 | 105.8 | | |
| 228 | P | 50.5 | Low | 37.4 | Very low | 91 Ų | 91 | 121.7 Ų | 121.7 | 59% | 0.591 | 78% | 0.783 | S | S | * | * | | | cis | -135.9 | -152 | -3.5 | 33.6 | -8.4 | 0 | 0 | 0 | 113.7 | | |
| 229 | F | 34.4 | Very low | 37.8 | Very low | 192 Ų | 192 | 122.6 Ų | 122.6 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | | | trans | 88.6 | 155.6 | 164.3 | -79.3 | -80.6 | 0 | 0 | 0 | 121.3 | | |
| 230 | V | 40.2 | Very low | 38.1 | Very low | 128 Ų | 128 | 125.5 Ų | 125.5 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | trans | 65.7 | 102.9 | 169.5 | -155 | 0 | 0 | 0 | 0 | 115.3 | | |
| 231 | V | 37.5 | Very low | 38.4 | Very low | 131 Ų | 131 | 127.5 Ų | 127.5 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | | | | 83.3 | 111.7 | 59.7 | 174.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 232 | N | 37.2 | Very low | 38.7 | Very low | 123 Ų | 123 | 126.7 Ų | 126.7 | 66% | 0.658 | 79% | 0.789 | S | S | * | * | | | trans | 81.6 | 145.1 | 152.7 | -154.8 | 16.8 | 0 | 0 | 0 | 120.7 | | |
| 233 | H | 38.1 | Very low | 38.8 | Very low | 175 Ų | 175 | 127.2 Ų | 127.2 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | | | trans | 49.3 | 140.6 | 176 | -57.1 | -61.9 | 0 | 0 | 0 | 118 | | |
| 234 | G | 34.8 | Very low | 38.9 | Very low | 67 Ų | 67 | 127 Ų | 127 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | | | cis | 133.8 | 167.8 | 5.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 235 | L | 37.8 | Very low | 38.8 | Very low | 159 Ų | 159 | 127 Ų | 127 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | | | trans | 85.4 | 104.5 | 164.1 | -150.6 | 76 | 0 | 0 | 0 | 119.9 | | |
| 236 | L | 43.3 | Very low | 38.8 | Very low | 145 Ų | 145 | 123.7 Ų | 123.7 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | | | trans | 49.6 | 119.7 | 139.3 | -55.9 | 174 | 0 | 0 | 0 | 122.6 | | |
| 237 | T | 41.8 | Very low | 38.4 | Very low | 151 Ų | 151 | 121.6 Ų | 121.6 | 93% | 0.926 | 78% | 0.784 | S | S | * | * | | | | 176.1 | 145.8 | 111.8 | 27.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 238 | G | 39.6 | Very low | 38.5 | Very low | 64 Ų | 64 | 120.5 Ų | 120.5 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | | | cis | 177 | 160.5 | -9.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 239 | S | 40.7 | Very low | 38 | Very low | 118 Ų | 118 | 119.7 Ų | 119.7 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | trans | 72.1 | 151.3 | 172.1 | -59.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 240 | L | 39.8 | Very low | 38.2 | Very low | 153 Ų | 153 | 119 Ų | 119 | 80% | 0.801 | 80% | 0.8 | S | S | * | * | | | cis | -172.4 | 172.2 | -43.8 | -112.7 | 164.6 | 0 | 0 | 0 | 110.5 | | |
| 241 | T | 39.8 | Very low | 38.5 | Very low | 144 Ų | 144 | 117.4 Ų | 117.4 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | 72.3 | 138.9 | -169.9 | 75 | 0 | 0 | 0 | 0 | 114.1 | | |
| 242 | G | 38 | Very low | 38.4 | Very low | 79 Ų | 79 | 121.9 Ų | 121.9 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | | | cis | 157 | 138.4 | -2.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 243 | A | 37.4 | Very low | 38.8 | Very low | 109 Ų | 109 | 121.2 Ų | 121.2 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | | | cis | -141.8 | -177.2 | 22.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 244 | A | 33.6 | Very low | 39 | Very low | 99 Ų | 99 | 119.2 Ų | 119.2 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -94.2 | -171.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 245 | A | 36.6 | Very low | 38.9 | Very low | 89 Ų | 89 | 126 Ų | 126 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | | | cis | -161.7 | 170 | 20.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 246 | A | 35.5 | Very low | 38.9 | Very low | 95 Ų | 95 | 124.1 Ų | 124.1 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | | | trans | 41.3 | 129 | 145 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 247 | A | 34.6 | Very low | 38.3 | Very low | 90 Ų | 90 | 121.2 Ų | 121.2 | 74% | 0.744 | 82% | 0.819 | S | S | * | * | | | cis | 102.6 | 122.5 | 27.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 248 | S | 37.3 | Very low | 38.1 | Very low | 129 Ų | 129 | 121.3 Ų | 121.3 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | | | trans | 55.5 | 108 | 149.5 | -53.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 249 | G | 39.7 | Very low | 37.9 | Very low | 74 Ų | 74 | 124.2 Ų | 124.2 | 76% | 0.763 | 82% | 0.823 | S | S | * | * | | | trans | 173.9 | 66.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 250 | L | 40.3 | Very low | 37.4 | Very low | 177 Ų | 177 | 123.5 Ų | 123.5 | 93% | 0.927 | 81% | 0.814 | S | S | * | * | | | trans | 62.3 | 170.9 | 154.8 | -73.5 | 168.3 | 0 | 0 | 0 | 118.1 | | |
| 251 | P | 44.8 | Very low | 37.4 | Very low | 95 Ų | 95 | 120.3 Ų | 120.3 | 62% | 0.617 | 81% | 0.81 | S | S | * | * | | | trans | -109.6 | 156.6 | -156 | 40.1 | -34.5 | 0 | 0 | 0 | 116 | | |
| 252 | Y | 36 | Very low | 37.1 | Very low | 225 Ų | 225 | 121.4 Ų | 121.4 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | | | | 173.6 | 155.4 | 124.7 | -96.1 | -74.4 | 0 | 0 | 0 | 108.3 | | |
| 253 | P | 46.4 | Very low | 36.8 | Very low | 108 Ų | 108 | 120.3 Ų | 120.3 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | | | trans | -98.6 | 145.6 | -158.3 | 36.5 | -34.4 | 0 | 0 | 0 | 115 | | |
| 254 | C | 40.7 | Very low | 36.7 | Very low | 134 Ų | 134 | 120.1 Ų | 120.1 | 91% | 0.905 | 79% | 0.79 | S | S | * | * | | | trans | -135.1 | 137.3 | 159.7 | -91.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 255 | F | 33.4 | Very low | 37.2 | Very low | 210 Ų | 210 | 119.8 Ų | 119.8 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | | | trans | -77 | 133 | 178.5 | -84.5 | -116.5 | 0 | 0 | 0 | 111.3 | | |
| 256 | S | 38.7 | Very low | 37.5 | Very low | 118 Ų | 118 | 125.3 Ų | 125.3 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | trans | -144.1 | 113.2 | 157.8 | -82.9 | 0 | 0 | 0 | 0 | 108.7 | L258 | S256-L258 PolarHBondContact O-N 3.35Š|
| 257 | G | 30 | Very low | 38.4 | Very low | 84 Ų | 84 | 123.2 Ų | 123.2 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | | | trans | -78.1 | 83.7 | -169 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 258 | L | 36.6 | Very low | 39.3 | Very low | 154 Ų | 154 | 130.2 Ų | 130.2 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | | | trans | -118.1 | 98.7 | 165.9 | -150 | 76.7 | 0 | 0 | 0 | 109 | S256 T260 | S256-L258 PolarHBondContact O-N 3.35Å; L258-T260 PolarHBondContact O-N 3.09Å |
| 259 | S | 35.6 | Very low | 40.5 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | | | trans | -76.4 | 66.4 | -174 | -63.7 | 0 | 0 | 0 | 0 | 113.1 | A261 | S259-A261 PolarHBondContact O-N 3.38Å; S259-A261 VanDerWaalsContact O-N 3.13Å |
| 260 | T | 31.5 | Very low | 41.6 | Very low | 104 Ų | 104 | 126.8 Ų | 126.8 | 64% | 0.638 | 74% | 0.74 | S | S | * | * | | | trans | -62.5 | 106.2 | 162.3 | -63.4 | 0 | 0 | 0 | 0 | 109.2 | L258 L262 | L258-T260 PolarHBondContact O-N 3.09Å; T260-L262 HydrophobicContact CG2-CB 4.18Å; T260-L262 HydrophobicContact CG2-CD1 3.78Å; T260-L262 HydrophobicContact CG2-CG 4.42Å |
| 261 | A | 39 | Very low | 42.8 | Very low | 85 Ų | 85 | 123.5 Ų | 123.5 | 70% | 0.702 | 74% | 0.738 | S | S | * | * | | | trans | -144.8 | 111.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | S259 | S259-A261 PolarHBondContact O-N 3.38Å; S259-A261 VanDerWaalsContact O-N 3.13Å |
| 262 | L | 34.1 | Very low | 43.7 | Very low | 168 Ų | 168 | 120.8 Ų | 120.8 | 88% | 0.88 | 72% | 0.719 | S | S | * | * | | | cis | 54.2 | 15 | 4.9 | -70.6 | -178.8 | 0 | 0 | 0 | 116.2 | T260 | T260-L262 HydrophobicContact CG2-CB 4.18Å; T260-L262 HydrophobicContact CG2-CD1 3.78Å; T260-L262 HydrophobicContact CG2-CG 4.42Å |
| 263 | G | 30.9 | Very low | 45.3 | Very low | 56 Ų | 56 | 114 Ų | 114 | 58% | 0.577 | 70% | 0.702 | S | S | * | * | | | trans | -83.1 | 132.3 | 149 | 0 | 0 | 0 | 0 | 0 | 107.3 | A265 | G263-A265 PolarHBondContact O-N 2.96Š|
| 264 | S | 35.2 | Very low | 46.2 | Very low | 105 Ų | 105 | 117.1 Ų | 117.1 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | | | trans | -49.7 | 135.8 | 174 | -56.4 | 0 | 0 | 0 | 0 | 110.1 | Y266 | S264-Y266 PolarHBondContact O-N 3.34Š|
| 265 | A | 43.3 | Very low | 47.5 | Very low | 91 Ų | 91 | 111 Ų | 111 | 75% | 0.752 | 66% | 0.663 | S | S | * | * | | | trans | -71 | 70.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | G263 | G263-A265 PolarHBondContact O-N 2.96Š|
| 266 | Y | 43.4 | Very low | 49.1 | Very low | 205 Ų | 205 | 109.4 Ų | 109.4 | 80% | 0.804 | 66% | 0.656 | S | S | * | * | | | trans | -52.1 | 123.8 | 165.2 | -95.6 | -87.9 | 0 | 0 | 0 | 107.5 | S264 R268 | S264-Y266 PolarHBondContact O-N 3.34Å; Y266-R268 PolarHBondContact O-N 3.11Å |
| 267 | P | 55.5 | Low | 50.3 | Low | 51 Ų | 51 | 108.8 Ų | 108.8 | 33% | 0.331 | 65% | 0.647 | S | S | . | * | | | trans | -60.3 | 136.6 | -179 | 26.3 | -33.9 | 0 | 0 | 0 | 107.6 | S269 L282 | P267-S269 PolarHBondContact O-N 3.32Å; P267-L282 HydrophobicContact CG-CD1 3.84Å |
| 268 | R | 54 | Low | 51.8 | Low | 237 Ų | 237 | 105.7 Ų | 105.7 | 89% | 0.894 | 61% | 0.612 | S | S | * | * | | | trans | -65.7 | 91.8 | 172 | -73.2 | -70.1 | -175.1 | 161.4 | -0 | 107.6 | Y266 C270 | Y266-R268 PolarHBondContact O-N 3.11Å; R268-C270 PolarHBondContact O-N 3.02Å |
| 269 | S | 61.9 | Low | 53 | Low | 98 Ų | 98 | 102.6 Ų | 102.6 | 69% | 0.685 | 60% | 0.601 | S | S | * | * | | | trans | -53.7 | 138.3 | 170.5 | 43.4 | 0 | 0 | 0 | 0 | 108.8 | P267 A271 | P267-S269 PolarHBondContact O-N 3.32Å; S269-A271 PolarHBondContact O-N 2.97Å; S269-A271 VanDerWaalsContact O-N 3.08Å |
| 270 | C | 63.4 | Low | 53.9 | Low | 34 Ų | 34 | 99.6 Ų | 99.6 | 23% | 0.23 | 58% | 0.584 | C | S | . | * | | | trans | -57.6 | 120.6 | -178.9 | -124.1 | 0 | 0 | 0 | 0 | 109.1 | R268 D272 C275 C305 | R268-C270 PolarHBondContact O-N 3.02Å; C270-D272 PolarHBondContact O-N 3.44Å; C270-D272 VanDerWaalsContact O-N 3.15Å; C270-C275 HydrophobicContact CB-CB 3.64Å; C270-C275 VanDerWaalsContact SG-CB 3.58Å; C270-C305 WeakPolarHBondContact CB-SG 3.24Å; C270-C305 WeakPolarHBondContact SG-CB 3.49Å; C270-C305 CovalentContact SG-SG 2.04Å; C270-C305 PolarHBondContact SG-SG 2.9Å |
| 271 | A | 64.5 | Low | 55 | Low | 107 Ų | 107 | 98.8 Ų | 98.8 | 88% | 0.884 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -70.4 | -4.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S269 | S269-A271 PolarHBondContact O-N 2.97Å; S269-A271 VanDerWaalsContact O-N 3.08Å |
| 272 | D | 63.2 | Low | 55.4 | Low | 39 Ų | 39 | 100 Ų | 100 | 21% | 0.209 | 57% | 0.573 | C | S | . | * | S | Bend | trans | -85.2 | 125.3 | 179.4 | -173.3 | -52.7 | 0 | 0 | 0 | 111 | C270 F274 C275 | C270-D272 PolarHBondContact O-N 3.44Å; C270-D272 VanDerWaalsContact O-N 3.15Å; D272-F274 PolarHBondContact O-N 3.29Å; D272-F274 WeakPolarHBondContact OD1-CA 3.36Å; D272-F274 WeakPolarHBondContact OD1-CB 3.44Å; D272-F274 WeakPolarHBondContact OD1-CD2 3.23Å; D272-F274 PolarHBondContact OD1-N 3.06Å; D272-C275 HydrophobicContact CB-CB 4.02Å; D272-C275 VanDerWaalsContact CG-SG 3.58Å; D272-C275 PolarHBondContact O-N 2.6Å; D272-C275 VanDerWaalsContact O-N 3.14Å |
| 273 | P | 69.7 | Low | 56 | Low | 82 Ų | 82 | 96.6 Ų | 96.6 | 53% | 0.532 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.2 | -19 | -176.2 | 28 | -35.5 | 0 | 0 | 0 | 114.4 | K276 | P273-K276 WeakPolarHBondContact O-CD 3.42Å; P273-K276 VanDerWaalsContact O-CE 3.25Å; P273-K276 WeakPolarHBondContact O-CE 3.31Å |
| 274 | F | 65.6 | Low | 56.5 | Low | 174 Ų | 174 | 98.1 Ų | 98.1 | 76% | 0.763 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -20.1 | 177 | -57.5 | -78.4 | 0 | 0 | 0 | 112.5 | D272 K276 | D272-F274 PolarHBondContact O-N 3.29Å; D272-F274 WeakPolarHBondContact OD1-CA 3.36Å; D272-F274 WeakPolarHBondContact OD1-CB 3.44Å; D272-F274 WeakPolarHBondContact OD1-CD2 3.23Å; D272-F274 PolarHBondContact OD1-N 3.06Å; F274-K276 VanDerWaalsContact C-N 3.31Å; F274-K276 PolarHBondContact O-N 3.13Å |
| 275 | C | 68.1 | Low | 56.5 | Low | 4 Ų | 4 | 101.5 Ų | 101.5 | 3% | 0.027 | 58% | 0.577 | C | S | . | * | | | trans | -90.5 | 18.5 | -172.8 | -60.3 | 0 | 0 | 0 | 0 | 115.3 | C270 D272 T277 C278 C302 | C270-C275 HydrophobicContact CB-CB 3.64Å; C270-C275 VanDerWaalsContact SG-CB 3.58Å; D272-C275 HydrophobicContact CB-CB 4.02Å; D272-C275 VanDerWaalsContact CG-SG 3.58Å; D272-C275 PolarHBondContact O-N 2.6Å; D272-C275 VanDerWaalsContact O-N 3.14Å; C275-T277 PolarHBondContact O-N 3.21Å; C275-C278 WeakPolarHBondContact O-CB 3.35Å; C275-C278 PolarHBondContact O-N 3.26Å; C275-C302 WeakPolarHBondContact CA-SG 3.43Å; C275-C302 HydrophobicContact CB-CB 4.08Å; C275-C302 WeakPolarHBondContact CB-SG 3.32Å; C275-C302 WeakPolarHBondContact SG-CA 3.39Å; C275-C302 WeakPolarHBondContact SG-CB 3.29Å; C275-C302 CovalentContact SG-SG 2.04Å; C275-C302 PolarHBondContact SG-SG 3.27Å |
| 276 | K | 66.6 | Low | 56.1 | Low | 177 Ų | 177 | 100.7 Ų | 100.7 | 77% | 0.77 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -11.1 | 177 | -64.9 | 172.7 | -176.3 | 167.6 | 0 | 114.3 | P273 F274 | P273-K276 WeakPolarHBondContact O-CD 3.42Å; P273-K276 VanDerWaalsContact O-CE 3.25Å; P273-K276 WeakPolarHBondContact O-CE 3.31Å; F274-K276 VanDerWaalsContact C-N 3.31Å; F274-K276 PolarHBondContact O-N 3.13Å |
| 277 | T | 65.2 | Low | 55.7 | Low | 105 Ų | 105 | 97.9 Ų | 97.9 | 64% | 0.644 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -3.8 | 176.9 | 51.1 | 0 | 0 | 0 | 0 | 113.9 | C275 | C275-T277 PolarHBondContact O-N 3.21Š|
| 278 | C | 61.1 | Low | 54.5 | Low | 19 Ų | 19 | 99.4 Ų | 99.4 | 13% | 0.128 | 61% | 0.607 | C | S | . | * | S | Bend | trans | -68.2 | 125.3 | 169.8 | -74.6 | 0 | 0 | 0 | 0 | 109.9 | C275 A280 C298 | C275-C278 WeakPolarHBondContact O-CB 3.35Å; C275-C278 PolarHBondContact O-N 3.26Å; C278-A280 PolarHBondContact O-N 3.33Å; C278-C298 HydrophobicContact CB-CB 4.48Å; C278-C298 WeakPolarHBondContact CB-SG 3.28Å; C278-C298 WeakPolarHBondContact SG-CB 3.42Å; C278-C298 CovalentContact SG-SG 2.04Å; C278-C298 PolarHBondContact SG-SG 3.39Å |
| 279 | P | 62.1 | Low | 53.3 | Low | 89 Ų | 89 | 91.8 Ų | 91.8 | 58% | 0.578 | 60% | 0.601 | S | S | * | * | | | trans | -71.4 | 98.9 | 175.6 | 29 | -33.3 | 0 | 0 | 0 | 110 | T281 | P279-T281 PolarHBondContact O-N 3.12Å; P279-T281 PolarHBondContact O-OG1 3.39Å |
| 280 | A | 54.8 | Low | 52.1 | Low | 61 Ų | 61 | 91.9 Ų | 91.9 | 50% | 0.504 | 61% | 0.609 | S | S | . | * | | | trans | -56.4 | 113.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | C278 L282 | C278-A280 PolarHBondContact O-N 3.33Å; A280-L282 VanDerWaalsContact C-N 3.27Å; A280-L282 PolarHBondContact O-N 3.01Å |
| 281 | T | 53.9 | Low | 50.7 | Low | 87 Ų | 87 | 95.5 Ų | 95.5 | 53% | 0.534 | 64% | 0.641 | S | S | . | * | | | trans | -82.4 | 75.8 | -167.2 | -33.2 | 0 | 0 | 0 | 0 | 110.2 | P279 A283 H310 | P279-T281 PolarHBondContact O-N 3.12Å; P279-T281 PolarHBondContact O-OG1 3.39Å; T281-A283 PolarHBondContact O-N 3.47Å; T281-H310 WeakPolarHBondContact CB-NE2 3.45Å; T281-H310 PolarHBondContact OG1-CD2 3.41Å |
| 282 | L | 47.2 | Very low | 49.6 | Very low | 111 Ų | 111 | 94.8 Ų | 94.8 | 58% | 0.581 | 64% | 0.635 | S | S | * | * | | | trans | -69.1 | 78.6 | 177.8 | -173.3 | 76.7 | 0 | 0 | 0 | 110.6 | P267 A280 T284 | P267-L282 HydrophobicContact CG-CD1 3.84Å; A280-L282 VanDerWaalsContact C-N 3.27Å; A280-L282 PolarHBondContact O-N 3.01Å; L282-T284 PolarHBondContact O-N 3.49Å |
| 283 | A | 46.3 | Very low | 48.6 | Very low | 97 Ų | 97 | 98.8 Ų | 98.8 | 80% | 0.802 | 66% | 0.663 | S | S | * | * | | | trans | -73.8 | 69.9 | 172 | 0 | 0 | 0 | 0 | 0 | 110.4 | T281 | T281-A283 PolarHBondContact O-N 3.47Š|
| 284 | T | 42.2 | Very low | 47.6 | Very low | 88 Ų | 88 | 99.5 Ų | 99.5 | 54% | 0.54 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -140.9 | 95.7 | 178.9 | -51.2 | 0 | 0 | 0 | 0 | 110.8 | L282 G286 | L282-T284 PolarHBondContact O-N 3.49Å; T284-G286 PolarHBondContact O-N 2.91Å |
| 285 | L | 34.4 | Very low | 47 | Very low | 176 Ų | 176 | 94.9 Ų | 94.9 | 92% | 0.921 | 68% | 0.677 | S | S | * | * | | | trans | 30.6 | 76.2 | 161.1 | -64.7 | 90.1 | 0 | 0 | 0 | 116.8 | | |
| 286 | G | 35.5 | Very low | 46.4 | Very low | 74 Ų | 74 | 105.2 Ų | 105.2 | 76% | 0.763 | 72% | 0.715 | S | S | * | * | | | trans | -104.8 | 125.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | T284 G288 | T284-G286 PolarHBondContact O-N 2.91Å; G286-G288 PolarHBondContact O-N 2.93Å |
| 287 | T | 33.8 | Very low | 46.3 | Very low | 146 Ų | 146 | 102.8 Ų | 102.8 | 90% | 0.896 | 72% | 0.718 | S | S | * | * | | | trans | -78.9 | 110.2 | -172.6 | 49.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 288 | G | 30.3 | Very low | 46.2 | Very low | 83 Ų | 83 | 100 Ų | 100 | 86% | 0.856 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 83.4 | 121 | 155.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | G286 | G286-G288 PolarHBondContact O-N 2.93Š|
| 289 | G | 29.7 | Very low | 46.4 | Very low | 76 Ų | 76 | 102.2 Ų | 102.2 | 78% | 0.784 | 72% | 0.716 | S | S | * | * | | | trans | 131.7 | 124.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 290 | A | 35.7 | Very low | 46.4 | Very low | 101 Ų | 101 | 108.8 Ų | 108.8 | 84% | 0.835 | 74% | 0.736 | S | S | * | * | | | trans | 42.6 | 99.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 118 | A292 | A290-A292 PolarHBondContact O-N 2.68Å; A290-A292 VanDerWaalsContact O-N 3.13Å |
| 291 | A | 35.7 | Very low | 46.8 | Very low | 109 Ų | 109 | 108.5 Ų | 108.5 | 90% | 0.901 | 74% | 0.739 | S | S | * | * | | | trans | -64.2 | 111.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 292 | A | 40.5 | Very low | 47.3 | Very low | 92 Ų | 92 | 105 Ų | 105 | 76% | 0.76 | 72% | 0.718 | S | S | * | * | | | trans | -81.3 | 138.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | A290 | A290-A292 PolarHBondContact O-N 2.68Å; A290-A292 VanDerWaalsContact O-N 3.13Å |
| 293 | P | 41.7 | Very low | 48.2 | Very low | 123 Ų | 123 | 105 Ų | 105 | 80% | 0.799 | 72% | 0.723 | S | S | * | * | | | trans | -72.5 | 160.3 | -179.9 | 30.8 | -35.8 | 0 | 0 | 0 | 112.7 | | |
| 294 | A | 49.6 | Very low | 48.8 | Very low | 98 Ų | 98 | 106.6 Ų | 106.6 | 81% | 0.81 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -6.5 | 122.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | R296 | A294-R296 PolarHBondContact O-N 3.26Š|
| 295 | G | 53 | Low | 49.6 | Very low | 76 Ų | 76 | 104.3 Ų | 104.3 | 78% | 0.784 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 130.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 296 | R | 55.4 | Low | 50.6 | Low | 221 Ų | 221 | 100.4 Ų | 100.4 | 83% | 0.834 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 136.7 | 175.4 | -59.6 | 175.4 | 72.3 | -152.2 | 3.9 | 109.5 | A294 | A294-R296 PolarHBondContact O-N 3.26Š|
| 297 | P | 63.7 | Low | 51.4 | Low | 126 Ų | 126 | 101.6 Ų | 101.6 | 82% | 0.818 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 143.7 | 177.1 | 26.4 | -34.3 | 0 | 0 | 0 | 111 | | |
| 298 | C | 63.3 | Low | 52.2 | Low | 46 Ų | 46 | 98.5 Ų | 98.5 | 31% | 0.311 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -58.8 | 153.9 | 171.2 | -73.3 | 0 | 0 | 0 | 0 | 111.3 | C278 C302 | C278-C298 HydrophobicContact CB-CB 4.48Å; C278-C298 WeakPolarHBondContact CB-SG 3.28Å; C278-C298 WeakPolarHBondContact SG-CB 3.42Å; C278-C298 CovalentContact SG-SG 2.04Å; C278-C298 PolarHBondContact SG-SG 3.39Å; C298-C302 HydrophobicContact CB-CB 3.72Å |
| 299 | P | 66.7 | Low | 53 | Low | 66 Ų | 66 | 96.7 Ų | 96.7 | 43% | 0.429 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 154.2 | 178.3 | 25.9 | -35.2 | 0 | 0 | 0 | 112.6 | G301 C302 | P299-G301 PolarHBondContact O-N 3.33Å; P299-C302 PolarHBondContact O-N 3.05Å |
| 300 | F | 60.6 | Low | 53.8 | Low | 227 Ų | 227 | 98.3 Ų | 98.3 | 100% | 0.996 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.9 | 114 | 174.9 | -79.1 | -89.6 | 0 | 0 | 0 | 110.4 | | |
| 301 | G | 62.9 | Low | 54.2 | Low | 56 Ų | 56 | 98 Ų | 98 | 58% | 0.577 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 137.7 | -37.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P299 T303 | P299-G301 PolarHBondContact O-N 3.33Å; G301-T303 PolarHBondContact O-N 3.19Å |
| 302 | C | 64.5 | Low | 54.6 | Low | 13 Ų | 13 | 96.2 Ų | 96.2 | 9% | 0.088 | 63% | 0.626 | C | S | . | * | | | trans | -83.4 | 65.7 | -170.2 | -68.8 | 0 | 0 | 0 | 0 | 115.5 | C275 C298 P299 | C275-C302 WeakPolarHBondContact CA-SG 3.43Å; C275-C302 HydrophobicContact CB-CB 4.08Å; C275-C302 WeakPolarHBondContact CB-SG 3.32Å; C275-C302 WeakPolarHBondContact SG-CA 3.39Å; C275-C302 WeakPolarHBondContact SG-CB 3.29Å; C275-C302 CovalentContact SG-SG 2.04Å; C275-C302 PolarHBondContact SG-SG 3.27Å; C298-C302 HydrophobicContact CB-CB 3.72Å; P299-C302 PolarHBondContact O-N 3.05Å |
| 303 | T | 67 | Low | 54.8 | Low | 112 Ų | 112 | 94.2 Ų | 94.2 | 69% | 0.687 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -69.2 | -31.3 | 178.1 | 57.4 | 0 | 0 | 0 | 0 | 113.6 | G301 C305 | G301-T303 PolarHBondContact O-N 3.19Å; T303-C305 VanDerWaalsContact C-N 3.35Å; T303-C305 PolarHBondContact O-N 3.47Å |
| 304 | Q | 58 | Low | 54.8 | Low | 130 Ų | 130 | 91.6 Ų | 91.6 | 61% | 0.607 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -68.7 | -26.1 | -179.2 | -68.5 | -78 | -6.4 | 0 | 0 | 114.2 | | |
| 305 | C | 60.4 | Low | 54.4 | Low | 40 Ų | 40 | 90.1 Ų | 90.1 | 27% | 0.27 | 59% | 0.586 | S | S | . | * | G | 310 helix | trans | -88.8 | -11.9 | -174.6 | -100.6 | 0 | 0 | 0 | 0 | 114.5 | C270 T303 | C270-C305 WeakPolarHBondContact CB-SG 3.24Å; C270-C305 WeakPolarHBondContact SG-CB 3.49Å; C270-C305 CovalentContact SG-SG 2.04Å; C270-C305 PolarHBondContact SG-SG 2.9Å; T303-C305 VanDerWaalsContact C-N 3.35Å; T303-C305 PolarHBondContact O-N 3.47Å |
| 306 | A | 55.5 | Low | 53.9 | Low | 93 Ų | 93 | 89.4 Ų | 89.4 | 77% | 0.769 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -91 | -16.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 307 | S | 52.6 | Low | 53.4 | Low | 99 Ų | 99 | 82 Ų | 82 | 69% | 0.692 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -106.2 | -13.3 | -167.4 | 49.5 | 0 | 0 | 0 | 0 | 114.8 | G309 | S307-G309 PolarHBondContact O-N 2.9Š|
| 308 | S | 49.2 | Very low | 52.5 | Low | 81 Ų | 81 | 79.6 Ų | 79.6 | 57% | 0.566 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -101.4 | 68 | -169.3 | 46.1 | 0 | 0 | 0 | 0 | 114 | | |
| 309 | G | 48.4 | Very low | 51.4 | Low | 46 Ų | 46 | 79.6 Ų | 79.6 | 47% | 0.474 | 55% | 0.553 | S | S | . | * | S | Bend | trans | 107.1 | -2.1 | 151 | 0 | 0 | 0 | 0 | 0 | 119.3 | S307 A313 | S307-G309 PolarHBondContact O-N 2.9Å; G309-A313 WeakPolarHBondContact O-CB 3.32Å; G309-A313 PolarHBondContact O-N 3.05Å |
| 310 | H | 46.4 | Very low | 50.3 | Low | 110 Ų | 110 | 79.4 Ų | 79.4 | 51% | 0.509 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -95.4 | -24.6 | -178.5 | -67.6 | -14.9 | 0 | 0 | 0 | 115.5 | T281 A312 A313 A314 | T281-H310 WeakPolarHBondContact CB-NE2 3.45Å; T281-H310 PolarHBondContact OG1-CD2 3.41Å; H310-A312 VanDerWaalsContact C-N 3.31Å; H310-A312 PolarHBondContact O-N 3.35Å; H310-A313 PolarHBondContact O-N 3.37Å; H310-A314 PolarHBondContact O-N 3.2Å; H310-A314 VanDerWaalsContact O-N 3.12Å |
| 311 | A | 44 | Very low | 49.5 | Very low | 95 Ų | 95 | 72.8 Ų | 72.8 | 79% | 0.785 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.6 | -37.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 312 | A | 43.7 | Very low | 48.6 | Very low | 71 Ų | 71 | 73.1 Ų | 73.1 | 59% | 0.587 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -75.6 | -41.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | H310 A314 A315 A316 | H310-A312 VanDerWaalsContact C-N 3.31Å; H310-A312 PolarHBondContact O-N 3.35Å; A312-A314 PolarHBondContact O-N 3.43Å; A312-A315 PolarHBondContact O-N 3.03Å; A312-A316 PolarHBondContact O-N 2.89Å |
| 313 | A | 44.2 | Very low | 47.4 | Very low | 50 Ų | 50 | 75.2 Ų | 75.2 | 41% | 0.413 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.3 | -38.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G309 H310 A315 A316 A317 | G309-A313 WeakPolarHBondContact O-CB 3.32Å; G309-A313 PolarHBondContact O-N 3.05Å; H310-A313 PolarHBondContact O-N 3.37Å; A313-A315 PolarHBondContact O-N 3.42Å; A313-A316 PolarHBondContact O-N 3.38Å; A313-A317 WeakPolarHBondContact O-CB 3.3Å; A313-A317 PolarHBondContact O-N 3.23Å |
| 314 | A | 42.6 | Very low | 46.2 | Very low | 67 Ų | 67 | 78 Ų | 78 | 55% | 0.554 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.8 | -39.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | H310 A312 A318 | H310-A314 PolarHBondContact O-N 3.2Å; H310-A314 VanDerWaalsContact O-N 3.12Å; A312-A314 PolarHBondContact O-N 3.43Å; A314-A318 PolarHBondContact O-N 2.79Å |
| 315 | A | 40.3 | Very low | 45.3 | Very low | 67 Ų | 67 | 79.6 Ų | 79.6 | 55% | 0.554 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68 | -39.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | A312 A313 A319 | A312-A315 PolarHBondContact O-N 3.03Å; A313-A315 PolarHBondContact O-N 3.42Å; A315-A319 PolarHBondContact O-N 3.4Å |
| 316 | A | 43.3 | Very low | 44.4 | Very low | 62 Ų | 62 | 83.5 Ų | 83.5 | 51% | 0.512 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.2 | -41 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A312 A313 A318 A319 A320 | A312-A316 PolarHBondContact O-N 2.89Å; A313-A316 PolarHBondContact O-N 3.38Å; A316-A318 VanDerWaalsContact C-N 3.34Å; A316-A318 PolarHBondContact O-N 3.14Å; A316-A319 PolarHBondContact O-N 3.3Å; A316-A320 PolarHBondContact O-N 3.47Å |
| 317 | A | 44.5 | Very low | 43.7 | Very low | 64 Ų | 64 | 84.6 Ų | 84.6 | 53% | 0.529 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.7 | -37.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A313 A319 A320 A321 | A313-A317 WeakPolarHBondContact O-CB 3.3Å; A313-A317 PolarHBondContact O-N 3.23Å; A317-A319 VanDerWaalsContact C-N 3.3Å; A317-A319 PolarHBondContact O-N 2.82Å; A317-A320 PolarHBondContact O-N 3.33Å; A317-A321 PolarHBondContact O-N 2.8Å |
| 318 | A | 43.6 | Very low | 43.1 | Very low | 76 Ų | 76 | 84.8 Ų | 84.8 | 63% | 0.628 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.3 | -30.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | A314 A316 | A314-A318 PolarHBondContact O-N 2.79Å; A316-A318 VanDerWaalsContact C-N 3.34Å; A316-A318 PolarHBondContact O-N 3.14Å |
| 319 | A | 41.7 | Very low | 42.6 | Very low | 46 Ų | 46 | 87.7 Ų | 87.7 | 38% | 0.38 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -78.2 | -35.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A315 A316 A317 A321 A322 F338 | A315-A319 PolarHBondContact O-N 3.4Å; A316-A319 PolarHBondContact O-N 3.3Å; A317-A319 VanDerWaalsContact C-N 3.3Å; A317-A319 PolarHBondContact O-N 2.82Å; A319-A321 VanDerWaalsContact C-N 3.35Å; A319-A321 PolarHBondContact O-N 3.4Å; A319-A322 PolarHBondContact O-N 3.1Å; A319-F338 HydrophobicContact CB-CZ 4.5Å; A319-F338 WeakPolarHBondContact O-CZ 3.41Å |
| 320 | A | 42.8 | Very low | 42.1 | Very low | 63 Ų | 63 | 96.6 Ų | 96.6 | 52% | 0.521 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -65.8 | -34.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A316 A317 A322 A323 | A316-A320 PolarHBondContact O-N 3.47Å; A317-A320 PolarHBondContact O-N 3.33Å; A320-A322 PolarHBondContact O-N 2.89Å; A320-A322 VanDerWaalsContact O-N 3.16Å; A320-A323 PolarHBondContact O-N 3.33Å |
| 321 | A | 43.2 | Very low | 41.7 | Very low | 88 Ų | 88 | 98.8 Ų | 98.8 | 73% | 0.727 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -7.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | A317 A319 | A317-A321 PolarHBondContact O-N 2.8Å; A319-A321 VanDerWaalsContact C-N 3.35Å; A319-A321 PolarHBondContact O-N 3.4Å |
| 322 | A | 44.3 | Very low | 41.6 | Very low | 63 Ų | 63 | 99.4 Ų | 99.4 | 52% | 0.521 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.3 | 4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | A319 A320 | A319-A322 PolarHBondContact O-N 3.1Å; A320-A322 PolarHBondContact O-N 2.89Å; A320-A322 VanDerWaalsContact O-N 3.16Å |
| 323 | A | 40.5 | Very low | 41.7 | Very low | 56 Ų | 56 | 100.8 Ų | 100.8 | 46% | 0.463 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -98.8 | -10.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | A320 F338 | A320-A323 PolarHBondContact O-N 3.33Å; A323-F338 HydrophobicContact CB-CD2 4.22Å; A323-F338 HydrophobicContact CB-CE2 3.9Å |
| 324 | E | 40.9 | Very low | 41.6 | Very low | 171 Ų | 171 | 109.9 Ų | 109.9 | 80% | 0.799 | 67% | 0.674 | S | S | * | * | | | trans | -104 | 48.3 | -164.8 | -68.6 | -75.1 | 118.4 | 0 | 0 | 113.7 | | |
| 325 | L | 39.5 | Very low | 41.2 | Very low | 164 Ų | 164 | 110.4 Ų | 110.4 | 86% | 0.859 | 69% | 0.686 | S | S | * | * | | | trans | -140.3 | 131.1 | 167.5 | -80.2 | -179 | 0 | 0 | 0 | 112.6 | | |
| 326 | P | 41.3 | Very low | 41.5 | Very low | 121 Ų | 121 | 111.7 Ų | 111.7 | 79% | 0.786 | 70% | 0.697 | S | S | * | * | | | trans | -79.7 | 151.5 | 179.8 | 32.6 | -35.3 | 0 | 0 | 0 | 113.3 | | |
| 327 | S | 40 | Very low | 42.1 | Very low | 116 Ų | 116 | 112.4 Ų | 112.4 | 81% | 0.811 | 70% | 0.696 | S | S | * | * | | | trans | -43.7 | 130.8 | 179.2 | -46.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 328 | S | 39.8 | Very low | 41.7 | Very low | 104 Ų | 104 | 114.6 Ų | 114.6 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | | | | -178.7 | 120.8 | 119.4 | -82.1 | 0 | 0 | 0 | 0 | 115.2 | | |
| 329 | L | 39.8 | Very low | 41.5 | Very low | 142 Ų | 142 | 117.8 Ų | 117.8 | 74% | 0.743 | 70% | 0.699 | S | S | * | * | | | trans | 70.2 | 113.1 | 137.7 | -60.1 | 174.1 | 0 | 0 | 0 | 121.4 | | |
| 330 | W | 38.2 | Very low | 41.3 | Very low | 232 Ų | 232 | 122.1 Ų | 122.1 | 88% | 0.879 | 72% | 0.722 | S | S | * | * | | | trans | 87.9 | 111.2 | 151.9 | -59 | 111.4 | 0 | 0 | 0 | 122.1 | | |
| 331 | L | 38.2 | Very low | 40.9 | Very low | 156 Ų | 156 | 123.5 Ų | 123.5 | 82% | 0.817 | 73% | 0.733 | S | S | * | * | | | trans | 86.2 | 95.2 | 130.2 | -152.1 | 76.5 | 0 | 0 | 0 | 121.4 | | |
| 332 | S | 41.5 | Very low | 40.7 | Very low | 109 Ų | 109 | 124.5 Ų | 124.5 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | | | trans | 72.9 | 161.1 | 149.2 | -146.2 | 0 | 0 | 0 | 0 | 117.9 | | |
| 333 | P | 45.8 | Very low | 40.3 | Very low | 99 Ų | 99 | 124.8 Ų | 124.8 | 64% | 0.643 | 75% | 0.751 | S | S | * | * | S | Bend | | -117.4 | -178.4 | -61.1 | 33.9 | -20.8 | 0 | 0 | 0 | 111.5 | | |
| 334 | Y | 41.9 | Very low | 40.1 | Very low | 242 Ų | 242 | 130.9 Ų | 130.9 | 95% | 0.949 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 63.2 | 77.8 | -175.5 | -59.9 | -92.3 | 0 | 0 | 0 | 114.7 | | |
| 335 | G | 34.7 | Very low | 40.1 | Very low | 77 Ų | 77 | 131.8 Ų | 131.8 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | | | trans | -168.7 | 114.8 | 172 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 336 | A | 45.5 | Very low | 40.2 | Very low | 95 Ų | 95 | 131.8 Ų | 131.8 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | trans | -88.7 | -175.5 | 151.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 337 | P | 56 | Low | 39.9 | Very low | 76 Ų | 76 | 130.5 Ų | 130.5 | 49% | 0.494 | 78% | 0.778 | S | S | . | * | | | cis | -143.5 | -150.1 | 11.8 | 31 | -3.2 | 0 | 0 | 0 | 113.6 | | |
| 338 | F | 37.1 | Very low | 40 | Very low | 111 Ų | 111 | 131.2 Ų | 131.2 | 49% | 0.487 | 78% | 0.777 | S | S | . | * | | | trans | 73 | 142.3 | 162.6 | -64.3 | -47.7 | 0 | 0 | 0 | 117.4 | A319 A323 | A319-F338 HydrophobicContact CB-CZ 4.5Å; A319-F338 WeakPolarHBondContact O-CZ 3.41Å; A323-F338 HydrophobicContact CB-CD2 4.22Å; A323-F338 HydrophobicContact CB-CE2 3.9Å |
| 339 | L | 39.2 | Very low | 40.1 | Very low | 142 Ų | 142 | 130.8 Ų | 130.8 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | | | cis | -141.4 | 157.8 | -1.9 | -108.5 | 155.4 | 0 | 0 | 0 | 108.5 | | |
| 340 | T | 37.3 | Very low | 40.2 | Very low | 138 Ų | 138 | 130.7 Ų | 130.7 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | | | | -172.5 | 147.3 | 88.9 | -63.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 341 | A | 33.7 | Very low | 40.2 | Very low | 91 Ų | 91 | 123.9 Ų | 123.9 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | | | trans | -115.9 | 139.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 342 | A | 40.6 | Very low | 40.2 | Very low | 109 Ų | 109 | 123.1 Ų | 123.1 | 90% | 0.901 | 77% | 0.769 | S | S | * | * | | | trans | -165.2 | 152.5 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 343 | G | 34.6 | Very low | 40 | Very low | 70 Ų | 70 | 123 Ų | 123 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | | | trans | 105.7 | 76.8 | 158.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 344 | L | 37.7 | Very low | 39.5 | Very low | 184 Ų | 184 | 123.1 Ų | 123.1 | 96% | 0.963 | 79% | 0.785 | S | S | * | * | | | trans | 33.8 | 109.1 | 134.7 | -64.2 | 161.8 | 0 | 0 | 0 | 118.8 | | |
| 345 | H | 40.5 | Very low | 39.3 | Very low | 190 Ų | 190 | 115.9 Ų | 115.9 | 88% | 0.88 | 78% | 0.775 | S | S | * | * | | | trans | -108.1 | 142.1 | 155.9 | 59.1 | -93.2 | 0 | 0 | 0 | 110.5 | | |
| 346 | N | 41.4 | Very low | 39.3 | Very low | 164 Ų | 164 | 121.2 Ų | 121.2 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | | | trans | -125.6 | 148.5 | 169.1 | -152.8 | -15 | 0 | 0 | 0 | 108.5 | | |
| 347 | A | 34.3 | Very low | 38.9 | Very low | 93 Ų | 93 | 122.3 Ų | 122.3 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | trans | -85.3 | 128.4 | -153.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 348 | V | 42.1 | Very low | 37.9 | Very low | 131 Ų | 131 | 121.5 Ų | 121.5 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | | | trans | -143.3 | 137.4 | 165.8 | -176.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 349 | P | 42.4 | Very low | 38.2 | Very low | 95 Ų | 95 | 123.7 Ų | 123.7 | 62% | 0.617 | 81% | 0.811 | S | S | * | * | | | trans | -73.2 | 160.8 | -178 | 29.5 | -36.7 | 0 | 0 | 0 | 114.1 | S351 | P349-S351 PolarHBondContact O-N 2.98Š|
| 350 | P | 41.2 | Very low | 38.5 | Very low | 140 Ų | 140 | 125.9 Ų | 125.9 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -79.6 | 79.4 | -176 | 33.4 | -36.7 | 0 | 0 | 0 | 112.8 | | |
| 351 | S | 38.7 | Very low | 38.9 | Very low | 90 Ų | 90 | 123.8 Ų | 123.8 | 63% | 0.629 | 82% | 0.816 | S | S | * | * | | | trans | -140 | 145.4 | 163.6 | 48.1 | 0 | 0 | 0 | 0 | 110.2 | P349 | P349-S351 PolarHBondContact O-N 2.98Š|
| 352 | V | 37.7 | Very low | 39.7 | Very low | 139 Ų | 139 | 126.6 Ų | 126.6 | 84% | 0.842 | 82% | 0.818 | S | S | * | * | | | trans | 65.8 | 60.9 | -174.7 | -158.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 353 | A | 37.3 | Very low | 40 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 88% | 0.884 | 81% | 0.808 | S | S | * | * | | | trans | -113.5 | 43.5 | 171 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 354 | A | 35.8 | Very low | 40.7 | Very low | 102 Ų | 102 | 128.8 Ų | 128.8 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -134.1 | 24.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 355 | A | 38 | Very low | 41.5 | Very low | 90 Ų | 90 | 127.3 Ų | 127.3 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -154.5 | 51.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 356 | Q | 34.3 | Very low | 41.8 | Very low | 188 Ų | 188 | 123.6 Ų | 123.6 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | | | trans | -142.9 | 19.9 | 173.1 | -131.2 | 171.7 | 8.1 | 0 | 0 | 116.4 | G358 | Q356-G358 PolarHBondContact O-N 2.98Š|
| 357 | A | 36 | Very low | 42 | Very low | 119 Ų | 119 | 120.3 Ų | 120.3 | 98% | 0.983 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -76.6 | 64.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 358 | G | 34.9 | Very low | 42.8 | Very low | 59 Ų | 59 | 121.9 Ų | 121.9 | 61% | 0.608 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -175.5 | 34.8 | -166.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | Q356 | Q356-G358 PolarHBondContact O-N 2.98Š|
| 359 | N | 44.9 | Very low | 43.2 | Very low | 157 Ų | 157 | 120.4 Ų | 120.4 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | | | trans | -164 | 51.8 | 160.8 | -111.1 | -23 | 0 | 0 | 0 | 114.5 | | |
| 360 | M | 44.7 | Very low | 43.8 | Very low | 188 Ų | 188 | 121.5 Ų | 121.5 | 93% | 0.926 | 78% | 0.776 | S | S | * | * | | | trans | -124.1 | 44.4 | 171.3 | -65.6 | -154.5 | -64 | 0 | 0 | 112.7 | | |
| 361 | A | 45.6 | Very low | 44.5 | Very low | 93 Ų | 93 | 119.8 Ų | 119.8 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -100.5 | 1.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 362 | N | 50 | Low | 45.3 | Very low | 151 Ų | 151 | 121.1 Ų | 121.1 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -128.3 | 31.7 | -166.8 | -143.9 | -15.8 | 0 | 0 | 0 | 114.6 | | |
| 363 | L | 48.1 | Very low | 46.1 | Very low | 130 Ų | 130 | 117.8 Ų | 117.8 | 68% | 0.681 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -116.8 | 2.1 | 167.1 | -79.7 | 169.8 | 0 | 0 | 0 | 113 | N365 | L363-N365 PolarHBondContact O-N 2.95Š|
| 364 | A | 49.7 | Very low | 46.9 | Very low | 94 Ų | 94 | 117.1 Ų | 117.1 | 78% | 0.777 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -10.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 365 | N | 53.3 | Low | 47.7 | Very low | 153 Ų | 153 | 117.9 Ų | 117.9 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 16 | -174.2 | -156 | 41.7 | 0 | 0 | 0 | 114.2 | L363 | L363-N365 PolarHBondContact O-N 2.95Š|
| 366 | V | 48.2 | Very low | 48.3 | Very low | 112 Ų | 112 | 118.1 Ų | 118.1 | 68% | 0.679 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -126.5 | 26.9 | -177.1 | -155.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 367 | L | 45.3 | Very low | 49.2 | Very low | 95 Ų | 95 | 112.2 Ų | 112.2 | 50% | 0.497 | 69% | 0.694 | S | S | . | * | | | trans | -129.3 | 45.3 | 176.2 | -75.9 | 96.3 | 0 | 0 | 0 | 112.8 | N369 | L367-N369 PolarHBondContact O-N 2.83Š|
| 368 | S | 51.1 | Low | 50 | Low | 126 Ų | 126 | 110.2 Ų | 110.2 | 88% | 0.881 | 67% | 0.669 | S | S | * | * | | | trans | -76.6 | 38.9 | 167.7 | 48.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 369 | N | 49.3 | Very low | 50.8 | Low | 100 Ų | 100 | 113.5 Ų | 113.5 | 54% | 0.535 | 67% | 0.669 | S | S | . | * | | | trans | -151.7 | 115.4 | 177.8 | -155.1 | -19 | 0 | 0 | 0 | 111 | L367 T371 | L367-N369 PolarHBondContact O-N 2.83Å; N369-T371 PolarHBondContact O-N 2.99Å; N369-T371 VanDerWaalsContact O-N 3.08Å; N369-T371 PolarHBondContact OD1-OG1 3.06Å |
| 370 | P | 55.2 | Low | 51.3 | Low | 119 Ų | 119 | 110.3 Ų | 110.3 | 77% | 0.773 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 2.4 | -166.9 | 29.6 | -36.9 | 0 | 0 | 0 | 115.6 | | |
| 371 | T | 57.2 | Low | 51.6 | Low | 104 Ų | 104 | 104.6 Ų | 104.6 | 64% | 0.638 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -9 | -170.8 | 49.8 | 0 | 0 | 0 | 0 | 115.3 | N369 | N369-T371 PolarHBondContact O-N 2.99Å; N369-T371 VanDerWaalsContact O-N 3.08Å; N369-T371 PolarHBondContact OD1-OG1 3.06Å |
| 372 | M | 53.9 | Low | 51.8 | Low | 117 Ų | 117 | 106 Ų | 106 | 58% | 0.576 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -104.8 | -14.3 | -172 | -69.9 | -73.2 | -82.4 | 0 | 0 | 115.1 | S374 L375 | M372-S374 VanDerWaalsContact C-N 3.29Å; M372-S374 PolarHBondContact O-N 2.67Å; M372-L375 PolarHBondContact O-N 2.92Å; M372-L375 HydrophobicContact SD-CD1 4.25Å |
| 373 | S | 55.4 | Low | 51.7 | Low | 69 Ų | 69 | 101.7 Ų | 101.7 | 48% | 0.483 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -60.8 | -31.5 | -169.8 | -54.8 | 0 | 0 | 0 | 0 | 114.6 | L375 L376 A377 | S373-L375 VanDerWaalsContact C-N 3.34Å; S373-L375 PolarHBondContact O-N 3.39Å; S373-L376 PolarHBondContact O-N 3.26Å; S373-A377 PolarHBondContact O-N 3.12Å; S373-A377 VanDerWaalsContact O-N 3.17Å |
| 374 | S | 54.9 | Low | 51.8 | Low | 94 Ų | 94 | 98.6 Ų | 98.6 | 66% | 0.657 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.8 | -31.4 | -179.7 | -55 | 0 | 0 | 0 | 0 | 113.3 | M372 T378 | M372-S374 VanDerWaalsContact C-N 3.29Å; M372-S374 PolarHBondContact O-N 2.67Å; S374-T378 PolarHBondContact O-N 3.49Å; S374-T378 PolarHBondContact O-OG1 3.11Å |
| 375 | L | 51 | Low | 52 | Low | 117 Ų | 117 | 97.1 Ų | 97.1 | 61% | 0.613 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -69.8 | -44.9 | 176.6 | -72.4 | 115 | 0 | 0 | 0 | 111 | M372 S373 A377 T378 Q379 | M372-L375 PolarHBondContact O-N 2.92Å; M372-L375 HydrophobicContact SD-CD1 4.25Å; S373-L375 VanDerWaalsContact C-N 3.34Å; S373-L375 PolarHBondContact O-N 3.39Å; L375-A377 PolarHBondContact O-N 2.83Å; L375-T378 PolarHBondContact O-N 3.13Å; L375-T378 VanDerWaalsContact O-N 3.14Å; L375-Q379 PolarHBondContact O-N 3.16Å |
| 376 | L | 51.7 | Low | 51.9 | Low | 95 Ų | 95 | 92.8 Ų | 92.8 | 50% | 0.497 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66 | -37.7 | -178.2 | -169.8 | 62.2 | 0 | 0 | 0 | 112.4 | S373 T378 Q379 T380 | S373-L376 PolarHBondContact O-N 3.26Å; L376-T378 VanDerWaalsContact C-N 3.31Å; L376-T378 PolarHBondContact O-N 3.02Å; L376-Q379 PolarHBondContact O-N 3.31Å; L376-T380 PolarHBondContact O-N 3.25Å |
| 377 | A | 52.7 | Low | 52.2 | Low | 64 Ų | 64 | 90.4 Ų | 90.4 | 53% | 0.529 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.2 | -27.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S373 L375 T380 | S373-A377 PolarHBondContact O-N 3.12Å; S373-A377 VanDerWaalsContact O-N 3.17Å; L375-A377 PolarHBondContact O-N 2.83Å; A377-T380 PolarHBondContact O-OG1 3.02Å |
| 378 | T | 53.3 | Low | 52.7 | Low | 77 Ų | 77 | 88.8 Ų | 88.8 | 47% | 0.472 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -80.7 | -29.2 | 175.6 | -50.9 | 0 | 0 | 0 | 0 | 111.5 | S374 L375 L376 S381 M382 | S374-T378 PolarHBondContact O-N 3.49Å; S374-T378 PolarHBondContact O-OG1 3.11Å; L375-T378 PolarHBondContact O-N 3.13Å; L375-T378 VanDerWaalsContact O-N 3.14Å; L376-T378 VanDerWaalsContact C-N 3.31Å; L376-T378 PolarHBondContact O-N 3.02Å; T378-S381 PolarHBondContact O-OG 3.05Å; T378-M382 HydrophobicContact CG2-CE 4.36Å |
| 379 | Q | 50.5 | Low | 52.9 | Low | 129 Ų | 129 | 85.8 Ų | 85.8 | 60% | 0.603 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -70.2 | -36.6 | 179.5 | -166.2 | 173.8 | 12.3 | 0 | 0 | 112.7 | L375 L376 A383 | L375-Q379 PolarHBondContact O-N 3.16Å; L376-Q379 PolarHBondContact O-N 3.31Å; Q379-A383 PolarHBondContact O-N 3.29Å; Q379-A383 VanDerWaalsContact O-N 3.17Å |
| 380 | T | 55.3 | Low | 53 | Low | 89 Ų | 89 | 84 Ų | 84 | 55% | 0.546 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71.2 | -34.6 | -179.8 | 49.3 | 0 | 0 | 0 | 0 | 113.6 | L376 A377 A383 A384 | L376-T380 PolarHBondContact O-N 3.25Å; A377-T380 PolarHBondContact O-OG1 3.02Å; T380-A383 PolarHBondContact O-N 3.3Å; T380-A384 PolarHBondContact O-N 3.2Å; T380-A384 VanDerWaalsContact O-N 3.14Å |
| 381 | S | 52.1 | Low | 53 | Low | 69 Ų | 69 | 81 Ų | 81 | 48% | 0.483 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.3 | -41.3 | 177.8 | 64.1 | 0 | 0 | 0 | 0 | 112.2 | T378 A384 A385 | T378-S381 PolarHBondContact O-OG 3.05Å; S381-A384 PolarHBondContact O-N 2.87Å; S381-A385 PolarHBondContact O-N 3.07Å; S381-A385 VanDerWaalsContact O-N 3.14Å |
| 382 | M | 49.4 | Very low | 52.8 | Low | 123 Ų | 123 | 78.9 Ų | 78.9 | 61% | 0.606 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.7 | -35.3 | 176 | -65.6 | -164.4 | -69.2 | 0 | 0 | 112.4 | T378 A385 A386 | T378-M382 HydrophobicContact CG2-CE 4.36Å; M382-A385 PolarHBondContact O-N 2.94Å; M382-A386 WeakPolarHBondContact O-CB 3.43Å; M382-A386 PolarHBondContact O-N 2.82Å |
| 383 | A | 47.9 | Very low | 52.7 | Low | 60 Ų | 60 | 76.3 Ų | 76.3 | 50% | 0.496 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q379 T380 A387 | Q379-A383 PolarHBondContact O-N 3.29Å; Q379-A383 VanDerWaalsContact O-N 3.17Å; T380-A383 PolarHBondContact O-N 3.3Å; A383-A387 VanDerWaalsContact O-CB 3.29Å; A383-A387 WeakPolarHBondContact O-CB 3.41Å; A383-A387 PolarHBondContact O-N 2.88Å |
| 384 | A | 51.2 | Low | 52.6 | Low | 65 Ų | 65 | 75.8 Ų | 75.8 | 54% | 0.537 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T380 S381 A387 A388 | T380-A384 PolarHBondContact O-N 3.2Å; T380-A384 VanDerWaalsContact O-N 3.14Å; S381-A384 PolarHBondContact O-N 2.87Å; A384-A387 PolarHBondContact O-N 3.19Å; A384-A388 WeakPolarHBondContact O-CB 3.36Å; A384-A388 PolarHBondContact O-N 3.24Å |
| 385 | A | 53.6 | Low | 52.3 | Low | 63 Ų | 63 | 74.1 Ų | 74.1 | 52% | 0.521 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.9 | -42.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S381 M382 A388 A389 | S381-A385 PolarHBondContact O-N 3.07Å; S381-A385 VanDerWaalsContact O-N 3.14Å; M382-A385 PolarHBondContact O-N 2.94Å; A385-A388 PolarHBondContact O-N 2.75Å; A385-A389 WeakPolarHBondContact O-CB 3.38Å; A385-A389 PolarHBondContact O-N 3.49Å |
| 386 | A | 51.8 | Low | 52.2 | Low | 62 Ų | 62 | 72.1 Ų | 72.1 | 51% | 0.512 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | M382 A389 A390 | M382-A386 WeakPolarHBondContact O-CB 3.43Å; M382-A386 PolarHBondContact O-N 2.82Å; A386-A389 PolarHBondContact O-N 2.89Å; A386-A390 VanDerWaalsContact O-CB 3.24Å; A386-A390 WeakPolarHBondContact O-CB 3.35Å; A386-A390 PolarHBondContact O-N 3.4Å |
| 387 | A | 52.8 | Low | 52.1 | Low | 61 Ų | 61 | 71 Ų | 71 | 50% | 0.504 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | A383 A384 A391 | A383-A387 VanDerWaalsContact O-CB 3.29Å; A383-A387 WeakPolarHBondContact O-CB 3.41Å; A383-A387 PolarHBondContact O-N 2.88Å; A384-A387 PolarHBondContact O-N 3.19Å; A387-A391 WeakPolarHBondContact O-CB 3.48Å; A387-A391 PolarHBondContact O-N 3.21Å |
| 388 | A | 55.8 | Low | 51.9 | Low | 62 Ų | 62 | 70.5 Ų | 70.5 | 51% | 0.512 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A384 A385 A391 A392 | A384-A388 WeakPolarHBondContact O-CB 3.36Å; A384-A388 PolarHBondContact O-N 3.24Å; A385-A388 PolarHBondContact O-N 2.75Å; A388-A391 PolarHBondContact O-N 3.35Å; A388-A392 WeakPolarHBondContact O-CB 3.39Å; A388-A392 PolarHBondContact O-N 3.06Å |
| 389 | A | 55.1 | Low | 51.2 | Low | 63 Ų | 63 | 69.7 Ų | 69.7 | 52% | 0.521 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.6 | -41.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A385 A386 A392 A393 | A385-A389 WeakPolarHBondContact O-CB 3.38Å; A385-A389 PolarHBondContact O-N 3.49Å; A386-A389 PolarHBondContact O-N 2.89Å; A389-A392 PolarHBondContact O-N 3.31Å; A389-A393 WeakPolarHBondContact O-CB 3.22Å; A389-A393 PolarHBondContact O-N 2.04Å |
| 390 | A | 53.2 | Low | 51.1 | Low | 61 Ų | 61 | 70.7 Ų | 70.7 | 50% | 0.504 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.4 | -40 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A386 A393 A394 | A386-A390 VanDerWaalsContact O-CB 3.24Å; A386-A390 WeakPolarHBondContact O-CB 3.35Å; A386-A390 PolarHBondContact O-N 3.4Å; A390-A393 PolarHBondContact O-N 3.14Å; A390-A394 WeakPolarHBondContact O-CB 3.5Å; A390-A394 PolarHBondContact O-N 3.44Å |
| 391 | A | 54.8 | Low | 50.5 | Low | 57 Ų | 57 | 68.5 Ų | 68.5 | 47% | 0.471 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.2 | -35.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A387 A388 A395 | A387-A391 WeakPolarHBondContact O-CB 3.48Å; A387-A391 PolarHBondContact O-N 3.21Å; A388-A391 PolarHBondContact O-N 3.35Å; A391-A395 WeakPolarHBondContact O-CA 3.4Å; A391-A395 WeakPolarHBondContact O-CB 3.35Å; A391-A395 PolarHBondContact O-N 3.15Å |
| 392 | A | 53.5 | Low | 49.9 | Very low | 60 Ų | 60 | 69.1 Ų | 69.1 | 50% | 0.496 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.5 | -41.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A388 A389 A395 A396 | A388-A392 WeakPolarHBondContact O-CB 3.39Å; A388-A392 PolarHBondContact O-N 3.06Å; A389-A392 PolarHBondContact O-N 3.31Å; A392-A395 PolarHBondContact O-N 2.04Å; A392-A396 WeakPolarHBondContact O-CB 3.39Å; A392-A396 PolarHBondContact O-N 3.08Å |
| 393 | A | 51.8 | Low | 49.7 | Very low | 63 Ų | 63 | 71 Ų | 71 | 52% | 0.521 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.4 | -41.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A389 A390 A395 A396 A397 | A389-A393 WeakPolarHBondContact O-CB 3.22Å; A389-A393 PolarHBondContact O-N 2.04Å; A390-A393 PolarHBondContact O-N 3.14Å; A393-A395 VanDerWaalsContact C-N 3.34Å; A393-A396 PolarHBondContact O-N 2.75Å; A393-A397 PolarHBondContact O-N 2.74Å |
| 394 | A | 52.4 | Low | 49.5 | Very low | 57 Ų | 57 | 70.2 Ų | 70.2 | 47% | 0.471 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.1 | -33.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | A390 A397 A398 | A390-A394 WeakPolarHBondContact O-CB 3.5Å; A390-A394 PolarHBondContact O-N 3.44Å; A394-A397 PolarHBondContact O-N 2.99Å; A394-A398 WeakPolarHBondContact O-CA 3.33Å; A394-A398 WeakPolarHBondContact O-CB 3.48Å; A394-A398 PolarHBondContact O-N 3.5Å |
| 395 | A | 48.8 | Very low | 49.7 | Very low | 60 Ų | 60 | 73 Ų | 73 | 50% | 0.496 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -77.2 | -25.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | A391 A392 A393 G399 | A391-A395 WeakPolarHBondContact O-CA 3.4Å; A391-A395 WeakPolarHBondContact O-CB 3.35Å; A391-A395 PolarHBondContact O-N 3.15Å; A392-A395 PolarHBondContact O-N 2.04Å; A393-A395 VanDerWaalsContact C-N 3.34Å; A395-G399 VanDerWaalsContact O-CA 3.25Å; A395-G399 WeakPolarHBondContact O-CA 3.43Å; A395-G399 PolarHBondContact O-N 2.84Å |
| 396 | A | 49.5 | Very low | 49.9 | Very low | 74 Ų | 74 | 78.2 Ų | 78.2 | 61% | 0.612 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70.6 | -43.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111 | A392 A393 | A392-A396 WeakPolarHBondContact O-CB 3.39Å; A392-A396 PolarHBondContact O-N 3.08Å; A393-A396 PolarHBondContact O-N 2.75Å |
| 397 | A | 49.1 | Very low | 51.2 | Low | 73 Ų | 73 | 77.9 Ų | 77.9 | 60% | 0.603 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.7 | -44.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A393 A394 N400 G401 | A393-A397 PolarHBondContact O-N 2.74Å; A394-A397 PolarHBondContact O-N 2.99Å; A397-N400 PolarHBondContact O-N 2.96Å; A397-G401 PolarHBondContact O-N 3.06Å |
| 398 | A | 47.8 | Very low | 52.9 | Low | 52 Ų | 52 | 78.7 Ų | 78.7 | 43% | 0.43 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -80.5 | -18.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A394 N400 G401 A402 | A394-A398 WeakPolarHBondContact O-CA 3.33Å; A394-A398 WeakPolarHBondContact O-CB 3.48Å; A394-A398 PolarHBondContact O-N 3.5Å; A398-N400 PolarHBondContact O-N 2.99Å; A398-G401 VanDerWaalsContact C-N 3.34Å; A398-G401 CarbonylContact O-C 3.56Å; A398-G401 WeakPolarHBondContact O-CA 3.25Å; A398-G401 PolarHBondContact O-N 3.33Å; A398-A402 WeakPolarHBondContact O-CB 3.34Å; A398-A402 PolarHBondContact O-N 2.04Å |
| 399 | G | 39.6 | Very low | 54.6 | Low | 60 Ų | 60 | 78.4 Ų | 78.4 | 62% | 0.619 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.6 | -31.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112 | A395 | A395-G399 VanDerWaalsContact O-CA 3.25Å; A395-G399 WeakPolarHBondContact O-CA 3.43Å; A395-G399 PolarHBondContact O-N 2.84Å |
| 400 | N | 47.8 | Very low | 56.5 | Low | 151 Ų | 151 | 75.4 Ų | 75.4 | 81% | 0.807 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -3.6 | 168.6 | -107.9 | 64.9 | 0 | 0 | 0 | 113.9 | A397 A398 | A397-N400 PolarHBondContact O-N 2.96Å; A398-N400 PolarHBondContact O-N 2.99Å |
| 401 | G | 42.1 | Very low | 58.3 | Low | 43 Ų | 43 | 78.2 Ų | 78.2 | 44% | 0.443 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -23 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | A397 A398 N403 G404 | A397-G401 PolarHBondContact O-N 3.06Å; A398-G401 VanDerWaalsContact C-N 3.34Å; A398-G401 CarbonylContact O-C 3.56Å; A398-G401 WeakPolarHBondContact O-CA 3.25Å; A398-G401 PolarHBondContact O-N 3.33Å; G401-N403 VanDerWaalsContact C-N 3.26Å; G401-N403 PolarHBondContact O-N 3.5Å; G401-G404 WeakPolarHBondContact O-CA 3.03Å; G401-G404 PolarHBondContact O-N 2.9Å |
| 402 | A | 40.8 | Very low | 60 | Low | 82 Ų | 82 | 79.5 Ų | 79.5 | 68% | 0.678 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -9.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | A398 | A398-A402 WeakPolarHBondContact O-CB 3.34Å; A398-A402 PolarHBondContact O-N 2.04Å |
| 403 | N | 44.5 | Very low | 61.7 | Low | 163 Ų | 163 | 83.5 Ų | 83.5 | 87% | 0.872 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125 | 22.2 | 158.7 | -85.2 | -87.2 | 0 | 0 | 0 | 110.6 | G401 Q405 | G401-N403 VanDerWaalsContact C-N 3.26Å; G401-N403 PolarHBondContact O-N 3.5Å; N403-Q405 VanDerWaalsContact C-N 3.26Å; N403-Q405 PolarHBondContact O-N 3.33Å |
| 404 | G | 44.4 | Very low | 63.3 | Low | 43 Ų | 43 | 82 Ų | 82 | 44% | 0.443 | 51% | 0.51 | S | S | . | . | | | trans | -79.7 | 54.9 | -165.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | G401 Q406 | G401-G404 WeakPolarHBondContact O-CA 3.03Å; G401-G404 PolarHBondContact O-N 2.9Å; G404-Q406 PolarHBondContact O-N 3.47Å |
| 405 | Q | 54 | Low | 64.7 | Low | 123 Ų | 123 | 85.5 Ų | 85.5 | 58% | 0.575 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 121.6 | 158.4 | -70.9 | -167.9 | -31.4 | 0 | 0 | 107.8 | N403 Y408 | N403-Q405 VanDerWaalsContact C-N 3.26Å; N403-Q405 PolarHBondContact O-N 3.33Å; Q405-Y408 HydrophobicContact CB-CE2 4.48Å; Q405-Y408 PolarHBondContact NE2-OH 3.41Å |
| 406 | Q | 58.3 | Low | 66 | Low | 173 Ų | 173 | 88.7 Ų | 88.7 | 81% | 0.808 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 127.5 | 168.6 | -69.7 | -158.2 | 15.7 | 0 | 0 | 107.5 | G404 Y408 | G404-Q406 PolarHBondContact O-N 3.47Å; Q406-Y408 PolarHBondContact O-N 2.75Å; Q406-Y408 VanDerWaalsContact O-N 3.11Å |
| 407 | P | 79.4 | Confident | 67.6 | Low | 54 Ų | 54 | 92.1 Ų | 92.1 | 35% | 0.351 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 121.1 | -170.6 | 25.3 | -35.6 | 0 | 0 | 0 | 109 | V409 R422 F423 | P407-V409 WeakPolarHBondContact O-CG2 3.42Å; P407-V409 PolarHBondContact O-N 2.82Å; P407-V409 VanDerWaalsContact O-N 3.16Å; P407-R422 HydrophobicContact CB-CB 4.41Å; P407-F423 CarbonylContact C-O 3.53Å |
| 408 | Y | 88.4 | Confident | 69.7 | Low | 79 Ų | 79 | 94.7 Ų | 94.7 | 31% | 0.31 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 115.8 | -168.8 | -71.5 | -84.8 | 0 | 0 | 0 | 110.3 | Q405 Q406 R422 F423 G426 L429 | Q405-Y408 HydrophobicContact CB-CE2 4.48Å; Q405-Y408 PolarHBondContact NE2-OH 3.41Å; Q406-Y408 PolarHBondContact O-N 2.75Å; Q406-Y408 VanDerWaalsContact O-N 3.11Å; Y408-R422 CarbonylContact O-C 3.47Å; Y408-R422 WeakPolarHBondContact O-CA 3.42Å; Y408-F423 PolarHBondContact N-O 3.34Å; Y408-F423 WeakPolarHBondContact O-CD2 3.07Å; Y408-F423 PolarHBondContact O-N 3.47Å; Y408-G426 VanDerWaalsContact CE2-N 3.31Å; Y408-L429 HydrophobicContact CD1-CD2 4.11Å; Y408-L429 HydrophobicContact CG-CD2 4.49Å |
| 409 | V | 91.8 | Very high | 71.8 | Confident | 55 Ų | 55 | 93.7 Ų | 93.7 | 33% | 0.333 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 129.7 | -176.5 | -169.9 | 0 | 0 | 0 | 0 | 110.7 | P407 N411 K421 R422 L429 | P407-V409 WeakPolarHBondContact O-CG2 3.42Å; P407-V409 PolarHBondContact O-N 2.82Å; P407-V409 VanDerWaalsContact O-N 3.16Å; V409-N411 PolarHBondContact O-N 2.93Å; V409-N411 VanDerWaalsContact O-N 3.12Å; V409-K421 CarbonylContact C-O 3.56Å; V409-K421 WeakPolarHBondContact CA-O 2.96Å; V409-R422 HydrophobicContact CG2-CG 4.21Å; V409-L429 VanDerWaalsContact C-CD1 3.48Å |
| 410 | C | 94.4 | Very high | 74.3 | Confident | 0 Ų | 0 | 92 Ų | 92 | 0% | 0 | 51% | 0.505 | C | S | . | . | | | trans | -72.7 | 104.3 | 172.4 | -170.8 | 0 | 0 | 0 | 0 | 110.6 | W412 C419 G420 K421 F423 L429 H432 | C410-W412 PolarHBondContact O-N 3.3Å; C410-C419 HydrophobicContact CB-CB 4.29Å; C410-G420 PolarHBondContact O-N 2.84Å; C410-K421 PolarHBondContact N-O 3.12Å; C410-F423 HydrophobicContact CB-CE2 4.19Å; C410-L429 HydrophobicContact CB-CD1 4.08Å; C410-H432 VanDerWaalsContact SG-CD2 3.58Å |
| 411 | N | 91.9 | Very high | 76.4 | Confident | 121 Ų | 121 | 90.5 Ų | 90.5 | 65% | 0.647 | 49% | 0.491 | S | S | * | . | | | trans | -84.4 | 24.3 | 176.7 | -156.3 | 73.3 | 0 | 0 | 0 | 113.2 | V409 Y418 | V409-N411 PolarHBondContact O-N 2.93Å; V409-N411 VanDerWaalsContact O-N 3.12Å; N411-Y418 HydrophobicContact CB-CE2 4.48Å; N411-Y418 WeakPolarHBondContact OD1-CE2 3.38Å; N411-Y418 PolarHBondContact OD1-OH 3.47Å; N411-Y418 VanDerWaalsContact OD1-OH 3.13Å |
| 412 | W | 89.7 | Confident | 78.8 | Confident | 84 Ų | 84 | 96.6 Ų | 96.6 | 32% | 0.318 | 50% | 0.501 | S | S | . | . | | | trans | -71.5 | 137.7 | 176.4 | -165.9 | -89.3 | 0 | 0 | 0 | 110.9 | C410 C419 L433 H436 D440 | C410-W412 PolarHBondContact O-N 3.3Å; W412-C419 HydrophobicContact CB-CB 4.4Å; W412-C419 PolarHBondContact O-N 2.85Å; W412-L433 HydrophobicContact CE3-CD2 4.3Å; W412-H436 HydrophobicContact CB-CB 4.37Å; W412-H436 AromaticContact CD1-CE1 3.69Å; W412-H436 AromaticContact CD1-CG 3.44Å; W412-H436 VanDerWaalsContact CD1-CG 3.44Å; W412-H436 AromaticContact CD1-ND1 3.08Å; W412-H436 HydrophobicContact CD2-CB 3.57Å; W412-H436 AromaticContact CD2-CG 3.95Å; W412-H436 HydrophobicContact CE3-CB 4.15Å; W412-H436 HydrophobicContact CG-CB 3.66Å; W412-H436 AromaticContact CG-CD2 3.93Å; W412-H436 AromaticContact CG-CG 3.45Å; W412-H436 VanDerWaalsContact CG-CG 3.45Å; W412-H436 AromaticContact CG-ND1 3.58Å; W412-H436 HydrophobicContact CZ2-CB 4.22Å; W412-H436 AromaticContact NE1-CG 3.85Å; W412-H436 AromaticContact NE1-ND1 3.57Å; W412-D440 PolarHBondContact NE1-OD2 3.34Å |
| 413 | M | 88.8 | Confident | 81.2 | Confident | 143 Ų | 143 | 94.4 Ų | 94.4 | 70% | 0.704 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 111.2 | -177.6 | 166.6 | -177.2 | 159.8 | 0 | 0 | 107.5 | | |
| 414 | T | 85.8 | Confident | 83.3 | Confident | 32 Ų | 32 | 90.5 Ų | 90.5 | 20% | 0.196 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 156.9 | 155.2 | -51.9 | 0 | 0 | 0 | 0 | 106.9 | D416 Q417 D440 | T414-D416 PolarHBondContact O-N 3.4Å; T414-Q417 PolarHBondContact N-O 3.25Å; T414-Q417 PolarHBondContact O-N 3.05Å; T414-Q417 VanDerWaalsContact O-O 3.13Å; T414-D440 WeakPolarHBondContact CG2-OD1 3.01Å; T414-D440 PolarHBondContact OG1-OD1 3.23Å; T414-D440 PolarHBondContact OG1-OD2 3.35Å |
| 415 | V | 81.3 | Confident | 85.6 | Confident | 130 Ų | 130 | 90.4 Ų | 90.4 | 79% | 0.788 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.5 | -40.8 | -173.6 | 178 | 0 | 0 | 0 | 0 | 113.9 | | |
| 416 | D | 77.3 | Confident | 87.5 | Confident | 128 Ų | 128 | 85.6 Ų | 85.6 | 68% | 0.684 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | -5.1 | -177.2 | -51 | -85.1 | 0 | 0 | 0 | 115.3 | T414 | T414-D416 PolarHBondContact O-N 3.4Š|
| 417 | Q | 83.6 | Confident | 89.2 | Confident | 146 Ų | 146 | 82.3 Ų | 82.3 | 68% | 0.682 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 129.4 | -168.8 | -69 | -65.6 | -67.9 | 0 | 0 | 113.9 | T414 | T414-Q417 PolarHBondContact N-O 3.25Å; T414-Q417 PolarHBondContact O-N 3.05Å; T414-Q417 VanDerWaalsContact O-O 3.13Å |
| 418 | Y | 92 | Very high | 89.8 | Confident | 127 Ų | 127 | 83.9 Ų | 83.9 | 50% | 0.498 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 133.8 | 168.9 | 178.6 | -108.3 | 0 | 0 | 0 | 110.6 | N411 | N411-Y418 HydrophobicContact CB-CE2 4.48Å; N411-Y418 WeakPolarHBondContact OD1-CE2 3.38Å; N411-Y418 PolarHBondContact OD1-OH 3.47Å; N411-Y418 VanDerWaalsContact OD1-OH 3.13Å |
| 419 | C | 92.6 | Very high | 90.1 | Very high | 30 Ų | 30 | 81.4 Ų | 81.4 | 20% | 0.203 | 43% | 0.425 | C | S | . | . | | | trans | -76.3 | -50.9 | -175.1 | -169.4 | 0 | 0 | 0 | 0 | 114 | C410 W412 K421 H432 H436 | C410-C419 HydrophobicContact CB-CB 4.29Å; W412-C419 HydrophobicContact CB-CB 4.4Å; W412-C419 PolarHBondContact O-N 2.85Å; C419-K421 PolarHBondContact O-N 3.45Å; C419-H432 PolarHBondContact SG-NE2 3.49Å; C419-H436 WeakPolarHBondContact CB-NE2 3.48Å; C419-H436 PolarHBondContact SG-NE2 3.41Å |
| 420 | G | 92 | Very high | 90.1 | Very high | 25 Ų | 25 | 83 Ų | 83 | 26% | 0.258 | 43% | 0.431 | S | S | . | . | | | trans | 63 | 0.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | C410 R422 | C410-G420 PolarHBondContact O-N 2.84Å; G420-R422 WeakPolarHBondContact O-CG 3.25Å; G420-R422 PolarHBondContact O-N 3.46Å |
| 421 | K | 91.9 | Very high | 90 | Very high | 119 Ų | 119 | 88.5 Ų | 88.5 | 52% | 0.517 | 46% | 0.457 | S | S | . | . | | | trans | -61.2 | 135.9 | 179.8 | -69.9 | -179.7 | -172.3 | 173.2 | 0 | 110.8 | V409 C410 C419 F423 | V409-K421 CarbonylContact C-O 3.56Å; V409-K421 WeakPolarHBondContact CA-O 2.96Å; C410-K421 PolarHBondContact N-O 3.12Å; C419-K421 PolarHBondContact O-N 3.45Å; K421-F423 HydrophobicContact CB-CE2 3.64Å; K421-F423 HydrophobicContact CB-CZ 3.66Å; K421-F423 HydrophobicContact CD-CZ 4.39Å; K421-F423 WeakPolarHBondContact O-CE2 3.46Å |
| 422 | R | 92.4 | Very high | 90.2 | Very high | 171 Ų | 171 | 83.8 Ų | 83.8 | 65% | 0.645 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 133 | -175.6 | -41.4 | -173.3 | 85.6 | -163 | 9.6 | 109.5 | P407 Y408 V409 G420 | P407-R422 HydrophobicContact CB-CB 4.41Å; Y408-R422 CarbonylContact O-C 3.47Å; Y408-R422 WeakPolarHBondContact O-CA 3.42Å; V409-R422 HydrophobicContact CG2-CG 4.21Å; G420-R422 WeakPolarHBondContact O-CG 3.25Å; G420-R422 PolarHBondContact O-N 3.46Å |
| 423 | F | 91.9 | Very high | 90.3 | Very high | 36 Ų | 36 | 82.3 Ų | 82.3 | 16% | 0.158 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 149.8 | -175.3 | -60.2 | -81.8 | 0 | 0 | 0 | 111.3 | P407 Y408 C410 K421 S425 E428 L429 H432 | P407-F423 CarbonylContact C-O 3.53Å; Y408-F423 PolarHBondContact N-O 3.34Å; Y408-F423 WeakPolarHBondContact O-CD2 3.07Å; Y408-F423 PolarHBondContact O-N 3.47Å; C410-F423 HydrophobicContact CB-CE2 4.19Å; K421-F423 HydrophobicContact CB-CE2 3.64Å; K421-F423 HydrophobicContact CB-CZ 3.66Å; K421-F423 HydrophobicContact CD-CZ 4.39Å; K421-F423 WeakPolarHBondContact O-CE2 3.46Å; F423-S425 VanDerWaalsContact C-N 3.32Å; F423-E428 HydrophobicContact CB-CB 3.93Å; F423-E428 HydrophobicContact CD1-CB 3.57Å; F423-E428 HydrophobicContact CE1-CB 4.43Å; F423-E428 HydrophobicContact CG-CB 3.96Å; F423-L429 HydrophobicContact CD2-CB 4.18Å; F423-L429 HydrophobicContact CD2-CD1 3.88Å; F423-L429 HydrophobicContact CE2-CD1 4.31Å; F423-H432 HydrophobicContact CE1-CB 4.19Å; F423-H432 HydrophobicContact CE2-CB 4.15Å; F423-H432 AromaticContact CE2-CD2 3.43Å; F423-H432 VanDerWaalsContact CE2-CD2 3.43Å; F423-H432 WeakPolarHBondContact CE2-CD2 3.12Å; F423-H432 HydrophobicContact CZ-CB 3.64Å; F423-H432 AromaticContact CZ-CD2 3.29Å; F423-H432 WeakPolarHBondContact CZ-CD2 3.14Å; F423-H432 AromaticContact CZ-CG 3.55Å |
| 424 | A | 87.9 | Confident | 90.5 | Very high | 82 Ų | 82 | 81.3 Ų | 81.3 | 68% | 0.678 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -76.1 | -25 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E428 | A424-E428 PolarHBondContact N-OE2 2.82Š|
| 425 | S | 92.2 | Very high | 90.7 | Very high | 40 Ų | 40 | 82.2 Ų | 82.2 | 28% | 0.28 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -129.6 | 157.6 | -179.6 | 72.8 | 0 | 0 | 0 | 0 | 113.5 | F423 D427 E428 L429 | F423-S425 VanDerWaalsContact C-N 3.32Å; S425-D427 VanDerWaalsContact C-N 3.32Å; S425-E428 WeakPolarHBondContact CB-OE2 3.06Å; S425-E428 PolarHBondContact N-OE2 2.85Å; S425-E428 VanDerWaalsContact OG-CG 3.24Å; S425-E428 WeakPolarHBondContact OG-CG 3.05Å; S425-E428 PolarHBondContact OG-N 3.4Å; S425-E428 PolarHBondContact OG-OE2 3.13Å; S425-L429 PolarHBondContact O-N 2.83Å |
| 426 | G | 94.3 | Very high | 91.1 | Very high | 22 Ų | 22 | 77.4 Ų | 77.4 | 23% | 0.227 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -71.8 | -22.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y408 L430 | Y408-G426 VanDerWaalsContact CE2-N 3.31Å; G426-L430 VanDerWaalsContact O-CG 3.3Å; G426-L430 WeakPolarHBondContact O-CG 3.49Å; G426-L430 PolarHBondContact O-N 3.33Å; G426-L430 VanDerWaalsContact O-N 3.1Å |
| 427 | D | 93.1 | Very high | 91.5 | Very high | 104 Ų | 104 | 74 Ų | 74 | 56% | 0.556 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -77.5 | -39.3 | 177.8 | -170.4 | -112.2 | 0 | 0 | 0 | 112 | S425 L429 L430 Q431 R434 | S425-D427 VanDerWaalsContact C-N 3.32Å; D427-L429 VanDerWaalsContact C-N 3.3Å; D427-L429 PolarHBondContact O-N 2.88Å; D427-L430 PolarHBondContact O-N 2.78Å; D427-L430 VanDerWaalsContact O-N 3.14Å; D427-Q431 WeakPolarHBondContact O-CB 3.32Å; D427-Q431 PolarHBondContact O-N 2.94Å; D427-R434 IonicContact OD2-NH2 3.92Å |
| 428 | E | 93 | Very high | 91.6 | Very high | 87 Ų | 87 | 71.2 Ų | 71.2 | 41% | 0.407 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.2 | -42 | 170.2 | -68.8 | 166.1 | 110 | 0 | 0 | 111.6 | F423 A424 S425 L430 Q431 H432 | F423-E428 HydrophobicContact CB-CB 3.93Å; F423-E428 HydrophobicContact CD1-CB 3.57Å; F423-E428 HydrophobicContact CE1-CB 4.43Å; F423-E428 HydrophobicContact CG-CB 3.96Å; A424-E428 PolarHBondContact N-OE2 2.82Å; S425-E428 WeakPolarHBondContact CB-OE2 3.06Å; S425-E428 PolarHBondContact N-OE2 2.85Å; S425-E428 VanDerWaalsContact OG-CG 3.24Å; S425-E428 WeakPolarHBondContact OG-CG 3.05Å; S425-E428 PolarHBondContact OG-N 3.4Å; S425-E428 PolarHBondContact OG-OE2 3.13Å; E428-L430 VanDerWaalsContact C-N 3.34Å; E428-L430 PolarHBondContact O-N 3.46Å; E428-Q431 PolarHBondContact O-N 3.33Å; E428-H432 VanDerWaalsContact O-CB 3.32Å; E428-H432 WeakPolarHBondContact O-CB 3.46Å; E428-H432 PolarHBondContact O-N 2.95Å |
| 429 | L | 93.6 | Very high | 90.9 | Very high | 28 Ų | 28 | 70.3 Ų | 70.3 | 15% | 0.147 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57 | -48.1 | 173.2 | 180 | 80.8 | 0 | 0 | 0 | 110.8 | Y408 V409 C410 F423 S425 D427 H432 L433 | Y408-L429 HydrophobicContact CD1-CD2 4.11Å; Y408-L429 HydrophobicContact CG-CD2 4.49Å; V409-L429 VanDerWaalsContact C-CD1 3.48Å; C410-L429 HydrophobicContact CB-CD1 4.08Å; F423-L429 HydrophobicContact CD2-CB 4.18Å; F423-L429 HydrophobicContact CD2-CD1 3.88Å; F423-L429 HydrophobicContact CE2-CD1 4.31Å; S425-L429 PolarHBondContact O-N 2.83Å; D427-L429 VanDerWaalsContact C-N 3.3Å; D427-L429 PolarHBondContact O-N 2.88Å; L429-H432 PolarHBondContact O-N 3.02Å; L429-L433 HydrophobicContact CD2-CD1 4.16Å; L429-L433 HydrophobicContact CG-CD1 3.9Å; L429-L433 HydrophobicContact CG-CG 4.48Å; L429-L433 WeakPolarHBondContact O-CB 3.02Å; L429-L433 WeakPolarHBondContact O-CG 3.09Å; L429-L433 PolarHBondContact O-N 2.72Å |
| 430 | L | 91.8 | Very high | 90.2 | Very high | 89 Ų | 89 | 70.2 Ų | 70.2 | 47% | 0.466 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.1 | -42.1 | 179.7 | -72.6 | 168.1 | 0 | 0 | 0 | 112 | G426 D427 E428 H432 L433 R434 | G426-L430 VanDerWaalsContact O-CG 3.3Å; G426-L430 WeakPolarHBondContact O-CG 3.49Å; G426-L430 PolarHBondContact O-N 3.33Å; G426-L430 VanDerWaalsContact O-N 3.1Å; D427-L430 PolarHBondContact O-N 2.78Å; D427-L430 VanDerWaalsContact O-N 3.14Å; E428-L430 VanDerWaalsContact C-N 3.34Å; E428-L430 PolarHBondContact O-N 3.46Å; L430-H432 VanDerWaalsContact C-N 3.26Å; L430-H432 PolarHBondContact O-N 3.38Å; L430-L433 HydrophobicContact CD2-CD1 4.42Å; L430-L433 PolarHBondContact O-N 2.94Å; L430-R434 VanDerWaalsContact O-CG 3.28Å; L430-R434 WeakPolarHBondContact O-CG 3.4Å; L430-R434 PolarHBondContact O-N 3.42Å |
| 431 | Q | 93.6 | Very high | 89.2 | Confident | 115 Ų | 115 | 72.1 Ų | 72.1 | 54% | 0.537 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.2 | -37.1 | 175 | 177.9 | 58.5 | 8.6 | 0 | 0 | 111.8 | D427 E428 S435 | D427-Q431 WeakPolarHBondContact O-CB 3.32Å; D427-Q431 PolarHBondContact O-N 2.94Å; E428-Q431 PolarHBondContact O-N 3.33Å; Q431-S435 PolarHBondContact O-N 3.14Å |
| 432 | H | 94.7 | Very high | 87.9 | Confident | 22 Ų | 22 | 73 Ų | 73 | 10% | 0.102 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -76.3 | -36.9 | 175.5 | 176.3 | 42.6 | 0 | 0 | 0 | 113.2 | C410 C419 F423 E428 L429 L430 R434 S435 H436 | C410-H432 VanDerWaalsContact SG-CD2 3.58Å; C419-H432 PolarHBondContact SG-NE2 3.49Å; F423-H432 HydrophobicContact CE1-CB 4.19Å; F423-H432 HydrophobicContact CE2-CB 4.15Å; F423-H432 AromaticContact CE2-CD2 3.43Å; F423-H432 VanDerWaalsContact CE2-CD2 3.43Å; F423-H432 WeakPolarHBondContact CE2-CD2 3.12Å; F423-H432 HydrophobicContact CZ-CB 3.64Å; F423-H432 AromaticContact CZ-CD2 3.29Å; F423-H432 WeakPolarHBondContact CZ-CD2 3.14Å; F423-H432 AromaticContact CZ-CG 3.55Å; E428-H432 VanDerWaalsContact O-CB 3.32Å; E428-H432 WeakPolarHBondContact O-CB 3.46Å; E428-H432 PolarHBondContact O-N 2.95Å; L429-H432 PolarHBondContact O-N 3.02Å; L430-H432 VanDerWaalsContact C-N 3.26Å; L430-H432 PolarHBondContact O-N 3.38Å; H432-R434 VanDerWaalsContact C-N 3.26Å; H432-R434 PolarHBondContact O-N 3.49Å; H432-S435 PolarHBondContact ND1-OG 3.45Å; H432-S435 WeakPolarHBondContact O-CB 3.45Å; H432-S435 PolarHBondContact O-N 3.43Å; H432-S435 PolarHBondContact O-OG 2.92Å; H432-H436 AromaticContact CE1-CD2 3.41Å; H432-H436 PolarHBondContact CE1-CD2 3.34Å; H432-H436 VanDerWaalsContact CE1-CD2 3.41Å; H432-H436 AromaticContact CE1-NE2 3.2Å; H432-H436 PolarHBondContact CE1-NE2 3.33Å; H432-H436 AromaticContact NE2-CD2 3.66Å; H432-H436 AromaticContact NE2-NE2 3.37Å; H432-H436 PolarHBondContact NE2-NE2 2.93Å; H432-H436 PolarHBondContact O-N 3.18Å |
| 433 | L | 92.5 | Very high | 86.6 | Confident | 52 Ų | 52 | 71.6 Ų | 71.6 | 27% | 0.272 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.9 | -37.8 | 172.1 | -78.2 | 163.9 | 0 | 0 | 0 | 111.8 | W412 L429 L430 S435 H436 A437 | W412-L433 HydrophobicContact CE3-CD2 4.3Å; L429-L433 HydrophobicContact CD2-CD1 4.16Å; L429-L433 HydrophobicContact CG-CD1 3.9Å; L429-L433 HydrophobicContact CG-CG 4.48Å; L429-L433 WeakPolarHBondContact O-CB 3.02Å; L429-L433 WeakPolarHBondContact O-CG 3.09Å; L429-L433 PolarHBondContact O-N 2.72Å; L430-L433 HydrophobicContact CD2-CD1 4.42Å; L430-L433 PolarHBondContact O-N 2.94Å; L433-S435 VanDerWaalsContact C-N 3.29Å; L433-S435 PolarHBondContact O-N 3.37Å; L433-H436 PolarHBondContact O-N 3.45Å; L433-A437 PolarHBondContact O-N 3.03Å |
| 434 | R | 93 | Very high | 85 | Confident | 122 Ų | 122 | 74.4 Ų | 74.4 | 46% | 0.46 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -57.6 | -41 | 171.7 | -64.7 | 162.1 | -155.6 | 145.5 | 4.9 | 111.9 | D427 L430 H432 H436 A437 T438 | D427-R434 IonicContact OD2-NH2 3.92Å; L430-R434 VanDerWaalsContact O-CG 3.28Å; L430-R434 WeakPolarHBondContact O-CG 3.4Å; L430-R434 PolarHBondContact O-N 3.42Å; H432-R434 VanDerWaalsContact C-N 3.26Å; H432-R434 PolarHBondContact O-N 3.49Å; R434-H436 VanDerWaalsContact C-N 3.27Å; R434-H436 PolarHBondContact O-N 3.42Å; R434-A437 PolarHBondContact O-N 3.37Å; R434-T438 PolarHBondContact O-N 3.04Å; R434-T438 VanDerWaalsContact O-N 3.13Å; R434-T438 PolarHBondContact O-OG1 3.17Å |
| 435 | S | 90.1 | Very high | 83 | Confident | 51 Ų | 51 | 74.4 Ų | 74.4 | 36% | 0.357 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63.7 | -30.5 | -179.4 | 73.5 | 0 | 0 | 0 | 0 | 113.5 | Q431 H432 L433 T438 H439 | Q431-S435 PolarHBondContact O-N 3.14Å; H432-S435 PolarHBondContact ND1-OG 3.45Å; H432-S435 WeakPolarHBondContact O-CB 3.45Å; H432-S435 PolarHBondContact O-N 3.43Å; H432-S435 PolarHBondContact O-OG 2.92Å; L433-S435 VanDerWaalsContact C-N 3.29Å; L433-S435 PolarHBondContact O-N 3.37Å; S435-T438 WeakPolarHBondContact CA-OG1 3.45Å; S435-T438 PolarHBondContact O-OG1 3.13Å; S435-H439 VanDerWaalsContact O-CB 3.23Å; S435-H439 WeakPolarHBondContact O-CB 3.24Å; S435-H439 PolarHBondContact O-N 3.14Å; S435-H439 VanDerWaalsContact O-N 3.12Å |
| 436 | H | 88.8 | Confident | 80.8 | Confident | 29 Ų | 29 | 78.6 Ų | 78.6 | 13% | 0.134 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -69.8 | -50.1 | 172.7 | -83.8 | -74.5 | 0 | 0 | 0 | 112 | W412 C419 H432 L433 R434 T438 H439 D440 | W412-H436 HydrophobicContact CB-CB 4.37Å; W412-H436 AromaticContact CD1-CE1 3.69Å; W412-H436 AromaticContact CD1-CG 3.44Å; W412-H436 VanDerWaalsContact CD1-CG 3.44Å; W412-H436 AromaticContact CD1-ND1 3.08Å; W412-H436 HydrophobicContact CD2-CB 3.57Å; W412-H436 AromaticContact CD2-CG 3.95Å; W412-H436 HydrophobicContact CE3-CB 4.15Å; W412-H436 HydrophobicContact CG-CB 3.66Å; W412-H436 AromaticContact CG-CD2 3.93Å; W412-H436 AromaticContact CG-CG 3.45Å; W412-H436 VanDerWaalsContact CG-CG 3.45Å; W412-H436 AromaticContact CG-ND1 3.58Å; W412-H436 HydrophobicContact CZ2-CB 4.22Å; W412-H436 AromaticContact NE1-CG 3.85Å; W412-H436 AromaticContact NE1-ND1 3.57Å; C419-H436 WeakPolarHBondContact CB-NE2 3.48Å; C419-H436 PolarHBondContact SG-NE2 3.41Å; H432-H436 AromaticContact CE1-CD2 3.41Å; H432-H436 PolarHBondContact CE1-CD2 3.34Å; H432-H436 VanDerWaalsContact CE1-CD2 3.41Å; H432-H436 AromaticContact CE1-NE2 3.2Å; H432-H436 PolarHBondContact CE1-NE2 3.33Å; H432-H436 AromaticContact NE2-CD2 3.66Å; H432-H436 AromaticContact NE2-NE2 3.37Å; H432-H436 PolarHBondContact NE2-NE2 2.93Å; H432-H436 PolarHBondContact O-N 3.18Å; L433-H436 PolarHBondContact O-N 3.45Å; R434-H436 VanDerWaalsContact C-N 3.27Å; R434-H436 PolarHBondContact O-N 3.42Å; H436-T438 PolarHBondContact O-N 3.47Å; H436-H439 PolarHBondContact O-N 2.82Å; H436-D440 PolarHBondContact O-N 3Å |
| 437 | A | 85.8 | Confident | 78.4 | Confident | 57 Ų | 57 | 80.8 Ų | 80.8 | 47% | 0.471 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -55.6 | -38.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L433 R434 A441 | L433-A437 PolarHBondContact O-N 3.03Å; R434-A437 PolarHBondContact O-N 3.37Å; A437-A441 WeakPolarHBondContact O-CB 3.41Å; A437-A441 PolarHBondContact O-N 3.34Å |
| 438 | T | 85.5 | Confident | 76.2 | Confident | 87 Ų | 87 | 81.4 Ų | 81.4 | 53% | 0.534 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -71.2 | -34.3 | 173.6 | 49.9 | 0 | 0 | 0 | 0 | 113.7 | R434 S435 H436 L442 | R434-T438 PolarHBondContact O-N 3.04Å; R434-T438 VanDerWaalsContact O-N 3.13Å; R434-T438 PolarHBondContact O-OG1 3.17Å; S435-T438 WeakPolarHBondContact CA-OG1 3.45Å; S435-T438 PolarHBondContact O-OG1 3.13Å; H436-T438 PolarHBondContact O-N 3.47Å; T438-L442 WeakPolarHBondContact O-CG 3.49Å; T438-L442 PolarHBondContact O-N 3.16Å |
| 439 | H | 78.2 | Confident | 73.8 | Confident | 108 Ų | 108 | 83.1 Ų | 83.1 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -78.5 | -43.7 | -175.3 | -177.7 | -87.1 | 0 | 0 | 0 | 112.5 | S435 H436 A441 L442 K443 | S435-H439 VanDerWaalsContact O-CB 3.23Å; S435-H439 WeakPolarHBondContact O-CB 3.24Å; S435-H439 PolarHBondContact O-N 3.14Å; S435-H439 VanDerWaalsContact O-N 3.12Å; H436-H439 PolarHBondContact O-N 2.82Å; H439-A441 VanDerWaalsContact C-N 3.28Å; H439-A441 PolarHBondContact O-N 3.21Å; H439-L442 PolarHBondContact O-N 3.37Å; H439-K443 WeakPolarHBondContact O-CB 3.29Å; H439-K443 PolarHBondContact O-N 3.46Å |
| 440 | D | 77.7 | Confident | 71.7 | Confident | 28 Ų | 28 | 90 Ų | 90 | 15% | 0.15 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -67.6 | -30.2 | 176.8 | -71.3 | -66.3 | 0 | 0 | 0 | 111.5 | W412 T414 H436 S444 | W412-D440 PolarHBondContact NE1-OD2 3.34Å; T414-D440 WeakPolarHBondContact CG2-OD1 3.01Å; T414-D440 PolarHBondContact OG1-OD1 3.23Å; T414-D440 PolarHBondContact OG1-OD2 3.35Å; H436-D440 PolarHBondContact O-N 3Å; D440-S444 VanDerWaalsContact O-CB 3.31Å; D440-S444 WeakPolarHBondContact O-CB 3.35Å; D440-S444 PolarHBondContact O-N 3.42Å; D440-S444 PolarHBondContact O-OG 3.48Å |
| 441 | A | 71.3 | Confident | 69.5 | Low | 65 Ų | 65 | 93.2 Ų | 93.2 | 54% | 0.537 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A437 H439 S444 | A437-A441 WeakPolarHBondContact O-CB 3.41Å; A437-A441 PolarHBondContact O-N 3.34Å; H439-A441 VanDerWaalsContact C-N 3.28Å; H439-A441 PolarHBondContact O-N 3.21Å; A441-S444 PolarHBondContact O-N 2.74Å |
| 442 | L | 64.8 | Low | 67.5 | Low | 138 Ų | 138 | 94.5 Ų | 94.5 | 72% | 0.723 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -68.3 | -38.1 | 176.6 | -69.5 | 171.6 | 0 | 0 | 0 | 112.3 | T438 H439 S444 S445 | T438-L442 WeakPolarHBondContact O-CG 3.49Å; T438-L442 PolarHBondContact O-N 3.16Å; H439-L442 PolarHBondContact O-N 3.37Å; L442-S444 VanDerWaalsContact C-N 3.28Å; L442-S444 PolarHBondContact O-N 3.26Å; L442-S445 PolarHBondContact O-N 3.14Å |
| 443 | K | 65.6 | Low | 64.9 | Low | 141 Ų | 141 | 99.5 Ų | 99.5 | 61% | 0.613 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -71.7 | -21.1 | 179.4 | -166.1 | 176.4 | 177.2 | -169.2 | 0 | 113.3 | H439 S445 | H439-K443 WeakPolarHBondContact O-CB 3.29Å; H439-K443 PolarHBondContact O-N 3.46Å; K443-S445 VanDerWaalsContact C-N 3.35Å |
| 444 | S | 57.5 | Low | 62.1 | Low | 96 Ų | 96 | 100.3 Ų | 100.3 | 67% | 0.671 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -0.2 | 177.1 | -56.4 | 0 | 0 | 0 | 0 | 114.1 | D440 A441 L442 P446 | D440-S444 VanDerWaalsContact O-CB 3.31Å; D440-S444 WeakPolarHBondContact O-CB 3.35Å; D440-S444 PolarHBondContact O-N 3.42Å; D440-S444 PolarHBondContact O-OG 3.48Å; A441-S444 PolarHBondContact O-N 2.74Å; L442-S444 VanDerWaalsContact C-N 3.28Å; L442-S444 PolarHBondContact O-N 3.26Å; S444-P446 WeakPolarHBondContact O-CD 3.49Å |
| 445 | S | 45.6 | Very low | 59.8 | Low | 81 Ų | 81 | 99.6 Ų | 99.6 | 57% | 0.566 | 63% | 0.626 | S | S | * | * | | | trans | -108.4 | 101.2 | -178 | -165.9 | 0 | 0 | 0 | 0 | 111.8 | L442 K443 G447 | L442-S445 PolarHBondContact O-N 3.14Å; K443-S445 VanDerWaalsContact C-N 3.35Å; S445-G447 PolarHBondContact O-N 3.17Å |
| 446 | P | 47.3 | Very low | 57.3 | Low | 129 Ų | 129 | 103.8 Ų | 103.8 | 84% | 0.838 | 65% | 0.649 | S | S | * | * | | | trans | -77.8 | 103.5 | 178.4 | 30.6 | -33.6 | 0 | 0 | 0 | 111.5 | S444 | S444-P446 WeakPolarHBondContact O-CD 3.49Š|
| 447 | G | 43.4 | Very low | 55.2 | Low | 67 Ų | 67 | 107.4 Ų | 107.4 | 69% | 0.691 | 68% | 0.678 | S | S | * | * | | | trans | 88.9 | 83.8 | 158.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | S445 | S445-G447 PolarHBondContact O-N 3.17Š|
| 448 | S | 46.1 | Very low | 53.2 | Low | 117 Ų | 117 | 113 Ų | 113 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | | | trans | -151.4 | 71.9 | 157.2 | -80.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 449 | S | 42.2 | Very low | 50.9 | Low | 123 Ų | 123 | 112.6 Ų | 112.6 | 86% | 0.86 | 71% | 0.712 | S | S | * | * | | | trans | -87.6 | 98.3 | 166.5 | -70 | 0 | 0 | 0 | 0 | 110.2 | | |
| 450 | M | 49.8 | Very low | 49 | Very low | 172 Ų | 172 | 112.3 Ų | 112.3 | 85% | 0.847 | 73% | 0.729 | S | S | * | * | | | trans | -157.8 | 106.2 | 154.2 | -81.3 | -141.6 | -177.9 | 0 | 0 | 113.6 | | |
| 451 | L | 46.3 | Very low | 47.2 | Very low | 158 Ų | 158 | 116 Ų | 116 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | | | trans | 64.8 | 157 | 137.5 | -60.9 | 168 | 0 | 0 | 0 | 121.4 | | |
| 452 | V | 50.5 | Low | 45.8 | Very low | 142 Ų | 142 | 119.6 Ų | 119.6 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | | | trans | 67.3 | 127.9 | -179.3 | -176.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 453 | N | 40.6 | Very low | 44.5 | Very low | 127 Ų | 127 | 117.2 Ų | 117.2 | 68% | 0.679 | 79% | 0.787 | S | S | * | * | | | cis | -127.4 | 137 | 7.9 | -179 | 74.7 | 0 | 0 | 0 | 111.9 | S455 | N453-S455 PolarHBondContact ND2-OG 3.45Å; N453-S455 VanDerWaalsContact ND2-OG 3.16Å |
| 454 | G | 34.6 | Very low | 43.1 | Very low | 69 Ų | 69 | 114.4 Ų | 114.4 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | | | trans | -90 | 121.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 455 | S | 43.9 | Very low | 42.2 | Very low | 107 Ų | 107 | 117.1 Ų | 117.1 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | | | trans | -119.1 | 78.8 | 175.9 | -64.7 | 0 | 0 | 0 | 0 | 110.9 | N453 | N453-S455 PolarHBondContact ND2-OG 3.45Å; N453-S455 VanDerWaalsContact ND2-OG 3.16Å |
| 456 | T | 38.7 | Very low | 41.6 | Very low | 139 Ų | 139 | 117 Ų | 117 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | | | trans | -118.4 | 95.8 | -178.1 | -49.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 457 | S | 43.4 | Very low | 41.1 | Very low | 105 Ų | 105 | 115.1 Ų | 115.1 | 73% | 0.734 | 83% | 0.826 | S | S | * | * | | | trans | -161.3 | 120.8 | 168.9 | 43.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 458 | N | 43.5 | Very low | 40.7 | Very low | 174 Ų | 174 | 115.4 Ų | 115.4 | 93% | 0.93 | 83% | 0.829 | S | S | * | * | | | trans | 143.5 | 115.3 | 154.4 | -78 | -16 | 0 | 0 | 0 | 108.7 | | |
| 459 | G | 37.8 | Very low | 40.6 | Very low | 78 Ų | 78 | 115.4 Ų | 115.4 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | | | cis | 161.6 | 159.4 | -2.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 460 | A | 38.9 | Very low | 40.7 | Very low | 102 Ų | 102 | 115.6 Ų | 115.6 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | | | cis | -149.8 | 154.9 | -10.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 461 | A | 39.6 | Very low | 40.4 | Very low | 105 Ų | 105 | 112.3 Ų | 112.3 | 87% | 0.868 | 83% | 0.831 | S | S | * | * | | | trans | -80.8 | 157.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 462 | T | 42 | Very low | 40.3 | Very low | 142 Ų | 142 | 115.5 Ų | 115.5 | 87% | 0.871 | 83% | 0.832 | S | S | * | * | | | trans | -81.7 | 125.1 | -176.1 | 48.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 463 | G | 36.4 | Very low | 40 | Very low | 87 Ų | 87 | 115.3 Ų | 115.3 | 90% | 0.897 | 83% | 0.831 | S | S | * | * | | | trans | 78.9 | 143.2 | 157.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 464 | G | 36.4 | Very low | 40.1 | Very low | 82 Ų | 82 | 115.2 Ų | 115.2 | 85% | 0.845 | 83% | 0.829 | S | S | * | * | | | trans | 165 | 96.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 465 | V | 38.7 | Very low | 40.5 | Very low | 153 Ų | 153 | 117.2 Ų | 117.2 | 93% | 0.927 | 83% | 0.831 | S | S | * | * | | | trans | -73.2 | 134.8 | -176 | -77.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 466 | G | 34.5 | Very low | 40.3 | Very low | 78 Ų | 78 | 120.7 Ų | 120.7 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | | | | 79.5 | 107.3 | 129.8 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 467 | G | 35.9 | Very low | 40.3 | Very low | 90 Ų | 90 | 123.7 Ų | 123.7 | 93% | 0.928 | 83% | 0.831 | S | S | * | * | | | trans | 95.5 | 139.6 | 131.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 468 | G | 35.3 | Very low | 40.3 | Very low | 73 Ų | 73 | 124 Ų | 124 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | | | trans | 131.8 | 99.7 | 154.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 469 | S | 43.1 | Very low | 40.2 | Very low | 117 Ų | 117 | 119 Ų | 119 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | 62.1 | 84.5 | 136.4 | -54.2 | 0 | 0 | 0 | 0 | 122.4 | | |
| 470 | S | 44.7 | Very low | 40.3 | Very low | 127 Ų | 127 | 121.4 Ų | 121.4 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | | | | 41.7 | 111.4 | 118.4 | -55.9 | 0 | 0 | 0 | 0 | 122.8 | | |
| 471 | A | 43.6 | Very low | 40.3 | Very low | 103 Ų | 103 | 122.1 Ų | 122.1 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | | | | -150.7 | 154.2 | 129.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 472 | R | 43.8 | Very low | 40.2 | Very low | 226 Ų | 226 | 122.2 Ų | 122.2 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | | | trans | -110.3 | 171.2 | 173 | -49.7 | -151.5 | -126.9 | -145.2 | 7.5 | 109.9 | L474 | R472-L474 HydrophobicContact CB-CD1 4.47Š|
| 473 | V | 44.6 | Very low | 40.2 | Very low | 138 Ų | 138 | 118.4 Ų | 118.4 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | | | | -149.5 | 147 | 70.5 | 171.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 474 | L | 41.8 | Very low | 40.7 | Very low | 125 Ų | 125 | 119.1 Ų | 119.1 | 65% | 0.654 | 79% | 0.789 | S | S | * | * | | | trans | -36.4 | 160.7 | 163.8 | -70.2 | 63.5 | 0 | 0 | 0 | 114.8 | R472 | R472-L474 HydrophobicContact CB-CD1 4.47Š|
| 475 | C | 43 | Very low | 41.2 | Very low | 110 Ų | 110 | 122.1 Ų | 122.1 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | | | cis | -164.7 | -168.1 | -2.9 | -113.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 476 | Q | 40.5 | Very low | 41.5 | Very low | 180 Ų | 180 | 125 Ų | 125 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | | | cis | -150.6 | -166.2 | 6.3 | -143 | -179.9 | 44.5 | 0 | 0 | 110.1 | | |
| 477 | R | 38.6 | Very low | 42.4 | Very low | 203 Ų | 203 | 129.7 Ų | 129.7 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | | | trans | -159.8 | 141.5 | 174.2 | -178.3 | -174.6 | 155.2 | -178.4 | -3.4 | 110.2 | S479 | R477-S479 PolarHBondContact NE-OG 3.37Å; R477-S479 PolarHBondContact NH2-OG 2.97Å |
| 478 | P | 44.1 | Very low | 43.1 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | | | | -134.7 | 154.9 | 118 | 38.4 | -26.1 | 0 | 0 | 0 | 110.4 | | |
| 479 | S | 40.1 | Very low | 43.9 | Very low | 68 Ų | 68 | 133.9 Ų | 133.9 | 48% | 0.476 | 78% | 0.779 | S | S | . | * | | | cis | 65.4 | 131.9 | 47.1 | -55.6 | 0 | 0 | 0 | 0 | 111.7 | R477 | R477-S479 PolarHBondContact NE-OG 3.37Å; R477-S479 PolarHBondContact NH2-OG 2.97Å |
| 480 | T | 40.3 | Very low | 44.4 | Very low | 129 Ų | 129 | 136.7 Ų | 136.7 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | cis | -164.5 | 174.5 | 5.7 | 0.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 481 | S | 38.3 | Very low | 45.3 | Very low | 118 Ų | 118 | 141 Ų | 141 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | | | trans | 96.9 | 134.4 | 158.5 | 81.8 | 0 | 0 | 0 | 0 | 120.6 | | |
| 482 | A | 39.4 | Very low | 45.3 | Very low | 106 Ų | 106 | 145.6 Ų | 145.6 | 88% | 0.876 | 78% | 0.782 | S | S | * | * | | | trans | 31.3 | 116.5 | 156 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 483 | G | 40.6 | Very low | 46.3 | Very low | 63 Ų | 63 | 140.7 Ų | 140.7 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | | | trans | -169.1 | 42.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 484 | S | 46.6 | Very low | 46.9 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | | | trans | -67.2 | 159.9 | 169.5 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 485 | N | 46.9 | Very low | 47.2 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | trans | 99.2 | 15.8 | 166.9 | -46.9 | -16.2 | 0 | 0 | 0 | 118.2 | L487 | N485-L487 VanDerWaalsContact C-N 3.31Å; N485-L487 PolarHBondContact O-N 3.4Å |
| 486 | Y | 45.7 | Very low | 47.4 | Very low | 214 Ų | 214 | 144.3 Ų | 144.3 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | | | trans | -82.8 | 16.5 | 176.6 | -81.8 | -79 | 0 | 0 | 0 | 116.4 | | |
| 487 | L | 52.7 | Low | 47.8 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 93% | 0.927 | 78% | 0.778 | S | S | * | * | | | trans | -110.5 | 36.4 | -176.1 | -62.9 | -179.3 | 0 | 0 | 0 | 114.2 | N485 | N485-L487 VanDerWaalsContact C-N 3.31Å; N485-L487 PolarHBondContact O-N 3.4Å |
| 488 | N | 51 | Low | 48 | Very low | 142 Ų | 142 | 144.2 Ų | 144.2 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | | | trans | -138.9 | 45.1 | -177.7 | -160.6 | 11.9 | 0 | 0 | 0 | 114.3 | | |
| 489 | S | 51.5 | Low | 48.3 | Very low | 109 Ų | 109 | 147.3 Ų | 147.3 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | | | trans | -142.9 | 20.8 | -179.3 | -52.2 | 0 | 0 | 0 | 0 | 115.1 | | |
| 490 | L | 55.1 | Low | 49.3 | Very low | 175 Ų | 175 | 150.3 Ų | 150.3 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | | | trans | -110.4 | 11.8 | 179 | -77 | 168.5 | 0 | 0 | 0 | 114.5 | F492 | L490-F492 PolarHBondContact O-N 3.19Š|
| 491 | R | 63.2 | Low | 50.1 | Low | 217 Ų | 217 | 149.3 Ų | 149.3 | 82% | 0.819 | 80% | 0.804 | S | S | * | * | | | trans | -91.8 | 78 | 169.5 | -76.3 | -168.2 | 172 | -151.5 | -1.4 | 111.2 | H493 | R491-H493 PolarHBondContact O-N 3.43Š|
| 492 | F | 44 | Very low | 50.5 | Low | 200 Ų | 200 | 150.1 Ų | 150.1 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | | | trans | -68.4 | 112.2 | 168.4 | -113.8 | -96.7 | 0 | 0 | 0 | 110.1 | L490 | L490-F492 PolarHBondContact O-N 3.19Š|
| 493 | H | 63.2 | Low | 50.7 | Low | 124 Ų | 124 | 148.8 Ų | 148.8 | 57% | 0.574 | 80% | 0.803 | S | S | * | * | | | trans | -96.6 | 113.2 | 171.4 | -79.9 | -96 | 0 | 0 | 0 | 109.5 | R491 Y495 S496 | R491-H493 PolarHBondContact O-N 3.43Å; H493-Y495 PolarHBondContact O-N 3.18Å; H493-S496 PolarHBondContact O-N 3.08Å |
| 494 | P | 58.1 | Low | 51.1 | Low | 119 Ų | 119 | 150.5 Ų | 150.5 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | 16.6 | -168.4 | 29.9 | -36.5 | 0 | 0 | 0 | 115.9 | | |
| 495 | Y | 47.4 | Very low | 51.1 | Low | 220 Ų | 220 | 150.7 Ų | 150.7 | 86% | 0.863 | 81% | 0.813 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.6 | -0.6 | -179.3 | -86.6 | -80.5 | 0 | 0 | 0 | 115.1 | H493 K497 | H493-Y495 PolarHBondContact O-N 3.18Å; Y495-K497 VanDerWaalsContact C-N 3.27Å; Y495-K497 PolarHBondContact O-N 3.02Å |
| 496 | S | 48.5 | Very low | 51.1 | Low | 110 Ų | 110 | 150 Ų | 150 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | | | trans | -80.9 | 65.2 | -177.6 | -62.2 | 0 | 0 | 0 | 0 | 113 | H493 | H493-S496 PolarHBondContact O-N 3.08Š|
| 497 | K | 48 | Very low | 51 | Low | 201 Ų | 201 | 144.9 Ų | 144.9 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | | | trans | -121.9 | 68.1 | 178.4 | -139 | -172 | -167.2 | -172.4 | 0 | 112.7 | Y495 | Y495-K497 VanDerWaalsContact C-N 3.27Å; Y495-K497 PolarHBondContact O-N 3.02Å |
| 498 | M | 43.6 | Very low | 50.6 | Low | 180 Ų | 180 | 141.7 Ų | 141.7 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | | | trans | -164.1 | 86.1 | 154.2 | -87.9 | -133 | -70.5 | 0 | 0 | 111.1 | | |
| 499 | L | 50.6 | Low | 50.2 | Low | 175 Ų | 175 | 138.5 Ų | 138.5 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | | | trans | -167.4 | 152.5 | 134.5 | -127 | 65.5 | 0 | 0 | 0 | 110.2 | | |
| 500 | V | 59.6 | Low | 49.8 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 80% | 0.8 | 81% | 0.813 | S | S | * | * | | | trans | -91.6 | 140.4 | -174.2 | 175.4 | 0 | 0 | 0 | 0 | 110 | | |
| 501 | P | 57.2 | Low | 49.5 | Very low | 108 Ų | 108 | 140.9 Ų | 140.9 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | | | trans | -68.8 | 151.2 | 177.4 | 28.8 | -35.9 | 0 | 0 | 0 | 112.5 | G503 | P501-G503 PolarHBondContact O-N 3.4Š|
| 502 | P | 46.6 | Very low | 48.9 | Very low | 135 Ų | 135 | 136.3 Ų | 136.3 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | | | trans | -75.1 | 114.7 | -173.5 | 29.2 | -34.4 | 0 | 0 | 0 | 112.7 | | |
| 503 | G | 45.6 | Very low | 49.4 | Very low | 77 Ų | 77 | 133.2 Ų | 133.2 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | | | trans | -86.1 | 151.9 | 163 | 0 | 0 | 0 | 0 | 0 | 111.6 | P501 | P501-G503 PolarHBondContact O-N 3.4Š|
| 504 | A | 47.8 | Very low | 48.8 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | | | trans | -86.1 | -171.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 505 | S | 47.5 | Very low | 48.8 | Very low | 106 Ų | 106 | 135 Ų | 135 | 74% | 0.741 | 82% | 0.819 | S | S | * | * | | | trans | 88.4 | 94.1 | 169.7 | 67.7 | 0 | 0 | 0 | 0 | 119.5 | | |
| 506 | T | 45.7 | Very low | 49.3 | Very low | 128 Ų | 128 | 129.3 Ų | 129.3 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | | | | 59.6 | 133.6 | 124.7 | 54 | 0 | 0 | 0 | 0 | 123.7 | | |
| 507 | S | 44.3 | Very low | 49.3 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | | | trans | 61.7 | 94.3 | 142.9 | 58.4 | 0 | 0 | 0 | 0 | 120.5 | | |
| 508 | A | 45.1 | Very low | 49.4 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | | | | 33 | 124.8 | 120.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 509 | G | 42.2 | Very low | 50 | Low | 76 Ų | 76 | 125 Ų | 125 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | | | trans | 159.7 | 116.5 | 154.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 510 | A | 43.4 | Very low | 49.9 | Very low | 102 Ų | 102 | 124.4 Ų | 124.4 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | | | trans | 37.9 | 122.9 | 154.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 511 | Y | 47.6 | Very low | 49.3 | Very low | 232 Ų | 232 | 123.8 Ų | 123.8 | 91% | 0.91 | 80% | 0.796 | S | S | * | * | | | trans | -64.6 | 153 | 150.1 | -66.1 | -90.1 | 0 | 0 | 0 | 110.6 | | |
| 512 | P | 51.5 | Low | 48.7 | Very low | 121 Ų | 121 | 121.1 Ų | 121.1 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | | | | -147.4 | 172.9 | 97.2 | 37.9 | -21.1 | 0 | 0 | 0 | 116.6 | | |
| 513 | T | 53.4 | Low | 48.8 | Very low | 134 Ų | 134 | 124.6 Ų | 124.6 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | | | trans | -77.5 | 151 | 174.8 | 51.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 514 | P | 51.4 | Low | 48.6 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | | | | -151.4 | -172.3 | 113.2 | 37.3 | -19.6 | 0 | 0 | 0 | 113.6 | | |
| 515 | M | 57.3 | Low | 48.5 | Very low | 165 Ų | 165 | 127.8 Ų | 127.8 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | | | cis | -160.2 | 156.4 | -43.8 | -94 | -66.3 | -78.5 | 0 | 0 | 108.3 | | |
| 516 | P | 58.3 | Low | 48.3 | Very low | 99 Ų | 99 | 131 Ų | 131 | 64% | 0.643 | 79% | 0.787 | S | S | * | * | | | trans | -109.7 | 153 | -170.7 | 39.6 | -32.9 | 0 | 0 | 0 | 117.3 | | |
| 517 | F | 48.1 | Very low | 48.1 | Very low | 216 Ų | 216 | 129.1 Ų | 129.1 | 95% | 0.947 | 79% | 0.785 | S | S | * | * | | | trans | -153.7 | 160.7 | 163.8 | -74.2 | -87.7 | 0 | 0 | 0 | 107.9 | | |
| 518 | G | 51.3 | Low | 47.8 | Very low | 66 Ų | 66 | 129.5 Ų | 129.5 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | | | cis | -165.8 | 173.8 | 1.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 519 | P | 56.2 | Low | 47.8 | Very low | 118 Ų | 118 | 129.2 Ų | 129.2 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | | | trans | -136.3 | -179.3 | -134.3 | 45 | -31.3 | 0 | 0 | 0 | 119.1 | | |
| 520 | L | 47.8 | Very low | 47.8 | Very low | 164 Ų | 164 | 133.5 Ų | 133.5 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | | | trans | 73.3 | 146.6 | 165.1 | -58.8 | 168.1 | 0 | 0 | 0 | 116.9 | | |
| 521 | T | 46.3 | Very low | 47.9 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | | | cis | -117.8 | -176.6 | 1.4 | 51.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 522 | G | 44.2 | Very low | 47.8 | Very low | 53 Ų | 53 | 131.3 Ų | 131.3 | 55% | 0.546 | 78% | 0.779 | S | S | . | * | | | cis | 130.3 | 140 | -8.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 523 | Y | 50.1 | Low | 47.3 | Very low | 207 Ų | 207 | 128.9 Ų | 128.9 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | | | trans | 59.4 | 145.4 | 174.7 | 65.6 | -104.8 | 0 | 0 | 0 | 118.2 | | |
| 524 | D | 41.6 | Very low | 46.9 | Very low | 136 Ų | 136 | 130.9 Ų | 130.9 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | cis | -150.8 | 170 | 0.5 | -147.4 | -85.4 | 0 | 0 | 0 | 113.6 | | |
| 525 | S | 46 | Very low | 46.6 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | | | trans | 71.1 | 139.3 | 152.9 | -77.8 | 0 | 0 | 0 | 0 | 122.4 | | |
| 526 | L | 41.6 | Very low | 46.2 | Very low | 175 Ų | 175 | 133 Ų | 133 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | | | trans | -107.8 | 179.1 | 179.8 | -72.5 | 160.1 | 0 | 0 | 0 | 110.9 | | |
| 527 | A | 42.4 | Very low | 45.9 | Very low | 88 Ų | 88 | 134 Ų | 134 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | trans | 92.6 | 110.4 | 151.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 528 | S | 38.7 | Very low | 46.1 | Very low | 115 Ų | 115 | 127 Ų | 127 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | trans | 84.5 | 160.1 | 131 | -59.2 | 0 | 0 | 0 | 0 | 121.4 | | |
| 529 | S | 44.5 | Very low | 46.4 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | trans | 80.5 | 81.9 | 157.5 | -56.3 | 0 | 0 | 0 | 0 | 119.7 | | |
| 530 | I | 42.6 | Very low | 46.1 | Very low | 165 Ų | 165 | 131.4 Ų | 131.4 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | | | | 11.5 | 110.4 | 126.7 | -51.8 | 162.8 | 0 | 0 | 0 | 116.5 | | |
| 531 | C | 45.5 | Very low | 46.9 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | | | trans | -136.2 | 134.6 | 155.1 | -71.3 | 0 | 0 | 0 | 0 | 106.8 | | |
| 532 | L | 44.2 | Very low | 47 | Very low | 169 Ų | 169 | 131.7 Ų | 131.7 | 89% | 0.885 | 77% | 0.774 | S | S | * | * | | | cis | 75 | 119.1 | 20.7 | -144.5 | 94.2 | 0 | 0 | 0 | 115.2 | | |
| 533 | G | 41.6 | Very low | 48.3 | Very low | 70 Ų | 70 | 137.8 Ų | 137.8 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | | | trans | 86.4 | 139.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 534 | Q | 46.2 | Very low | 48.2 | Very low | 176 Ų | 176 | 134.3 Ų | 134.3 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | | | cis | 104.3 | 103.4 | 27.1 | -79.1 | -95.5 | 14.4 | 0 | 0 | 114.2 | | |
| 535 | R | 45.1 | Very low | 48.6 | Very low | 201 Ų | 201 | 134.2 Ų | 134.2 | 76% | 0.758 | 81% | 0.807 | S | S | * | * | | | | 89.3 | 156.5 | 129.8 | -138.2 | -169.9 | 167.2 | -127.4 | -8.1 | 120.9 | | |
| 536 | L | 48.5 | Very low | 48.7 | Very low | 126 Ų | 126 | 135.7 Ų | 135.7 | 66% | 0.66 | 81% | 0.81 | S | S | * | * | | | trans | 79.4 | 160 | 159.6 | -70.1 | 165.1 | 0 | 0 | 0 | 118 | | |
| 537 | P | 51.7 | Low | 49.1 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | | | cis | -130.2 | 160.6 | 1 | 37.9 | -21.6 | 0 | 0 | 0 | 117.9 | | |
| 538 | G | 52.7 | Low | 49.5 | Very low | 68 Ų | 68 | 136.2 Ų | 136.2 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | | | trans | 75.4 | 166.2 | 152.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 539 | S | 57.9 | Low | 50.3 | Low | 125 Ų | 125 | 137.6 Ų | 137.6 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | cis | -161.7 | 157.6 | -23.1 | -102.6 | 0 | 0 | 0 | 0 | 111 | | |
| 540 | L | 48.7 | Very low | 50.7 | Low | 152 Ų | 152 | 140 Ų | 140 | 80% | 0.796 | 81% | 0.814 | S | S | * | * | | | trans | -65.9 | 153.9 | 173.7 | -101.3 | 141.4 | 0 | 0 | 0 | 111.9 | Q542 | L540-Q542 HydrophobicContact CD2-CB 4.41Š|
| 541 | P | 64.6 | Low | 51.3 | Low | 126 Ų | 126 | 138.1 Ų | 138.1 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | | -139.4 | 173.4 | 71.4 | 39.5 | -23.2 | 0 | 0 | 0 | 116.9 | | |
| 542 | Q | 49.4 | Very low | 51.8 | Low | 162 Ų | 162 | 139.6 Ų | 139.6 | 76% | 0.757 | 81% | 0.812 | S | S | * | * | | | trans | -110.9 | 154.7 | 173.1 | -167.3 | -159.8 | -67.2 | 0 | 0 | 108.7 | L540 | L540-Q542 HydrophobicContact CD2-CB 4.41Š|
| 543 | P | 70.8 | Confident | 52.5 | Low | 180 Ų | 180 | 136.9 Ų | 136.9 | 100% | 1.169 | 81% | 0.805 | S | S | * | * | | | trans | -67.7 | 0 | 157.8 | 30.9 | -37.4 | 0 | 0 | 0 | 112.9 | | |