| 1 | M | 35.9 | Very low | 33.7 | Very low | 235 Ų | 235 | 148.9 Ų | 148.9 | 100% | 1.158 | 79% | 0.794 | S | S | * | * | | | | 0 | 112.6 | 0 | -62.4 | 164.5 | -173.8 | 0 | 0 | 105.3 | | |
| 2 | A | 32.1 | Very low | 33.2 | Very low | 86 Ų | 86 | 144.2 Ų | 144.2 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | | | | 67.3 | 133.7 | 55.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 3 | E | 34.7 | Very low | 33.2 | Very low | 167 Ų | 167 | 146.8 Ų | 146.8 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | | | cis | -173.2 | -173.1 | -16.2 | -130.2 | 164.2 | -134.4 | 0 | 0 | 107.7 | | |
| 4 | N | 33.8 | Very low | 33.5 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | | | trans | 68.3 | 120.5 | 177.1 | -64.1 | -76.3 | 0 | 0 | 0 | 115.3 | | |
| 5 | I | 38.8 | Very low | 33.7 | Very low | 136 Ų | 136 | 144.3 Ų | 144.3 | 70% | 0.697 | 79% | 0.785 | S | S | * | * | | | cis | 73.5 | 111.4 | 39.8 | -50.6 | 159.8 | 0 | 0 | 0 | 112.6 | | |
| 6 | T | 32.1 | Very low | 34 | Very low | 135 Ų | 135 | 142.9 Ų | 142.9 | 83% | 0.828 | 78% | 0.782 | S | S | * | * | | | | -163.6 | 150.9 | 122.6 | -74.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 7 | T | 34.7 | Very low | 34.3 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | | | trans | -92.5 | 162.7 | -169.4 | 50.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 8 | K | 33.7 | Very low | 34.5 | Very low | 212 Ų | 212 | 147.1 Ų | 147.1 | 92% | 0.922 | 79% | 0.788 | S | S | * | * | | | trans | -154.9 | 143.4 | 138.4 | -114.5 | 164.5 | -174.4 | 174.9 | 0 | 112 | | |
| 9 | T | 35.3 | Very low | 34.6 | Very low | 123 Ų | 123 | 150.1 Ų | 150.1 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | | | trans | -116.8 | 178 | -178.6 | -49.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 10 | E | 27.4 | Very low | 34.9 | Very low | 159 Ų | 159 | 149.1 Ų | 149.1 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | | | trans | 96.5 | 145.7 | 177.2 | -57.8 | -82.9 | 98.2 | 0 | 0 | 115 | | |
| 11 | L | 31.6 | Very low | 34.9 | Very low | 138 Ų | 138 | 148 Ų | 148 | 72% | 0.723 | 79% | 0.794 | S | S | * | * | | | cis | -155.6 | 175.7 | -36.4 | -164 | 50.6 | 0 | 0 | 0 | 108.3 | | |
| 12 | C | 28.6 | Very low | 35 | Very low | 92 Ų | 92 | 145 Ų | 145 | 62% | 0.622 | 78% | 0.778 | S | S | * | * | | | trans | -84.3 | 170.2 | -161.5 | -64.3 | 0 | 0 | 0 | 0 | 118.2 | | |
| 13 | H | 32.8 | Very low | 35.5 | Very low | 179 Ų | 179 | 150.4 Ų | 150.4 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | | | trans | 110.7 | 155.8 | 148 | -55.1 | -61.3 | 0 | 0 | 0 | 117.9 | | |
| 14 | P | 37.8 | Very low | 35.7 | Very low | 111 Ų | 111 | 148.1 Ų | 148.1 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | | | | -132.6 | 144.9 | -52.3 | 36.7 | -22.7 | 0 | 0 | 0 | 113.1 | | |
| 15 | V | 36 | Very low | 36.3 | Very low | 144 Ų | 144 | 148.5 Ų | 148.5 | 87% | 0.873 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 121.5 | 176.7 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 16 | V | 38.4 | Very low | 36.6 | Very low | 123 Ų | 123 | 152.7 Ų | 152.7 | 75% | 0.745 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 126.2 | 177.9 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | R18 | V16-R18 PolarHBondContact O-N 3.37Š|
| 17 | P | 39.1 | Very low | 37.3 | Very low | 113 Ų | 113 | 152.7 Ų | 152.7 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 127 | 172.3 | -21.4 | 33.6 | 0 | 0 | 0 | 111.8 | K19 | P17-K19 PolarHBondContact O-N 2.92Š|
| 18 | R | 38.9 | Very low | 37.7 | Very low | 247 Ų | 247 | 149.8 Ų | 149.8 | 93% | 0.932 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 119 | 171.7 | -75.4 | -176.1 | 171.4 | -175.6 | -3.1 | 109.7 | V16 V20 | V16-R18 PolarHBondContact O-N 3.37Å; R18-V20 PolarHBondContact O-N 3.37Å |
| 19 | K | 35.7 | Very low | 38.4 | Very low | 205 Ų | 205 | 143.5 Ų | 143.5 | 89% | 0.891 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 128.4 | 173.5 | -70 | -179.4 | 177.2 | 178.8 | 0 | 110.2 | P17 | P17-K19 PolarHBondContact O-N 2.92Š|
| 20 | V | 39.6 | Very low | 39 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 78% | 0.782 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 136.9 | 163.4 | -179.5 | 0 | 0 | 0 | 0 | 108.2 | R18 Q22 | R18-V20 PolarHBondContact O-N 3.37Å; V20-Q22 PolarHBondContact O-N 3.33Å |
| 21 | P | 34.8 | Very low | 39.9 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 121.4 | 177.5 | -24.4 | 35.2 | 0 | 0 | 0 | 112.1 | | |
| 22 | Q | 38.7 | Very low | 41.1 | Very low | 173 Ų | 173 | 136.1 Ų | 136.1 | 81% | 0.808 | 73% | 0.725 | S | S | * | * | | | trans | -94 | 112.2 | -179.7 | 174.4 | -178.8 | -22.1 | 0 | 0 | 110.4 | V20 | V20-Q22 PolarHBondContact O-N 3.33Š|
| 23 | R | 43.1 | Very low | 42.3 | Very low | 199 Ų | 199 | 139.9 Ų | 139.9 | 75% | 0.751 | 73% | 0.731 | S | S | * | * | | | trans | 47.7 | 134 | 164.5 | -73.9 | -175 | 169.2 | 125.4 | -1.9 | 118.7 | | |
| 24 | S | 37.8 | Very low | 43.1 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | | | trans | -140.9 | 49.4 | 154.9 | -76.1 | 0 | 0 | 0 | 0 | 111.6 | R26 | S24-R26 PolarHBondContact O-N 3.24Š|
| 25 | D | 47.8 | Very low | 43.2 | Very low | 137 Ų | 137 | 141.5 Ų | 141.5 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | | | trans | -71 | 63.3 | 165.9 | -57.4 | -59.6 | 0 | 0 | 0 | 110.7 | | |
| 26 | R | 45.3 | Very low | 44 | Very low | 225 Ų | 225 | 144.8 Ų | 144.8 | 85% | 0.849 | 73% | 0.728 | S | S | * | * | | | trans | -140 | 80.1 | 169.1 | -76.2 | -163.9 | 171.4 | -152.8 | -3.2 | 108.9 | S24 S28 | S24-R26 PolarHBondContact O-N 3.24Å; R26-S28 PolarHBondContact O-N 3.31Å; R26-S28 VanDerWaalsContact O-N 3.11Å |
| 27 | L | 47.2 | Very low | 44.7 | Very low | 134 Ų | 134 | 142.5 Ų | 142.5 | 70% | 0.702 | 72% | 0.717 | S | S | * | * | | | trans | -51.6 | 118.8 | 158.1 | -66.3 | 178.5 | 0 | 0 | 0 | 107.6 | | |
| 28 | S | 41.8 | Very low | 46.3 | Very low | 56 Ų | 56 | 145.8 Ų | 145.8 | 39% | 0.392 | 72% | 0.72 | S | S | . | * | | | trans | -68.4 | 144 | -169.5 | 67.7 | 0 | 0 | 0 | 0 | 110.6 | R26 G30 Q31 | R26-S28 PolarHBondContact O-N 3.31Å; R26-S28 VanDerWaalsContact O-N 3.11Å; S28-G30 PolarHBondContact O-N 3.06Å; S28-Q31 PolarHBondContact O-N 3.5Å; S28-Q31 WeakPolarHBondContact OG-CG 3.48Å; S28-Q31 PolarHBondContact OG-OE1 3.28Å |
| 29 | A | 48.2 | Very low | 48.4 | Very low | 80 Ų | 80 | 138.9 Ų | 138.9 | 66% | 0.661 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -4.8 | -180 | 0 | 0 | 0 | 0 | 0 | 114.3 | K33 | A29-K33 WeakPolarHBondContact O-CE 3.35Š|
| 30 | G | 47.6 | Very low | 50.6 | Low | 45 Ų | 45 | 131.7 Ų | 131.7 | 46% | 0.464 | 67% | 0.671 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.2 | -32.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S28 K33 | S28-G30 PolarHBondContact O-N 3.06Å; G30-K33 PolarHBondContact O-N 3.32Å |
| 31 | Q | 47.8 | Very low | 52.7 | Low | 119 Ų | 119 | 129 Ų | 129 | 56% | 0.556 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -70.5 | -36.3 | -178 | -78.1 | 165.3 | -73.8 | 0 | 0 | 112.4 | S28 K33 | S28-Q31 PolarHBondContact O-N 3.5Å; S28-Q31 WeakPolarHBondContact OG-CG 3.48Å; S28-Q31 PolarHBondContact OG-OE1 3.28Å; Q31-K33 PolarHBondContact O-N 3.25Å |
| 32 | I | 55.3 | Low | 55.1 | Low | 101 Ų | 101 | 127.6 Ų | 127.6 | 52% | 0.518 | 64% | 0.638 | S | S | . | * | G | 310 helix | trans | -62.7 | -17.6 | -178.8 | -59.1 | 168 | 0 | 0 | 0 | 112.2 | | |
| 33 | K | 53.8 | Low | 57.2 | Low | 172 Ų | 172 | 121.4 Ų | 121.4 | 75% | 0.748 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -90.7 | 1.9 | -170.6 | -62.6 | -169.5 | 178.4 | -170.8 | 0 | 116.2 | A29 G30 Q31 | A29-K33 WeakPolarHBondContact O-CE 3.35Å; G30-K33 PolarHBondContact O-N 3.32Å; Q31-K33 PolarHBondContact O-N 3.25Å |
| 34 | R | 50.9 | Low | 59.1 | Low | 228 Ų | 228 | 114.3 Ų | 114.3 | 86% | 0.86 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.5 | -9.3 | -176.2 | -70.6 | -165 | 177.6 | 101.1 | -3.3 | 116.9 | | |
| 35 | T | 39 | Very low | 61.2 | Low | 96 Ų | 96 | 115.7 Ų | 115.7 | 59% | 0.589 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -95.6 | 142.1 | 170.5 | 41.4 | 0 | 0 | 0 | 0 | 110.5 | C37 | T35-C37 PolarHBondContact O-N 2.61Å; T35-C37 PolarHBondContact O-SG 3.1Å; T35-C37 VanDerWaalsContact O-SG 3.4Å; T35-C37 PolarHBondContact OG1-SG 3.02Å |
| 36 | K | 52.6 | Low | 63 | Low | 212 Ų | 212 | 109.3 Ų | 109.3 | 92% | 0.922 | 56% | 0.556 | S | S | * | * | | | trans | -71.8 | 77.3 | 167.5 | -173.3 | 175.7 | -178.6 | 176.4 | 0 | 108.4 | K38 | K36-K38 PolarHBondContact O-N 3.47Š|
| 37 | C | 53.5 | Low | 65 | Low | 75 Ų | 75 | 104.5 Ų | 104.5 | 51% | 0.507 | 55% | 0.545 | S | S | . | . | | | trans | -62.7 | 94.2 | -172.7 | -65.8 | 0 | 0 | 0 | 0 | 111.2 | T35 I39 | T35-C37 PolarHBondContact O-N 2.61Å; T35-C37 PolarHBondContact O-SG 3.1Å; T35-C37 VanDerWaalsContact O-SG 3.4Å; T35-C37 PolarHBondContact OG1-SG 3.02Å; C37-I39 PolarHBondContact O-N 3.02Å |
| 38 | K | 73.2 | Confident | 66.9 | Low | 183 Ų | 183 | 99.5 Ų | 99.5 | 80% | 0.796 | 52% | 0.519 | S | S | * | . | | | trans | -60.3 | 103 | 157.2 | -176 | -164.6 | 177.2 | -160.3 | 0 | 106.1 | K36 D40 | K36-K38 PolarHBondContact O-N 3.47Å; K38-D40 PolarHBondContact O-N 3.38Å |
| 39 | I | 82 | Confident | 69.1 | Low | 101 Ų | 101 | 97.8 Ų | 97.8 | 52% | 0.518 | 51% | 0.506 | S | S | . | . | | | trans | -65.1 | 127 | 173.2 | -60.4 | 174.8 | 0 | 0 | 0 | 106.7 | C37 L48 | C37-I39 PolarHBondContact O-N 3.02Å; I39-L48 HydrophobicContact CG2-CD1 3.81Å; I39-L48 HydrophobicContact CG2-CD2 4.32Å; I39-L48 HydrophobicContact CG2-CG 3.9Å |
| 40 | D | 82.4 | Confident | 71 | Confident | 54 Ų | 54 | 101.2 Ų | 101.2 | 29% | 0.289 | 51% | 0.514 | S | S | . | . | | | trans | -71.8 | 139 | 173.6 | -158.1 | -37.5 | 0 | 0 | 0 | 109.7 | K38 E42 T43 S46 | K38-D40 PolarHBondContact O-N 3.38Å; D40-E42 PolarHBondContact OD1-N 2.97Å; D40-T43 VanDerWaalsContact CG-OG1 3.3Å; D40-T43 PolarHBondContact OD1-N 3.09Å; D40-T43 PolarHBondContact OD1-OG1 3.31Å; D40-T43 WeakPolarHBondContact OD2-CB 3.5Å; D40-T43 PolarHBondContact OD2-OG1 3.36Å; D40-S46 VanDerWaalsContact O-CB 3.26Å; D40-S46 WeakPolarHBondContact O-CB 3.38Å; D40-S46 PolarHBondContact O-OG 3.36Å |
| 41 | V | 84.9 | Confident | 73.1 | Confident | 73 Ų | 73 | 100.7 Ų | 100.7 | 44% | 0.442 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -132.6 | 8.2 | 179.4 | -60 | 0 | 0 | 0 | 0 | 111.9 | L48 W109 | V41-L48 HydrophobicContact CG1-CD1 4Å; V41-W109 HydrophobicContact CB-CZ2 4.46Å |
| 42 | E | 84 | Confident | 75.1 | Confident | 98 Ų | 98 | 100.3 Ų | 100.3 | 46% | 0.458 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -122.1 | -34.4 | -174.8 | -64.7 | 171.2 | 172.2 | 0 | 0 | 111.2 | D40 T119 | D40-E42 PolarHBondContact OD1-N 2.97Å; E42-T119 PolarHBondContact O-N 2.93Å |
| 43 | T | 82.9 | Confident | 76.7 | Confident | 43 Ų | 43 | 96.1 Ų | 96.1 | 26% | 0.264 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -95.4 | 141.7 | -177.5 | -42.2 | 0 | 0 | 0 | 0 | 112.3 | D40 D45 S46 | D40-T43 VanDerWaalsContact CG-OG1 3.3Å; D40-T43 PolarHBondContact OD1-N 3.09Å; D40-T43 PolarHBondContact OD1-OG1 3.31Å; D40-T43 WeakPolarHBondContact OD2-CB 3.5Å; D40-T43 PolarHBondContact OD2-OG1 3.36Å; T43-D45 HydrophobicContact CG2-CB 4.05Å; T43-D45 PolarHBondContact O-N 3.17Å; T43-D45 VanDerWaalsContact O-N 3.16Å; T43-S46 VanDerWaalsContact O-CB 3.24Å; T43-S46 WeakPolarHBondContact O-CB 3.46Å; T43-S46 PolarHBondContact O-N 2.87Å |
| 44 | P | 82.6 | Confident | 78.4 | Confident | 50 Ų | 50 | 93.9 Ų | 93.9 | 33% | 0.325 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -17.3 | 173.7 | 24.7 | -35.5 | 0 | 0 | 0 | 114.7 | S46 L113 A114 | P44-S46 PolarHBondContact O-N 2.95Å; P44-L113 WeakPolarHBondContact CA-O 3.46Å; P44-L113 VanDerWaalsContact CB-O 3.31Å; P44-L113 WeakPolarHBondContact CB-O 3.3Å; P44-A114 WeakPolarHBondContact CB-O 3.38Å |
| 45 | D | 82.7 | Confident | 80.2 | Confident | 147 Ų | 147 | 86.1 Ų | 86.1 | 79% | 0.786 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -2.8 | 170.9 | -64.4 | -40.5 | 0 | 0 | 0 | 113.1 | T43 I47 | T43-D45 HydrophobicContact CG2-CB 4.05Å; T43-D45 PolarHBondContact O-N 3.17Å; T43-D45 VanDerWaalsContact O-N 3.16Å; D45-I47 PolarHBondContact O-N 3.44Å |
| 46 | S | 86 | Confident | 82.7 | Confident | 4 Ų | 4 | 86.2 Ų | 86.2 | 3% | 0.028 | 45% | 0.449 | C | S | . | . | | | trans | -58.8 | 130.7 | 174.5 | -179.5 | 0 | 0 | 0 | 0 | 112.1 | D40 T43 P44 L48 V49 | D40-S46 VanDerWaalsContact O-CB 3.26Å; D40-S46 WeakPolarHBondContact O-CB 3.38Å; D40-S46 PolarHBondContact O-OG 3.36Å; T43-S46 VanDerWaalsContact O-CB 3.24Å; T43-S46 WeakPolarHBondContact O-CB 3.46Å; T43-S46 PolarHBondContact O-N 2.87Å; P44-S46 PolarHBondContact O-N 2.95Å; S46-L48 PolarHBondContact O-N 3.31Å; S46-L48 WeakPolarHBondContact OG-CB 3.42Å; S46-L48 PolarHBondContact OG-N 3.35Å; S46-L48 VanDerWaalsContact OG-N 3.15Å; S46-V49 WeakPolarHBondContact O-CB 3.29Å; S46-V49 PolarHBondContact O-N 3.11Å; S46-V49 VanDerWaalsContact O-N 3.12Å |
| 47 | I | 86.6 | Confident | 84.5 | Confident | 123 Ų | 123 | 79.5 Ų | 79.5 | 63% | 0.631 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -50.2 | -32.2 | 170.6 | -61.9 | 171.2 | 0 | 0 | 0 | 111.1 | D45 V49 N50 T51 | D45-I47 PolarHBondContact O-N 3.44Å; I47-V49 VanDerWaalsContact C-N 3.27Å; I47-V49 PolarHBondContact O-N 3.05Å; I47-N50 PolarHBondContact O-N 3.11Å; I47-T51 HydrophobicContact CG2-CG2 4.42Å |
| 48 | L | 86.8 | Confident | 86.3 | Confident | 29 Ų | 29 | 78.3 Ų | 78.3 | 15% | 0.152 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -62.7 | -29.2 | -176 | -59.9 | 178.3 | 0 | 0 | 0 | 113.5 | I39 V41 S46 N50 T51 L53 W109 L113 | I39-L48 HydrophobicContact CG2-CD1 3.81Å; I39-L48 HydrophobicContact CG2-CD2 4.32Å; I39-L48 HydrophobicContact CG2-CG 3.9Å; V41-L48 HydrophobicContact CG1-CD1 4Å; S46-L48 PolarHBondContact O-N 3.31Å; S46-L48 WeakPolarHBondContact OG-CB 3.42Å; S46-L48 PolarHBondContact OG-N 3.35Å; S46-L48 VanDerWaalsContact OG-N 3.15Å; L48-N50 PolarHBondContact O-N 3.45Å; L48-N50 VanDerWaalsContact O-N 3.14Å; L48-T51 WeakPolarHBondContact CA-OG1 3.16Å; L48-T51 PolarHBondContact O-N 2.97Å; L48-T51 PolarHBondContact O-OG1 2.95Å; L48-L53 HydrophobicContact CD2-CD2 4.39Å; L48-W109 HydrophobicContact CB-CH2 4.37Å; L48-W109 HydrophobicContact CB-CZ3 4.25Å; L48-W109 HydrophobicContact CD1-CH2 3.8Å; L48-W109 HydrophobicContact CD1-CZ3 4.33Å; L48-L113 HydrophobicContact CB-CD2 4.15Å |
| 49 | V | 88.4 | Confident | 87.1 | Confident | 20 Ų | 20 | 75.5 Ų | 75.5 | 12% | 0.121 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -53.3 | -35.5 | 176.2 | 168.4 | 0 | 0 | 0 | 0 | 112.1 | S46 I47 K110 L113 A114 | S46-V49 WeakPolarHBondContact O-CB 3.29Å; S46-V49 PolarHBondContact O-N 3.11Å; S46-V49 VanDerWaalsContact O-N 3.12Å; I47-V49 VanDerWaalsContact C-N 3.27Å; I47-V49 PolarHBondContact O-N 3.05Å; V49-K110 WeakPolarHBondContact O-CD 3.35Å; V49-K110 WeakPolarHBondContact O-CE 3.39Å; V49-K110 WeakPolarHBondContact O-CG 3.47Å; V49-L113 HydrophobicContact CG2-CB 4.15Å; V49-L113 HydrophobicContact CG2-CD2 3.83Å; V49-L113 HydrophobicContact CG2-CG 3.66Å; V49-A114 HydrophobicContact CG1-CB 3.59Å; V49-A114 HydrophobicContact CG2-CB 4.19Å |
| 50 | N | 87.9 | Confident | 87.5 | Confident | 152 Ų | 152 | 77.3 Ų | 77.3 | 81% | 0.813 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -100 | 11.6 | -178.9 | -68.5 | -60.9 | 0 | 0 | 0 | 113.6 | I47 L48 | I47-N50 PolarHBondContact O-N 3.11Å; L48-N50 PolarHBondContact O-N 3.45Å; L48-N50 VanDerWaalsContact O-N 3.14Å |
| 51 | T | 91.3 | Very high | 88 | Confident | 35 Ų | 35 | 77.5 Ų | 77.5 | 22% | 0.215 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -98.2 | 155.2 | 178.8 | 64.5 | 0 | 0 | 0 | 0 | 113.5 | I47 L48 L53 K110 | I47-T51 HydrophobicContact CG2-CG2 4.42Å; L48-T51 WeakPolarHBondContact CA-OG1 3.16Å; L48-T51 PolarHBondContact O-N 2.97Å; L48-T51 PolarHBondContact O-OG1 2.95Å; T51-L53 PolarHBondContact O-N 3.42Å; T51-L53 VanDerWaalsContact OG1-CD2 3.3Å; T51-L53 WeakPolarHBondContact OG1-CD2 3.44Å; T51-K110 WeakPolarHBondContact O-CD 3.44Å |
| 52 | N | 90.1 | Very high | 88.3 | Confident | 110 Ų | 110 | 75.2 Ų | 75.2 | 59% | 0.588 | 39% | 0.393 | S | S | * | . | | | trans | -89.3 | 89.9 | 168 | -170.5 | -38.5 | 0 | 0 | 0 | 109.5 | R54 A55 L56 | N52-R54 VanDerWaalsContact C-N 3.28Å; N52-R54 PolarHBondContact O-N 3.47Å; N52-R54 PolarHBondContact OD1-N 3.31Å; N52-A55 HydrophobicContact CB-CB 4.12Å; N52-A55 PolarHBondContact O-N 3.09Å; N52-A55 VanDerWaalsContact O-N 3.13Å; N52-A55 PolarHBondContact OD1-N 3.05Å; N52-L56 PolarHBondContact O-N 2.83Å |
| 53 | L | 90.1 | Very high | 88.6 | Confident | 13 Ų | 13 | 73.5 Ų | 73.5 | 7% | 0.068 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.6 | -31.2 | -176.8 | -62.4 | 171.5 | 0 | 0 | 0 | 113.1 | L48 T51 L56 I57 A106 W109 K110 | L48-L53 HydrophobicContact CD2-CD2 4.39Å; T51-L53 PolarHBondContact O-N 3.42Å; T51-L53 VanDerWaalsContact OG1-CD2 3.3Å; T51-L53 WeakPolarHBondContact OG1-CD2 3.44Å; L53-L56 PolarHBondContact O-N 3.28Å; L53-I57 WeakPolarHBondContact O-CB 3.45Å; L53-I57 WeakPolarHBondContact O-CG1 3.47Å; L53-I57 PolarHBondContact O-N 3.45Å; L53-A106 HydrophobicContact CB-CB 4.19Å; L53-W109 HydrophobicContact CD1-CE3 3.43Å; L53-W109 VanDerWaalsContact CD1-CE3 3.43Å; L53-W109 HydrophobicContact CD1-CZ3 3.57Å; L53-W109 HydrophobicContact CD2-CZ3 4.47Å; L53-K110 HydrophobicContact CD1-CB 3.94Å; L53-K110 HydrophobicContact CD1-CD 4.48Å; L53-K110 HydrophobicContact CD1-CG 4.21Å |
| 54 | R | 88.4 | Confident | 89.1 | Confident | 126 Ų | 126 | 76.5 Ų | 76.5 | 48% | 0.475 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.5 | -38 | 173.9 | 177.6 | 177.2 | 173.5 | -100.3 | -5 | 112.2 | N52 N98 | N52-R54 VanDerWaalsContact C-N 3.28Å; N52-R54 PolarHBondContact O-N 3.47Å; N52-R54 PolarHBondContact OD1-N 3.31Å; R54-N98 PolarHBondContact NH2-OD1 3.12Å |
| 55 | A | 89.1 | Confident | 89.6 | Confident | 64 Ų | 64 | 77.3 Ų | 77.3 | 53% | 0.529 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -71.6 | -35.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N52 N58 | N52-A55 HydrophobicContact CB-CB 4.12Å; N52-A55 PolarHBondContact O-N 3.09Å; N52-A55 VanDerWaalsContact O-N 3.13Å; N52-A55 PolarHBondContact OD1-N 3.05Å; A55-N58 PolarHBondContact O-ND2 3.24Å |
| 56 | L | 90.4 | Very high | 90.1 | Very high | 98 Ų | 98 | 74 Ų | 74 | 51% | 0.513 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -76.1 | -38.7 | -177.8 | -167.3 | 116.6 | 0 | 0 | 0 | 113.5 | N52 L53 T61 | N52-L56 PolarHBondContact O-N 2.83Å; L53-L56 PolarHBondContact O-N 3.28Å; L56-T61 PolarHBondContact O-OG1 3Å; L56-T61 VanDerWaalsContact O-OG1 3.13Å |
| 57 | I | 91.8 | Very high | 90.3 | Very high | 72 Ų | 72 | 77.9 Ų | 77.9 | 37% | 0.369 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -101.9 | 83.8 | -178.5 | -51.2 | 172.4 | 0 | 0 | 0 | 108.8 | L53 L97 F102 | L53-I57 WeakPolarHBondContact O-CB 3.45Å; L53-I57 WeakPolarHBondContact O-CG1 3.47Å; L53-I57 PolarHBondContact O-N 3.45Å; I57-L97 HydrophobicContact CG2-CD2 4.49Å; I57-F102 HydrophobicContact CB-CE1 4.41Å; I57-F102 HydrophobicContact CB-CZ 3.98Å; I57-F102 HydrophobicContact CD1-CZ 4.44Å; I57-F102 HydrophobicContact CG2-CE1 4.43Å; I57-F102 HydrophobicContact CG2-CZ 3.75Å |
| 58 | N | 91.1 | Very high | 90.5 | Very high | 50 Ų | 50 | 77.5 Ų | 77.5 | 27% | 0.267 | 42% | 0.422 | S | S | . | . | | | trans | -124.6 | 169.3 | -178.5 | 69.4 | 64.4 | 0 | 0 | 0 | 112.3 | A55 H60 T61 F62 | A55-N58 PolarHBondContact O-ND2 3.24Å; N58-H60 VanDerWaalsContact C-N 3.28Å; N58-H60 PolarHBondContact O-N 3Å; N58-H60 WeakPolarHBondContact OD1-CA 3.43Å; N58-H60 WeakPolarHBondContact OD1-CB 3.25Å; N58-H60 PolarHBondContact OD1-N 3.47Å; N58-T61 VanDerWaalsContact CG-OG1 3.28Å; N58-T61 PolarHBondContact N-OG1 3.01Å; N58-T61 PolarHBondContact ND2-OG1 3.03Å; N58-T61 PolarHBondContact O-N 3.48Å; N58-T61 PolarHBondContact O-OG1 3.02Å; N58-T61 PolarHBondContact OD1-N 2.85Å; N58-T61 PolarHBondContact OD1-OG1 2.86Å; N58-F62 WeakPolarHBondContact O-CB 3.45Å; N58-F62 PolarHBondContact O-N 3.19Å |
| 59 | K | 90.3 | Very high | 90.7 | Very high | 123 Ų | 123 | 78.7 Ų | 78.7 | 54% | 0.535 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.3 | -32.4 | -178.4 | 178.3 | 172.9 | 174.6 | -69.9 | 0 | 113.7 | S63 | K59-S63 WeakPolarHBondContact O-CB 3.36Å; K59-S63 PolarHBondContact O-N 2.95Å; K59-S63 VanDerWaalsContact O-N 3.1Å; K59-S63 PolarHBondContact O-OG 2.9Å |
| 60 | H | 90.1 | Very high | 90.9 | Very high | 139 Ų | 139 | 79.9 Ų | 79.9 | 64% | 0.644 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -71.5 | -50.2 | 176.7 | 171.5 | 61.1 | 0 | 0 | 0 | 110.8 | N58 F62 S63 V64 | N58-H60 VanDerWaalsContact C-N 3.28Å; N58-H60 PolarHBondContact O-N 3Å; N58-H60 WeakPolarHBondContact OD1-CA 3.43Å; N58-H60 WeakPolarHBondContact OD1-CB 3.25Å; N58-H60 PolarHBondContact OD1-N 3.47Å; H60-F62 PolarHBondContact O-N 3.37Å; H60-S63 WeakPolarHBondContact O-CB 3.42Å; H60-S63 PolarHBondContact O-N 3.4Å; H60-V64 WeakPolarHBondContact O-CG2 3.26Å; H60-V64 PolarHBondContact O-N 2.96Å; H60-V64 VanDerWaalsContact O-N 3.15Å |
| 61 | T | 92 | Very high | 91.1 | Very high | 58 Ų | 58 | 74.1 Ų | 74.1 | 36% | 0.356 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.8 | -35.2 | 174.9 | 43.8 | 0 | 0 | 0 | 0 | 112.9 | L56 N58 V64 | L56-T61 PolarHBondContact O-OG1 3Å; L56-T61 VanDerWaalsContact O-OG1 3.13Å; N58-T61 VanDerWaalsContact CG-OG1 3.28Å; N58-T61 PolarHBondContact N-OG1 3.01Å; N58-T61 PolarHBondContact ND2-OG1 3.03Å; N58-T61 PolarHBondContact O-N 3.48Å; N58-T61 PolarHBondContact O-OG1 3.02Å; N58-T61 PolarHBondContact OD1-N 2.85Å; N58-T61 PolarHBondContact OD1-OG1 2.86Å; T61-V64 PolarHBondContact O-N 2.74Å |
| 62 | F | 91.8 | Very high | 91.2 | Very high | 25 Ų | 25 | 79.3 Ų | 79.3 | 11% | 0.11 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -64 | -42.7 | 172.5 | -176.9 | -83.8 | 0 | 0 | 0 | 112 | N58 H60 V64 L65 Q70 L73 V74 V92 L97 | N58-F62 WeakPolarHBondContact O-CB 3.45Å; N58-F62 PolarHBondContact O-N 3.19Å; H60-F62 PolarHBondContact O-N 3.37Å; F62-V64 PolarHBondContact O-N 3.06Å; F62-L65 WeakPolarHBondContact O-CB 3.38Å; F62-L65 PolarHBondContact O-N 3.43Å; F62-L65 VanDerWaalsContact O-N 3.14Å; F62-Q70 HydrophobicContact CD1-CG 4.11Å; F62-Q70 HydrophobicContact CE1-CB 3.64Å; F62-Q70 HydrophobicContact CE1-CG 3.57Å; F62-Q70 HydrophobicContact CZ-CB 3.62Å; F62-Q70 HydrophobicContact CZ-CG 3.91Å; F62-Q70 PolarHBondContact O-NE2 3.04Å; F62-L73 HydrophobicContact CD2-CD1 4.33Å; F62-L73 HydrophobicContact CE2-CB 3.73Å; F62-L73 HydrophobicContact CE2-CD1 3.99Å; F62-L73 HydrophobicContact CZ-CB 4.41Å; F62-V74 HydrophobicContact CE1-CG2 4.46Å; F62-V74 HydrophobicContact CZ-CG2 3.71Å; F62-V92 HydrophobicContact CD1-CG2 4.03Å; F62-V92 HydrophobicContact CD2-CG2 4.26Å; F62-V92 HydrophobicContact CE1-CG2 3.5Å; F62-V92 HydrophobicContact CE2-CG2 3.74Å; F62-V92 HydrophobicContact CG-CG2 4.4Å; F62-V92 HydrophobicContact CZ-CG2 3.34Å; F62-L97 HydrophobicContact CB-CD1 4.12Å; F62-L97 HydrophobicContact CD2-CD1 4.48Å; F62-L97 HydrophobicContact CG-CD1 4.47Å |
| 63 | S | 90.6 | Very high | 91.3 | Very high | 63 Ų | 63 | 77.6 Ų | 77.6 | 44% | 0.441 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -69.8 | -17.3 | -178.4 | -55.7 | 0 | 0 | 0 | 0 | 113.4 | K59 H60 Q70 | K59-S63 WeakPolarHBondContact O-CB 3.36Å; K59-S63 PolarHBondContact O-N 2.95Å; K59-S63 VanDerWaalsContact O-N 3.1Å; K59-S63 PolarHBondContact O-OG 2.9Å; H60-S63 WeakPolarHBondContact O-CB 3.42Å; H60-S63 PolarHBondContact O-N 3.4Å; S63-Q70 PolarHBondContact O-NE2 3.29Å |
| 64 | V | 93.8 | Very high | 91.4 | Very high | 105 Ų | 105 | 77 Ų | 77 | 64% | 0.636 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -13.5 | 174.7 | 172.8 | 0 | 0 | 0 | 0 | 112.2 | H60 T61 F62 | H60-V64 WeakPolarHBondContact O-CG2 3.26Å; H60-V64 PolarHBondContact O-N 2.96Å; H60-V64 VanDerWaalsContact O-N 3.15Å; T61-V64 PolarHBondContact O-N 2.74Å; F62-V64 PolarHBondContact O-N 3.06Å |
| 65 | L | 92.1 | Very high | 91.5 | Very high | 68 Ų | 68 | 77 Ų | 77 | 36% | 0.356 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -75.3 | 151 | 176.9 | -59.7 | 177.1 | 0 | 0 | 0 | 111.9 | F62 C69 Q70 L73 | F62-L65 WeakPolarHBondContact O-CB 3.38Å; F62-L65 PolarHBondContact O-N 3.43Å; F62-L65 VanDerWaalsContact O-N 3.14Å; L65-C69 HydrophobicContact CB-CB 4.34Å; L65-Q70 HydrophobicContact CB-CG 4.09Å; L65-Q70 PolarHBondContact O-NE2 3.17Å; L65-L73 HydrophobicContact CD1-CD1 3.5Å |
| 66 | P | 93.9 | Very high | 91.7 | Very high | 76 Ų | 76 | 80.8 Ų | 80.8 | 49% | 0.494 | 43% | 0.425 | S | S | . | . | | | trans | -56.7 | 147 | 172.8 | -25.5 | 34.8 | 0 | 0 | 0 | 112.7 | D68 C69 Q70 | P66-D68 VanDerWaalsContact C-N 3.3Å; P66-D68 PolarHBondContact O-N 3.2Å; P66-C69 WeakPolarHBondContact O-CA 3.46Å; P66-C69 WeakPolarHBondContact O-CB 3.39Å; P66-C69 PolarHBondContact O-N 3Å; P66-Q70 PolarHBondContact O-N 3.39Å |
| 67 | P | 89.1 | Confident | 91.8 | Very high | 87 Ų | 87 | 77.8 Ų | 77.8 | 57% | 0.565 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -53.7 | -40 | -177 | -29.3 | 36.3 | 0 | 0 | 0 | 114.4 | C69 Q70 Q71 | P67-C69 VanDerWaalsContact C-N 3.29Å; P67-C69 PolarHBondContact O-N 3.47Å; P67-Q70 WeakPolarHBondContact O-CB 3.41Å; P67-Q70 PolarHBondContact O-N 3.46Å; P67-Q71 WeakPolarHBondContact O-CG 3.33Å; P67-Q71 PolarHBondContact O-N 3.32Å |
| 68 | D | 91.3 | Very high | 91.7 | Very high | 115 Ų | 115 | 77.9 Ų | 77.9 | 62% | 0.615 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -62.9 | -35.9 | 177.1 | -58.3 | -51.2 | 0 | 0 | 0 | 112.9 | P66 K72 | P66-D68 VanDerWaalsContact C-N 3.3Å; P66-D68 PolarHBondContact O-N 3.2Å; D68-K72 WeakPolarHBondContact O-CD 3.5Å; D68-K72 WeakPolarHBondContact O-CG 3.42Å; D68-K72 PolarHBondContact O-N 3.25Å; D68-K72 VanDerWaalsContact O-N 3.1Å |
| 69 | C | 91.6 | Very high | 91.6 | Very high | 54 Ų | 54 | 83.3 Ų | 83.3 | 37% | 0.365 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -71.4 | -42.3 | 174.9 | -64.9 | 0 | 0 | 0 | 0 | 110.4 | L65 P66 P67 Q71 K72 L73 | L65-C69 HydrophobicContact CB-CB 4.34Å; P66-C69 WeakPolarHBondContact O-CA 3.46Å; P66-C69 WeakPolarHBondContact O-CB 3.39Å; P66-C69 PolarHBondContact O-N 3Å; P67-C69 VanDerWaalsContact C-N 3.29Å; P67-C69 PolarHBondContact O-N 3.47Å; C69-Q71 PolarHBondContact O-N 2.93Å; C69-K72 PolarHBondContact O-N 3.18Å; C69-L73 VanDerWaalsContact O-CG 3.29Å; C69-L73 WeakPolarHBondContact O-CG 3.43Å; C69-L73 PolarHBondContact O-N 3.38Å |
| 70 | Q | 92.7 | Very high | 91.3 | Very high | 45 Ų | 45 | 83.4 Ų | 83.4 | 21% | 0.21 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -56.5 | -50.7 | 172.8 | -64.4 | -173.7 | 29.5 | 0 | 0 | 110.7 | F62 S63 L65 P66 P67 K72 L73 V74 | F62-Q70 HydrophobicContact CD1-CG 4.11Å; F62-Q70 HydrophobicContact CE1-CB 3.64Å; F62-Q70 HydrophobicContact CE1-CG 3.57Å; F62-Q70 HydrophobicContact CZ-CB 3.62Å; F62-Q70 HydrophobicContact CZ-CG 3.91Å; F62-Q70 PolarHBondContact O-NE2 3.04Å; S63-Q70 PolarHBondContact O-NE2 3.29Å; L65-Q70 HydrophobicContact CB-CG 4.09Å; L65-Q70 PolarHBondContact O-NE2 3.17Å; P66-Q70 PolarHBondContact O-N 3.39Å; P67-Q70 WeakPolarHBondContact O-CB 3.41Å; P67-Q70 PolarHBondContact O-N 3.46Å; Q70-K72 PolarHBondContact O-N 3.41Å; Q70-L73 PolarHBondContact O-N 3.4Å; Q70-V74 VanDerWaalsContact O-CG2 3.31Å; Q70-V74 WeakPolarHBondContact O-CG2 3.15Å; Q70-V74 PolarHBondContact O-N 3.44Å |
| 71 | Q | 91.8 | Very high | 91.3 | Very high | 31 Ų | 31 | 77.7 Ų | 77.7 | 15% | 0.145 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.8 | -38.2 | 180 | -69.9 | -48.2 | -69 | 0 | 0 | 113.7 | P67 C69 L73 K75 L89 L90 | P67-Q71 WeakPolarHBondContact O-CG 3.33Å; P67-Q71 PolarHBondContact O-N 3.32Å; C69-Q71 PolarHBondContact O-N 2.93Å; Q71-L73 VanDerWaalsContact C-N 3.31Å; Q71-K75 VanDerWaalsContact O-CG 3.28Å; Q71-K75 WeakPolarHBondContact O-CG 3.29Å; Q71-K75 PolarHBondContact O-N 2.99Å; Q71-L89 HydrophobicContact CG-CD1 3.74Å; Q71-L89 HydrophobicContact CG-CG 4.39Å; Q71-L90 PolarHBondContact NE2-O 3.26Å; Q71-L90 PolarHBondContact OE1-O 3.19Å |
| 72 | K | 92.8 | Very high | 91.3 | Very high | 143 Ų | 143 | 79 Ų | 79 | 62% | 0.622 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.7 | -38.1 | 173.9 | -72.9 | 163.2 | -171.2 | 168.7 | 0 | 111.5 | D68 C69 Q70 | D68-K72 WeakPolarHBondContact O-CD 3.5Å; D68-K72 WeakPolarHBondContact O-CG 3.42Å; D68-K72 PolarHBondContact O-N 3.25Å; D68-K72 VanDerWaalsContact O-N 3.1Å; C69-K72 PolarHBondContact O-N 3.18Å; Q70-K72 PolarHBondContact O-N 3.41Å |
| 73 | L | 92.4 | Very high | 91.1 | Very high | 74 Ų | 74 | 82.9 Ų | 82.9 | 39% | 0.387 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -74.6 | -41.5 | 178.3 | -68.4 | 169 | 0 | 0 | 0 | 113.2 | F62 L65 C69 Q70 Q71 K75 L76 L77 | F62-L73 HydrophobicContact CD2-CD1 4.33Å; F62-L73 HydrophobicContact CE2-CB 3.73Å; F62-L73 HydrophobicContact CE2-CD1 3.99Å; F62-L73 HydrophobicContact CZ-CB 4.41Å; L65-L73 HydrophobicContact CD1-CD1 3.5Å; C69-L73 VanDerWaalsContact O-CG 3.29Å; C69-L73 WeakPolarHBondContact O-CG 3.43Å; C69-L73 PolarHBondContact O-N 3.38Å; Q70-L73 PolarHBondContact O-N 3.4Å; Q71-L73 VanDerWaalsContact C-N 3.31Å; L73-K75 PolarHBondContact O-N 3.39Å; L73-L76 WeakPolarHBondContact O-CB 3.44Å; L73-L76 PolarHBondContact O-N 3.25Å; L73-L77 PolarHBondContact O-N 3.25Å |
| 74 | V | 93.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 83.2 Ų | 83.2 | 0% | 0 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -61.5 | -34.1 | 176.9 | -171.2 | 0 | 0 | 0 | 0 | 111.3 | F62 Q70 L76 L77 R82 L90 V92 | F62-V74 HydrophobicContact CE1-CG2 4.46Å; F62-V74 HydrophobicContact CZ-CG2 3.71Å; Q70-V74 VanDerWaalsContact O-CG2 3.31Å; Q70-V74 WeakPolarHBondContact O-CG2 3.15Å; Q70-V74 PolarHBondContact O-N 3.44Å; V74-L76 PolarHBondContact O-N 2.86Å; V74-L77 PolarHBondContact O-N 3.49Å; V74-L77 VanDerWaalsContact O-N 3.16Å; V74-R82 HydrophobicContact CG1-CB 4.2Å; V74-R82 HydrophobicContact CG1-CG 3.91Å; V74-R82 PolarHBondContact O-NE 2.75Å; V74-L90 HydrophobicContact CB-CB 4.27Å; V74-L90 HydrophobicContact CG1-CB 3.83Å; V74-V92 HydrophobicContact CG2-CG2 3.6Å |
| 75 | K | 90.9 | Very high | 90.1 | Very high | 128 Ų | 128 | 80 Ų | 80 | 56% | 0.557 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -12.1 | 175 | -71.9 | 173.4 | -177.4 | -176.2 | 0 | 114.4 | Q71 L73 R82 L90 | Q71-K75 VanDerWaalsContact O-CG 3.28Å; Q71-K75 WeakPolarHBondContact O-CG 3.29Å; Q71-K75 PolarHBondContact O-N 2.99Å; L73-K75 PolarHBondContact O-N 3.39Å; K75-R82 PolarHBondContact O-NH2 2.87Å; K75-L90 HydrophobicContact CG-CD1 4.21Å |
| 76 | L | 92.8 | Very high | 89.2 | Confident | 143 Ų | 143 | 85.5 Ų | 85.5 | 75% | 0.749 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -14.2 | 174.3 | -60.9 | 174.9 | 0 | 0 | 0 | 113.6 | L73 V74 | L73-L76 WeakPolarHBondContact O-CB 3.44Å; L73-L76 PolarHBondContact O-N 3.25Å; V74-L76 PolarHBondContact O-N 2.86Å |
| 77 | L | 91.4 | Very high | 88.5 | Confident | 34 Ų | 34 | 88.1 Ų | 88.1 | 18% | 0.178 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -74.4 | 155.2 | 177.4 | -64.6 | 178.6 | 0 | 0 | 0 | 111.6 | L73 V74 D81 R82 V92 | L73-L77 PolarHBondContact O-N 3.25Å; V74-L77 PolarHBondContact O-N 3.49Å; V74-L77 VanDerWaalsContact O-N 3.16Å; L77-D81 HydrophobicContact CB-CB 4.04Å; L77-D81 HydrophobicContact CD1-CB 4.36Å; L77-R82 VanDerWaalsContact O-CZ 3.23Å; L77-R82 PolarHBondContact O-NE 3.43Å; L77-R82 PolarHBondContact O-NH2 3.36Å; L77-V92 HydrophobicContact CD1-CB 4.42Å; L77-V92 HydrophobicContact CD1-CG1 3.95Å; L77-V92 HydrophobicContact CD1-CG2 3.88Å |
| 78 | P | 89.9 | Confident | 88 | Confident | 74 Ų | 74 | 87.4 Ų | 87.4 | 48% | 0.481 | 48% | 0.476 | S | S | . | . | | | trans | -51.1 | 150.4 | 166.4 | -25.7 | 35.3 | 0 | 0 | 0 | 111.9 | V80 D81 R82 | P78-V80 VanDerWaalsContact C-N 3.27Å; P78-V80 HydrophobicContact CB-CG2 3.97Å; P78-V80 PolarHBondContact O-N 3.42Å; P78-D81 WeakPolarHBondContact CD-OD2 3.45Å; P78-D81 WeakPolarHBondContact CG-OD2 3.38Å; P78-D81 WeakPolarHBondContact O-CB 3.25Å; P78-D81 PolarHBondContact O-N 2.92Å; P78-R82 WeakPolarHBondContact O-CG 3.31Å |
| 79 | E | 88.6 | Confident | 87.4 | Confident | 165 Ų | 165 | 86 Ų | 86 | 77% | 0.771 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -60.2 | -37 | -176.6 | -172.9 | 161.8 | -153.2 | 0 | 0 | 112.9 | D81 R82 | E79-D81 PolarHBondContact O-N 3.17Å; E79-R82 WeakPolarHBondContact O-CB 3.49Å; E79-R82 PolarHBondContact O-N 3.07Å |
| 80 | V | 85.6 | Confident | 87.1 | Confident | 125 Ų | 125 | 85.8 Ų | 85.8 | 76% | 0.758 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -60.7 | -22 | 174 | -62.6 | 0 | 0 | 0 | 0 | 114.4 | P78 | P78-V80 VanDerWaalsContact C-N 3.27Å; P78-V80 HydrophobicContact CB-CG2 3.97Å; P78-V80 PolarHBondContact O-N 3.42Å |
| 81 | D | 89.5 | Confident | 86.8 | Confident | 19 Ų | 19 | 89.8 Ų | 89.8 | 10% | 0.102 | 48% | 0.48 | C | S | . | . | G | 310 helix | trans | -93.2 | 2 | 178.9 | -72 | -46.1 | 0 | 0 | 0 | 112.8 | L77 P78 E79 T93 A96 | L77-D81 HydrophobicContact CB-CB 4.04Å; L77-D81 HydrophobicContact CD1-CB 4.36Å; P78-D81 WeakPolarHBondContact CD-OD2 3.45Å; P78-D81 WeakPolarHBondContact CG-OD2 3.38Å; P78-D81 WeakPolarHBondContact O-CB 3.25Å; P78-D81 PolarHBondContact O-N 2.92Å; E79-D81 PolarHBondContact O-N 3.17Å; D81-T93 VanDerWaalsContact C-OG1 3.25Å; D81-T93 PolarHBondContact O-N 3Å; D81-T93 PolarHBondContact O-OG1 3.44Å; D81-A96 HydrophobicContact CB-CB 3.6Å; D81-A96 VanDerWaalsContact OD1-CA 3.26Å; D81-A96 WeakPolarHBondContact OD1-CA 3.41Å; D81-A96 VanDerWaalsContact OD1-CB 3.23Å; D81-A96 WeakPolarHBondContact OD1-CB 3.33Å |
| 82 | R | 90.8 | Very high | 86.7 | Confident | 85 Ų | 85 | 89.2 Ų | 89.2 | 32% | 0.321 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 110.1 | 178.3 | -51.5 | 176.3 | -169 | -162.5 | -4.2 | 110.3 | V74 K75 L77 P78 E79 L90 | V74-R82 HydrophobicContact CG1-CB 4.2Å; V74-R82 HydrophobicContact CG1-CG 3.91Å; V74-R82 PolarHBondContact O-NE 2.75Å; K75-R82 PolarHBondContact O-NH2 2.87Å; L77-R82 VanDerWaalsContact O-CZ 3.23Å; L77-R82 PolarHBondContact O-NE 3.43Å; L77-R82 PolarHBondContact O-NH2 3.36Å; P78-R82 WeakPolarHBondContact O-CG 3.31Å; E79-R82 WeakPolarHBondContact O-CB 3.49Å; E79-R82 PolarHBondContact O-N 3.07Å; R82-L90 HydrophobicContact CB-CD2 4.32Å |
| 83 | Q | 88.2 | Confident | 86.5 | Confident | 107 Ų | 107 | 83.9 Ų | 83.9 | 50% | 0.5 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 116.7 | 167.4 | -178.9 | 60.8 | 65 | 0 | 0 | 109.5 | C85 K91 T93 | Q83-C85 PolarHBondContact O-N 2.88Å; Q83-K91 HydrophobicContact CB-CB 4.35Å; Q83-K91 PolarHBondContact N-O 3.4Å; Q83-K91 WeakPolarHBondContact O-CB 3.46Å; Q83-K91 PolarHBondContact O-N 3.47Å; Q83-T93 PolarHBondContact N-OG1 3.14Å |
| 84 | A | 84.6 | Confident | 85.9 | Confident | 69 Ų | 69 | 85.2 Ų | 85.2 | 57% | 0.57 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 127.1 | 164 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 85 | C | 78.9 | Confident | 85.6 | Confident | 39 Ų | 39 | 88.2 Ų | 88.2 | 26% | 0.264 | 49% | 0.494 | S | S | . | . | P | Polyproline II helix | trans | -94.4 | 158.3 | 172.5 | -151.1 | 0 | 0 | 0 | 0 | 110.3 | Q83 D87 G88 L89 | Q83-C85 PolarHBondContact O-N 2.88Å; C85-D87 PolarHBondContact O-N 3.25Å; C85-D87 PolarHBondContact SG-OD2 3.04Å; C85-G88 PolarHBondContact O-N 3.36Å; C85-G88 VanDerWaalsContact O-N 3.08Å; C85-L89 WeakPolarHBondContact CB-O 3.3Å; C85-L89 PolarHBondContact N-O 3.01Å |
| 86 | L | 73.9 | Confident | 85.5 | Confident | 182 Ų | 182 | 82.3 Ų | 82.3 | 95% | 0.953 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -27.2 | 178.8 | -65.1 | 172 | 0 | 0 | 0 | 112.3 | G88 | L86-G88 PolarHBondContact O-N 3.06Å; L86-G88 VanDerWaalsContact O-N 3.11Å |
| 87 | D | 78.6 | Confident | 85.2 | Confident | 132 Ų | 132 | 76.5 Ų | 76.5 | 71% | 0.706 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | 9.2 | 177 | -34 | -72.3 | 0 | 0 | 0 | 113.5 | C85 L89 | C85-D87 PolarHBondContact O-N 3.25Å; C85-D87 PolarHBondContact SG-OD2 3.04Å; D87-L89 HydrophobicContact CB-CB 4.44Å; D87-L89 PolarHBondContact O-N 3.3Å; D87-L89 VanDerWaalsContact O-N 3.08Å |
| 88 | G | 77.6 | Confident | 85.1 | Confident | 72 Ų | 72 | 79.8 Ų | 79.8 | 74% | 0.742 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 69.6 | -3.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | C85 L86 | C85-G88 PolarHBondContact O-N 3.36Å; C85-G88 VanDerWaalsContact O-N 3.08Å; L86-G88 PolarHBondContact O-N 3.06Å; L86-G88 VanDerWaalsContact O-N 3.11Å |
| 89 | L | 78.6 | Confident | 85.1 | Confident | 86 Ų | 86 | 78.6 Ų | 78.6 | 45% | 0.45 | 45% | 0.446 | S | S | . | . | | | trans | -85.5 | 137.4 | -174.1 | -159.9 | 69.8 | 0 | 0 | 0 | 111.6 | Q71 C85 D87 | Q71-L89 HydrophobicContact CG-CD1 3.74Å; Q71-L89 HydrophobicContact CG-CG 4.39Å; C85-L89 WeakPolarHBondContact CB-O 3.3Å; C85-L89 PolarHBondContact N-O 3.01Å; D87-L89 HydrophobicContact CB-CB 4.44Å; D87-L89 PolarHBondContact O-N 3.3Å; D87-L89 VanDerWaalsContact O-N 3.08Å |
| 90 | L | 86.1 | Confident | 85.2 | Confident | 49 Ų | 49 | 77.2 Ų | 77.2 | 26% | 0.257 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 124.6 | 179.6 | -70.6 | 164.3 | 0 | 0 | 0 | 110.4 | Q71 V74 K75 R82 | Q71-L90 PolarHBondContact NE2-O 3.26Å; Q71-L90 PolarHBondContact OE1-O 3.19Å; V74-L90 HydrophobicContact CB-CB 4.27Å; V74-L90 HydrophobicContact CG1-CB 3.83Å; K75-L90 HydrophobicContact CG-CD1 4.21Å; R82-L90 HydrophobicContact CB-CD2 4.32Å |
| 91 | K | 86.6 | Confident | 85.5 | Confident | 129 Ų | 129 | 78.1 Ų | 78.1 | 56% | 0.561 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 154 | -177 | -161.1 | 169.3 | -170.7 | 167.5 | 0 | 110.2 | Q83 | Q83-K91 HydrophobicContact CB-CB 4.35Å; Q83-K91 PolarHBondContact N-O 3.4Å; Q83-K91 WeakPolarHBondContact O-CB 3.46Å; Q83-K91 PolarHBondContact O-N 3.47Å |
| 92 | V | 89.2 | Confident | 85.7 | Confident | 19 Ų | 19 | 79.6 Ų | 79.6 | 12% | 0.115 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 127.5 | 176.5 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | F62 V74 L77 A96 L97 | F62-V92 HydrophobicContact CD1-CG2 4.03Å; F62-V92 HydrophobicContact CD2-CG2 4.26Å; F62-V92 HydrophobicContact CE1-CG2 3.5Å; F62-V92 HydrophobicContact CE2-CG2 3.74Å; F62-V92 HydrophobicContact CG-CG2 4.4Å; F62-V92 HydrophobicContact CZ-CG2 3.34Å; V74-V92 HydrophobicContact CG2-CG2 3.6Å; L77-V92 HydrophobicContact CD1-CB 4.42Å; L77-V92 HydrophobicContact CD1-CG1 3.95Å; L77-V92 HydrophobicContact CD1-CG2 3.88Å; V92-A96 HydrophobicContact CG1-CB 3.73Å; V92-L97 HydrophobicContact CG1-CD1 4.39Å; V92-L97 HydrophobicContact CG1-CG 4.17Å |
| 93 | T | 88.7 | Confident | 85.7 | Confident | 30 Ų | 30 | 76.9 Ų | 76.9 | 18% | 0.184 | 44% | 0.435 | C | S | . | . | | | trans | -61.3 | 144.1 | 173.5 | -54.4 | 0 | 0 | 0 | 0 | 110.5 | D81 Q83 S95 A96 | D81-T93 VanDerWaalsContact C-OG1 3.25Å; D81-T93 PolarHBondContact O-N 3Å; D81-T93 PolarHBondContact O-OG1 3.44Å; Q83-T93 PolarHBondContact N-OG1 3.14Å; T93-S95 WeakPolarHBondContact CG2-OG 3.19Å; T93-S95 PolarHBondContact O-N 3.4Å; T93-S95 VanDerWaalsContact O-N 3.12Å; T93-A96 WeakPolarHBondContact O-CB 3.42Å; T93-A96 PolarHBondContact O-N 2.84Å; T93-A96 VanDerWaalsContact O-N 3.11Å |
| 94 | S | 81.3 | Confident | 86 | Confident | 102 Ų | 102 | 75.4 Ų | 75.4 | 71% | 0.713 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -26.8 | -173.8 | 49.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 95 | S | 86.8 | Confident | 86.5 | Confident | 64 Ų | 64 | 75 Ų | 75 | 45% | 0.448 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -26.4 | 177.4 | 46.9 | 0 | 0 | 0 | 0 | 114.6 | T93 L97 N98 N99 | T93-S95 WeakPolarHBondContact CG2-OG 3.19Å; T93-S95 PolarHBondContact O-N 3.4Å; T93-S95 VanDerWaalsContact O-N 3.12Å; S95-L97 PolarHBondContact O-N 2.86Å; S95-N98 CarbonylContact O-C 3.49Å; S95-N98 WeakPolarHBondContact O-CA 3.38Å; S95-N98 PolarHBondContact O-N 3.37Å; S95-N99 PolarHBondContact O-N 3.32Å; S95-N99 VanDerWaalsContact O-N 3.12Å |
| 96 | A | 87.5 | Confident | 87.1 | Confident | 4 Ų | 4 | 73.7 Ų | 73.7 | 3% | 0.033 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -54 | -50 | -164.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D81 V92 T93 N98 N99 | D81-A96 HydrophobicContact CB-CB 3.6Å; D81-A96 VanDerWaalsContact OD1-CA 3.26Å; D81-A96 WeakPolarHBondContact OD1-CA 3.41Å; D81-A96 VanDerWaalsContact OD1-CB 3.23Å; D81-A96 WeakPolarHBondContact OD1-CB 3.33Å; V92-A96 HydrophobicContact CG1-CB 3.73Å; T93-A96 WeakPolarHBondContact O-CB 3.42Å; T93-A96 PolarHBondContact O-N 2.84Å; T93-A96 VanDerWaalsContact O-N 3.11Å; A96-N98 VanDerWaalsContact C-N 3.26Å; A96-N98 PolarHBondContact O-N 2.68Å; A96-N99 WeakPolarHBondContact O-CB 3.4Å |
| 97 | L | 86.9 | Confident | 88.1 | Confident | 20 Ų | 20 | 68.9 Ų | 68.9 | 11% | 0.105 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -84.6 | 5.3 | -179.9 | -57.7 | 178.9 | 0 | 0 | 0 | 113.7 | I57 F62 V92 S95 F102 | I57-L97 HydrophobicContact CG2-CD2 4.49Å; F62-L97 HydrophobicContact CB-CD1 4.12Å; F62-L97 HydrophobicContact CD2-CD1 4.48Å; F62-L97 HydrophobicContact CG-CD1 4.47Å; V92-L97 HydrophobicContact CG1-CD1 4.39Å; V92-L97 HydrophobicContact CG1-CG 4.17Å; S95-L97 PolarHBondContact O-N 2.86Å; L97-F102 HydrophobicContact CD2-CE1 4.36Å; L97-F102 HydrophobicContact CD2-CE2 4.26Å; L97-F102 HydrophobicContact CD2-CZ 4.13Å; L97-F102 WeakPolarHBondContact O-CD1 3.49Å |
| 98 | N | 88.8 | Confident | 88.8 | Confident | 103 Ų | 103 | 64.1 Ų | 64.1 | 55% | 0.551 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -121 | 10.6 | 176.4 | -165.8 | 38.2 | 0 | 0 | 0 | 112.5 | R54 S95 A96 | R54-N98 PolarHBondContact NH2-OD1 3.12Å; S95-N98 CarbonylContact O-C 3.49Å; S95-N98 WeakPolarHBondContact O-CA 3.38Å; S95-N98 PolarHBondContact O-N 3.37Å; A96-N98 VanDerWaalsContact C-N 3.26Å; A96-N98 PolarHBondContact O-N 2.68Å |
| 99 | N | 90.5 | Very high | 89.5 | Confident | 49 Ų | 49 | 64.7 Ų | 64.7 | 26% | 0.262 | 35% | 0.354 | S | S | . | . | | | trans | -74.1 | 147.1 | -177.6 | -166.3 | -24 | 0 | 0 | 0 | 111.6 | S95 A96 F101 F102 A103 | S95-N99 PolarHBondContact O-N 3.32Å; S95-N99 VanDerWaalsContact O-N 3.12Å; A96-N99 WeakPolarHBondContact O-CB 3.4Å; N99-F101 VanDerWaalsContact C-N 3.28Å; N99-F101 PolarHBondContact O-N 3.48Å; N99-F101 WeakPolarHBondContact OD1-CD2 3.4Å; N99-F101 PolarHBondContact OD1-N 3.08Å; N99-F102 HydrophobicContact CB-CB 4.14Å; N99-F102 PolarHBondContact O-N 3.12Å; N99-A103 PolarHBondContact O-N 3.29Å |
| 100 | E | 91 | Very high | 90.3 | Very high | 136 Ų | 136 | 62.6 Ų | 62.6 | 64% | 0.636 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.3 | -35.5 | 173.8 | 66.9 | -175 | 164.9 | 0 | 0 | 112 | A103 S104 | E100-A103 PolarHBondContact O-N 2.93Å; E100-S104 VanDerWaalsContact O-CB 3.29Å; E100-S104 WeakPolarHBondContact O-CB 3.46Å; E100-S104 PolarHBondContact O-N 3.33Å; E100-S104 PolarHBondContact O-OG 2.91Å |
| 101 | F | 91.8 | Very high | 90.6 | Very high | 145 Ų | 145 | 64.4 Ų | 64.4 | 64% | 0.636 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -65.8 | -39.7 | 174.6 | -59.7 | -63.8 | 0 | 0 | 0 | 111.4 | N99 A105 | N99-F101 VanDerWaalsContact C-N 3.28Å; N99-F101 PolarHBondContact O-N 3.48Å; N99-F101 WeakPolarHBondContact OD1-CD2 3.4Å; N99-F101 PolarHBondContact OD1-N 3.08Å; F101-A105 WeakPolarHBondContact O-CB 3.38Å; F101-A105 PolarHBondContact O-N 3.06Å |
| 102 | F | 93.1 | Very high | 90.8 | Very high | 49 Ų | 49 | 63.5 Ų | 63.5 | 22% | 0.215 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.5 | -42.9 | 175.2 | 179.4 | -106.9 | 0 | 0 | 0 | 111.7 | I57 L97 N99 S104 A105 A106 | I57-F102 HydrophobicContact CB-CE1 4.41Å; I57-F102 HydrophobicContact CB-CZ 3.98Å; I57-F102 HydrophobicContact CD1-CZ 4.44Å; I57-F102 HydrophobicContact CG2-CE1 4.43Å; I57-F102 HydrophobicContact CG2-CZ 3.75Å; L97-F102 HydrophobicContact CD2-CE1 4.36Å; L97-F102 HydrophobicContact CD2-CE2 4.26Å; L97-F102 HydrophobicContact CD2-CZ 4.13Å; L97-F102 WeakPolarHBondContact O-CD1 3.49Å; N99-F102 HydrophobicContact CB-CB 4.14Å; N99-F102 PolarHBondContact O-N 3.12Å; F102-S104 PolarHBondContact O-N 2.83Å; F102-A105 PolarHBondContact O-N 2.97Å; F102-A106 VanDerWaalsContact O-CB 3.3Å; F102-A106 WeakPolarHBondContact O-CB 3.42Å; F102-A106 PolarHBondContact O-N 2.84Å |
| 103 | A | 91.9 | Very high | 90.9 | Very high | 29 Ų | 29 | 62.6 Ų | 62.6 | 24% | 0.24 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | N99 E100 Q107 | N99-A103 PolarHBondContact O-N 3.29Å; E100-A103 PolarHBondContact O-N 2.93Å; A103-Q107 WeakPolarHBondContact O-CB 3.17Å; A103-Q107 PolarHBondContact O-N 3.19Å |
| 104 | S | 93.6 | Very high | 91 | Very high | 76 Ų | 76 | 63.5 Ų | 63.5 | 53% | 0.531 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.6 | -40.7 | 179 | -56 | 0 | 0 | 0 | 0 | 112.1 | E100 F102 Q107 S108 | E100-S104 VanDerWaalsContact O-CB 3.29Å; E100-S104 WeakPolarHBondContact O-CB 3.46Å; E100-S104 PolarHBondContact O-N 3.33Å; E100-S104 PolarHBondContact O-OG 2.91Å; F102-S104 PolarHBondContact O-N 2.83Å; S104-Q107 PolarHBondContact O-N 3.44Å; S104-S108 WeakPolarHBondContact O-CB 3.27Å; S104-S108 PolarHBondContact O-N 3.49Å |
| 105 | A | 94.3 | Very high | 91.3 | Very high | 59 Ų | 59 | 65 Ų | 65 | 49% | 0.488 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F101 F102 S108 W109 | F101-A105 WeakPolarHBondContact O-CB 3.38Å; F101-A105 PolarHBondContact O-N 3.06Å; F102-A105 PolarHBondContact O-N 2.97Å; A105-S108 PolarHBondContact O-N 3.13Å; A105-W109 VanDerWaalsContact O-CB 3.28Å; A105-W109 WeakPolarHBondContact O-CB 3.15Å; A105-W109 PolarHBondContact O-N 2.95Å |
| 106 | A | 93.3 | Very high | 91.2 | Very high | 12 Ų | 12 | 62.2 Ų | 62.2 | 10% | 0.099 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.7 | -38.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L53 F102 K110 | L53-A106 HydrophobicContact CB-CB 4.19Å; F102-A106 VanDerWaalsContact O-CB 3.3Å; F102-A106 WeakPolarHBondContact O-CB 3.42Å; F102-A106 PolarHBondContact O-N 2.84Å; A106-K110 WeakPolarHBondContact O-CB 3.5Å; A106-K110 PolarHBondContact O-N 3.49Å |
| 107 | Q | 93.4 | Very high | 91 | Very high | 81 Ų | 81 | 64.1 Ų | 64.1 | 38% | 0.379 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.3 | -48.3 | 174.5 | 178.4 | 61.8 | 21.6 | 0 | 0 | 111.5 | A103 S104 W109 K110 E111 | A103-Q107 WeakPolarHBondContact O-CB 3.17Å; A103-Q107 PolarHBondContact O-N 3.19Å; S104-Q107 PolarHBondContact O-N 3.44Å; Q107-W109 PolarHBondContact O-N 2.9Å; Q107-K110 WeakPolarHBondContact O-CB 3.26Å; Q107-K110 PolarHBondContact O-N 3.44Å; Q107-K110 VanDerWaalsContact O-N 3.13Å; Q107-E111 PolarHBondContact NE2-OE1 2.91Å; Q107-E111 WeakPolarHBondContact O-CG 3.46Å; Q107-E111 PolarHBondContact O-N 3.11Å |
| 108 | S | 93.2 | Very high | 90.8 | Very high | 32 Ų | 32 | 65.6 Ų | 65.6 | 22% | 0.224 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 178.5 | -175.7 | 0 | 0 | 0 | 0 | 112.3 | S104 A105 K110 E111 R112 | S104-S108 WeakPolarHBondContact O-CB 3.27Å; S104-S108 PolarHBondContact O-N 3.49Å; A105-S108 PolarHBondContact O-N 3.13Å; S108-K110 VanDerWaalsContact C-N 3.3Å; S108-K110 PolarHBondContact O-N 2.89Å; S108-E111 PolarHBondContact O-N 2.81Å; S108-R112 WeakPolarHBondContact O-CG 3.26Å; S108-R112 PolarHBondContact O-N 2.84Å; S108-R112 PolarHBondContact OG-NE 3.41Å; S108-R112 PolarHBondContact OG-NH2 3.13Å |
| 109 | W | 93.8 | Very high | 90.7 | Very high | 84 Ų | 84 | 62.1 Ų | 62.1 | 32% | 0.318 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.5 | -41.1 | 173.3 | 178.8 | 84.9 | 0 | 0 | 0 | 111.9 | V41 L48 L53 A105 Q107 R112 L113 F118 | V41-W109 HydrophobicContact CB-CZ2 4.46Å; L48-W109 HydrophobicContact CB-CH2 4.37Å; L48-W109 HydrophobicContact CB-CZ3 4.25Å; L48-W109 HydrophobicContact CD1-CH2 3.8Å; L48-W109 HydrophobicContact CD1-CZ3 4.33Å; L53-W109 HydrophobicContact CD1-CE3 3.43Å; L53-W109 VanDerWaalsContact CD1-CE3 3.43Å; L53-W109 HydrophobicContact CD1-CZ3 3.57Å; L53-W109 HydrophobicContact CD2-CZ3 4.47Å; A105-W109 VanDerWaalsContact O-CB 3.28Å; A105-W109 WeakPolarHBondContact O-CB 3.15Å; A105-W109 PolarHBondContact O-N 2.95Å; Q107-W109 PolarHBondContact O-N 2.9Å; W109-R112 PolarHBondContact O-N 3.12Å; W109-L113 HydrophobicContact CH2-CD2 3.6Å; W109-L113 HydrophobicContact CZ2-CD2 4.17Å; W109-L113 HydrophobicContact CZ3-CD2 3.85Å; W109-L113 WeakPolarHBondContact O-CB 3.47Å; W109-L113 PolarHBondContact O-N 3.2Å; W109-F118 AromaticContact CD1-CE2 3.79Å; W109-F118 AromaticContact CD1-CZ 3.47Å; W109-F118 VanDerWaalsContact CD1-CZ 3.47Å; W109-F118 HydrophobicContact CG-CE2 4.4Å; W109-F118 HydrophobicContact CG-CZ 4.35Å; W109-F118 AromaticContact NE1-CE2 3.6Å; W109-F118 AromaticContact NE1-CZ 3.57Å |
| 110 | K | 93.5 | Very high | 90.3 | Very high | 42 Ų | 42 | 63.2 Ų | 63.2 | 18% | 0.183 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.9 | -36.2 | 177.8 | -164.8 | -168.2 | 80.1 | -164.2 | 0 | 112.5 | V49 T51 L53 A106 Q107 S108 A114 | V49-K110 WeakPolarHBondContact O-CD 3.35Å; V49-K110 WeakPolarHBondContact O-CE 3.39Å; V49-K110 WeakPolarHBondContact O-CG 3.47Å; T51-K110 WeakPolarHBondContact O-CD 3.44Å; L53-K110 HydrophobicContact CD1-CB 3.94Å; L53-K110 HydrophobicContact CD1-CD 4.48Å; L53-K110 HydrophobicContact CD1-CG 4.21Å; A106-K110 WeakPolarHBondContact O-CB 3.5Å; A106-K110 PolarHBondContact O-N 3.49Å; Q107-K110 WeakPolarHBondContact O-CB 3.26Å; Q107-K110 PolarHBondContact O-N 3.44Å; Q107-K110 VanDerWaalsContact O-N 3.13Å; S108-K110 VanDerWaalsContact C-N 3.3Å; S108-K110 PolarHBondContact O-N 2.89Å; K110-A114 PolarHBondContact O-N 3.2Å |
| 111 | E | 92.7 | Very high | 89.9 | Confident | 87 Ų | 87 | 62.9 Ų | 62.9 | 41% | 0.407 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.7 | -49.7 | 174.9 | -72.4 | 161.7 | 169.5 | 0 | 0 | 111.1 | Q107 S108 L113 A114 E115 | Q107-E111 PolarHBondContact NE2-OE1 2.91Å; Q107-E111 WeakPolarHBondContact O-CG 3.46Å; Q107-E111 PolarHBondContact O-N 3.11Å; S108-E111 PolarHBondContact O-N 2.81Å; E111-L113 VanDerWaalsContact C-N 3.26Å; E111-L113 PolarHBondContact O-N 2.88Å; E111-A114 CarbonylContact O-C 3.43Å; E111-A114 WeakPolarHBondContact O-CA 3.49Å; E111-A114 VanDerWaalsContact O-CB 3.31Å; E111-A114 WeakPolarHBondContact O-CB 3.29Å; E111-A114 PolarHBondContact O-N 2.92Å; E111-E115 WeakPolarHBondContact O-CG 3.49Å; E111-E115 PolarHBondContact O-N 3.37Å |
| 112 | R | 92.3 | Very high | 89.6 | Confident | 110 Ų | 110 | 57.5 Ų | 57.5 | 42% | 0.415 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.2 | -35.2 | 174.9 | -64.5 | 169.1 | -153.3 | -133.1 | 6.3 | 113 | S108 W109 E115 G116 E117 F118 | S108-R112 WeakPolarHBondContact O-CG 3.26Å; S108-R112 PolarHBondContact O-N 2.84Å; S108-R112 PolarHBondContact OG-NE 3.41Å; S108-R112 PolarHBondContact OG-NH2 3.13Å; W109-R112 PolarHBondContact O-N 3.12Å; R112-E115 PolarHBondContact O-N 3.34Å; R112-G116 PolarHBondContact O-N 3.21Å; R112-E117 HydrophobicContact CB-CB 4.14Å; R112-E117 HydrophobicContact CB-CG 4.02Å; R112-E117 WeakPolarHBondContact CB-OE2 3.44Å; R112-E117 WeakPolarHBondContact CD-OE2 3.19Å; R112-E117 HydrophobicContact CG-CG 4.3Å; R112-E117 WeakPolarHBondContact CG-OE2 3.31Å; R112-E117 PolarHBondContact O-N 3.46Å; R112-F118 HydrophobicContact CB-CE2 3.84Å; R112-F118 HydrophobicContact CB-CZ 3.91Å |
| 113 | L | 91.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.8 | -41 | 172.9 | -176.5 | 63.4 | 0 | 0 | 0 | 111.3 | P44 L48 V49 W109 E111 E115 G116 F118 | P44-L113 WeakPolarHBondContact CA-O 3.46Å; P44-L113 VanDerWaalsContact CB-O 3.31Å; P44-L113 WeakPolarHBondContact CB-O 3.3Å; L48-L113 HydrophobicContact CB-CD2 4.15Å; V49-L113 HydrophobicContact CG2-CB 4.15Å; V49-L113 HydrophobicContact CG2-CD2 3.83Å; V49-L113 HydrophobicContact CG2-CG 3.66Å; W109-L113 HydrophobicContact CH2-CD2 3.6Å; W109-L113 HydrophobicContact CZ2-CD2 4.17Å; W109-L113 HydrophobicContact CZ3-CD2 3.85Å; W109-L113 WeakPolarHBondContact O-CB 3.47Å; W109-L113 PolarHBondContact O-N 3.2Å; E111-L113 VanDerWaalsContact C-N 3.26Å; E111-L113 PolarHBondContact O-N 2.88Å; L113-E115 VanDerWaalsContact C-N 3.33Å; L113-G116 PolarHBondContact O-N 2.91Å; L113-G116 VanDerWaalsContact O-N 3.12Å; L113-F118 HydrophobicContact CB-CD2 4.03Å; L113-F118 HydrophobicContact CB-CE2 4.02Å; L113-F118 HydrophobicContact CD1-CD2 3.91Å |
| 114 | A | 89.6 | Confident | 89 | Confident | 49 Ų | 49 | 61.4 Ų | 61.4 | 41% | 0.405 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.9 | -32 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P44 V49 K110 E111 G116 | P44-A114 WeakPolarHBondContact CB-O 3.38Å; V49-A114 HydrophobicContact CG1-CB 3.59Å; V49-A114 HydrophobicContact CG2-CB 4.19Å; K110-A114 PolarHBondContact O-N 3.2Å; E111-A114 CarbonylContact O-C 3.43Å; E111-A114 WeakPolarHBondContact O-CA 3.49Å; E111-A114 VanDerWaalsContact O-CB 3.31Å; E111-A114 WeakPolarHBondContact O-CB 3.29Å; E111-A114 PolarHBondContact O-N 2.92Å; A114-G116 VanDerWaalsContact C-N 3.29Å |
| 115 | E | 87.4 | Confident | 88.6 | Confident | 135 Ų | 135 | 64.8 Ų | 64.8 | 63% | 0.631 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -78.1 | -15.7 | 172.5 | -68.5 | 170.7 | 169.7 | 0 | 0 | 112.4 | E111 R112 L113 | E111-E115 WeakPolarHBondContact O-CG 3.49Å; E111-E115 PolarHBondContact O-N 3.37Å; R112-E115 PolarHBondContact O-N 3.34Å; L113-E115 VanDerWaalsContact C-N 3.33Å |
| 116 | G | 85.8 | Confident | 88.3 | Confident | 4 Ų | 4 | 64.7 Ų | 64.7 | 4% | 0.041 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | 22.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | R112 L113 A114 F118 T119 | R112-G116 PolarHBondContact O-N 3.21Å; L113-G116 PolarHBondContact O-N 2.91Å; L113-G116 VanDerWaalsContact O-N 3.12Å; A114-G116 VanDerWaalsContact C-N 3.29Å; G116-F118 PolarHBondContact O-N 3.44Å; G116-F118 VanDerWaalsContact O-N 3.09Å; G116-T119 WeakPolarHBondContact O-CB 3.41Å; G116-T119 WeakPolarHBondContact O-CG2 3.38Å; G116-T119 PolarHBondContact O-N 3.24Å; G116-T119 PolarHBondContact O-OG1 3.03Å |
| 117 | E | 82.3 | Confident | 88 | Confident | 45 Ų | 45 | 71.9 Ų | 71.9 | 21% | 0.21 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -33.7 | 179 | -72.5 | -158 | 147.8 | 0 | 0 | 112.6 | R112 T119 Q123 M126 | R112-E117 HydrophobicContact CB-CB 4.14Å; R112-E117 HydrophobicContact CB-CG 4.02Å; R112-E117 WeakPolarHBondContact CB-OE2 3.44Å; R112-E117 WeakPolarHBondContact CD-OE2 3.19Å; R112-E117 HydrophobicContact CG-CG 4.3Å; R112-E117 WeakPolarHBondContact CG-OE2 3.31Å; R112-E117 PolarHBondContact O-N 3.46Å; E117-T119 VanDerWaalsContact C-N 3.29Å; E117-T119 PolarHBondContact O-N 3.16Å; E117-Q123 VanDerWaalsContact O-CG 3.26Å; E117-Q123 WeakPolarHBondContact O-CG 3.24Å; E117-M126 HydrophobicContact CB-SD 4.28Å; E117-M126 HydrophobicContact CG-CE 4.34Å; E117-M126 HydrophobicContact CG-SD 4.19Å; E117-M126 WeakPolarHBondContact OE1-CE 3.26Å |
| 118 | F | 83.9 | Confident | 87.9 | Confident | 51 Ų | 51 | 72.8 Ų | 72.8 | 22% | 0.224 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -13.5 | -178 | -56.3 | -58.1 | 0 | 0 | 0 | 113.8 | W109 R112 L113 G116 Q123 | W109-F118 AromaticContact CD1-CE2 3.79Å; W109-F118 AromaticContact CD1-CZ 3.47Å; W109-F118 VanDerWaalsContact CD1-CZ 3.47Å; W109-F118 HydrophobicContact CG-CE2 4.4Å; W109-F118 HydrophobicContact CG-CZ 4.35Å; W109-F118 AromaticContact NE1-CE2 3.6Å; W109-F118 AromaticContact NE1-CZ 3.57Å; R112-F118 HydrophobicContact CB-CE2 3.84Å; R112-F118 HydrophobicContact CB-CZ 3.91Å; L113-F118 HydrophobicContact CB-CD2 4.03Å; L113-F118 HydrophobicContact CB-CE2 4.02Å; L113-F118 HydrophobicContact CD1-CD2 3.91Å; G116-F118 PolarHBondContact O-N 3.44Å; G116-F118 VanDerWaalsContact O-N 3.09Å; F118-Q123 PolarHBondContact O-NE2 3.14Å |
| 119 | T | 85.9 | Confident | 87.6 | Confident | 30 Ų | 30 | 77.1 Ų | 77.1 | 18% | 0.184 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -60 | 136.1 | 173.8 | 60.2 | 0 | 0 | 0 | 0 | 110.7 | E42 G116 E117 E121 L122 Q123 | E42-T119 PolarHBondContact O-N 2.93Å; G116-T119 WeakPolarHBondContact O-CB 3.41Å; G116-T119 WeakPolarHBondContact O-CG2 3.38Å; G116-T119 PolarHBondContact O-N 3.24Å; G116-T119 PolarHBondContact O-OG1 3.03Å; E117-T119 VanDerWaalsContact C-N 3.29Å; E117-T119 PolarHBondContact O-N 3.16Å; T119-E121 PolarHBondContact O-N 3.37Å; T119-E121 VanDerWaalsContact O-N 3.12Å; T119-L122 PolarHBondContact O-N 3.02Å; T119-L122 VanDerWaalsContact O-N 3.08Å; T119-L122 WeakPolarHBondContact OG1-CB 3.37Å; T119-L122 PolarHBondContact OG1-N 2.66Å; T119-Q123 PolarHBondContact O-N 3.48Å |
| 120 | P | 81.8 | Confident | 87.2 | Confident | 71 Ų | 71 | 77 Ų | 77 | 46% | 0.461 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -53.2 | -35.8 | -179.3 | -28.5 | 35.9 | 0 | 0 | 0 | 113.6 | V124 | P120-V124 WeakPolarHBondContact O-CB 3.23Å; P120-V124 VanDerWaalsContact O-CG2 3.29Å; P120-V124 WeakPolarHBondContact O-CG2 3.34Å; P120-V124 PolarHBondContact O-N 3.39Å |
| 121 | E | 82.8 | Confident | 86.8 | Confident | 129 Ų | 129 | 81.8 Ų | 81.8 | 60% | 0.603 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -68.3 | -37.3 | -179.3 | -63.2 | 67.5 | -148.4 | 0 | 0 | 112.5 | T119 R125 | T119-E121 PolarHBondContact O-N 3.37Å; T119-E121 VanDerWaalsContact O-N 3.12Å; E121-R125 PolarHBondContact O-N 3.42Å |
| 122 | L | 85.3 | Confident | 86.2 | Confident | 32 Ų | 32 | 83.7 Ų | 83.7 | 17% | 0.168 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -80.4 | -39 | 175.1 | -173.2 | 44.4 | 0 | 0 | 0 | 111 | T119 V124 R125 M126 | T119-L122 PolarHBondContact O-N 3.02Å; T119-L122 VanDerWaalsContact O-N 3.08Å; T119-L122 WeakPolarHBondContact OG1-CB 3.37Å; T119-L122 PolarHBondContact OG1-N 2.66Å; L122-V124 VanDerWaalsContact C-N 3.31Å; L122-V124 PolarHBondContact O-N 3.13Å; L122-R125 HydrophobicContact CD1-CB 4.22Å; L122-R125 CarbonylContact O-C 3.56Å; L122-R125 WeakPolarHBondContact O-CA 3.37Å; L122-R125 WeakPolarHBondContact O-CB 3.47Å; L122-R125 PolarHBondContact O-N 2.97Å; L122-M126 HydrophobicContact CD1-CG 4.03Å; L122-M126 HydrophobicContact CD1-SD 4.44Å; L122-M126 HydrophobicContact CG-CG 4.35Å; L122-M126 HydrophobicContact CG-SD 4.18Å; L122-M126 WeakPolarHBondContact O-CG 3.26Å; L122-M126 PolarHBondContact O-N 2.98Å |
| 123 | Q | 85.1 | Confident | 85.1 | Confident | 63 Ų | 63 | 85.9 Ų | 85.9 | 29% | 0.294 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -56.1 | -43.6 | 171.6 | -71.7 | -165.2 | 45.7 | 0 | 0 | 112.6 | E117 F118 T119 R125 R127 | E117-Q123 VanDerWaalsContact O-CG 3.26Å; E117-Q123 WeakPolarHBondContact O-CG 3.24Å; F118-Q123 PolarHBondContact O-NE2 3.14Å; T119-Q123 PolarHBondContact O-N 3.48Å; Q123-R125 VanDerWaalsContact C-N 3.34Å; Q123-R127 WeakPolarHBondContact O-CB 3.27Å; Q123-R127 WeakPolarHBondContact O-CD 3.45Å; Q123-R127 WeakPolarHBondContact O-CG 3.46Å; Q123-R127 PolarHBondContact O-N 2.92Å |
| 124 | V | 87.3 | Confident | 83.8 | Confident | 98 Ų | 98 | 93.5 Ų | 93.5 | 59% | 0.594 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -64.4 | -39.9 | 175.9 | 167.3 | 0 | 0 | 0 | 0 | 110.9 | P120 L122 Q128 | P120-V124 WeakPolarHBondContact O-CB 3.23Å; P120-V124 VanDerWaalsContact O-CG2 3.29Å; P120-V124 WeakPolarHBondContact O-CG2 3.34Å; P120-V124 PolarHBondContact O-N 3.39Å; L122-V124 VanDerWaalsContact C-N 3.31Å; L122-V124 PolarHBondContact O-N 3.13Å; V124-Q128 WeakPolarHBondContact O-CB 3.23Å; V124-Q128 PolarHBondContact O-N 2.94Å |
| 125 | R | 86.8 | Confident | 82.5 | Confident | 146 Ų | 146 | 98.5 Ų | 98.5 | 55% | 0.551 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.3 | -48.3 | 176.2 | -169.9 | -174.3 | -52.2 | 147.8 | 13.3 | 112 | E121 L122 Q123 Q128 E129 | E121-R125 PolarHBondContact O-N 3.42Å; L122-R125 HydrophobicContact CD1-CB 4.22Å; L122-R125 CarbonylContact O-C 3.56Å; L122-R125 WeakPolarHBondContact O-CA 3.37Å; L122-R125 WeakPolarHBondContact O-CB 3.47Å; L122-R125 PolarHBondContact O-N 2.97Å; Q123-R125 VanDerWaalsContact C-N 3.34Å; R125-Q128 CarbonylContact O-C 3.6Å; R125-Q128 PolarHBondContact O-N 3.1Å; R125-E129 WeakPolarHBondContact O-CB 3.47Å; R125-E129 PolarHBondContact O-N 2.79Å |
| 126 | M | 86.1 | Confident | 81.1 | Confident | 58 Ų | 58 | 95.2 Ų | 95.2 | 29% | 0.286 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 178 | -66.7 | 173.3 | 85.2 | 0 | 0 | 111.6 | E117 L122 Q128 E129 I130 | E117-M126 HydrophobicContact CB-SD 4.28Å; E117-M126 HydrophobicContact CG-CE 4.34Å; E117-M126 HydrophobicContact CG-SD 4.19Å; E117-M126 WeakPolarHBondContact OE1-CE 3.26Å; L122-M126 HydrophobicContact CD1-CG 4.03Å; L122-M126 HydrophobicContact CD1-SD 4.44Å; L122-M126 HydrophobicContact CG-CG 4.35Å; L122-M126 HydrophobicContact CG-SD 4.18Å; L122-M126 WeakPolarHBondContact O-CG 3.26Å; L122-M126 PolarHBondContact O-N 2.98Å; M126-Q128 VanDerWaalsContact C-N 3.32Å; M126-Q128 PolarHBondContact O-N 3Å; M126-E129 PolarHBondContact O-N 3.39Å; M126-I130 WeakPolarHBondContact O-CB 3.15Å; M126-I130 VanDerWaalsContact O-CG1 3.27Å; M126-I130 WeakPolarHBondContact O-CG1 3.42Å; M126-I130 PolarHBondContact O-N 3.07Å |
| 127 | R | 88.2 | Confident | 80.2 | Confident | 162 Ų | 162 | 99.5 Ų | 99.5 | 61% | 0.611 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -59.9 | -43.1 | 173 | -70.8 | 167.6 | -159.2 | -128.8 | 8.5 | 111.4 | Q123 E129 E131 | Q123-R127 WeakPolarHBondContact O-CB 3.27Å; Q123-R127 WeakPolarHBondContact O-CD 3.45Å; Q123-R127 WeakPolarHBondContact O-CG 3.46Å; Q123-R127 PolarHBondContact O-N 2.92Å; R127-E129 VanDerWaalsContact C-N 3.32Å; R127-E129 PolarHBondContact O-N 3.35Å; R127-E131 VanDerWaalsContact O-CB 3.27Å; R127-E131 WeakPolarHBondContact O-CB 3.45Å; R127-E131 PolarHBondContact O-N 3.05Å |
| 128 | Q | 90.6 | Very high | 79 | Confident | 101 Ų | 101 | 103.8 Ų | 103.8 | 47% | 0.472 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.9 | -27.8 | 177.3 | -155.1 | -163 | 51.4 | 0 | 0 | 112.8 | V124 R125 M126 K132 | V124-Q128 WeakPolarHBondContact O-CB 3.23Å; V124-Q128 PolarHBondContact O-N 2.94Å; R125-Q128 CarbonylContact O-C 3.6Å; R125-Q128 PolarHBondContact O-N 3.1Å; M126-Q128 VanDerWaalsContact C-N 3.32Å; M126-Q128 PolarHBondContact O-N 3Å; Q128-K132 VanDerWaalsContact O-CD 3.26Å; Q128-K132 WeakPolarHBondContact O-CD 3.44Å; Q128-K132 WeakPolarHBondContact O-CG 3.48Å; Q128-K132 PolarHBondContact O-N 2.99Å; Q128-K132 VanDerWaalsContact O-N 3.13Å |
| 129 | E | 87.4 | Confident | 77.8 | Confident | 122 Ų | 122 | 108.1 Ų | 108.1 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -73.2 | -48.6 | 174.6 | -170.6 | 151.5 | -133.9 | 0 | 0 | 110.8 | R125 M126 R127 E131 K132 E133 | R125-E129 WeakPolarHBondContact O-CB 3.47Å; R125-E129 PolarHBondContact O-N 2.79Å; M126-E129 PolarHBondContact O-N 3.39Å; R127-E129 VanDerWaalsContact C-N 3.32Å; R127-E129 PolarHBondContact O-N 3.35Å; E129-E131 VanDerWaalsContact C-N 3.29Å; E129-E131 PolarHBondContact O-N 2.6Å; E129-K132 WeakPolarHBondContact O-CB 3.41Å; E129-K132 PolarHBondContact O-N 3.16Å; E129-K132 VanDerWaalsContact O-N 3.12Å; E129-E133 WeakPolarHBondContact O-CB 3.31Å; E129-E133 PolarHBondContact O-N 3.15Å |
| 130 | I | 85.3 | Confident | 76.9 | Confident | 81 Ų | 81 | 110.6 Ų | 110.6 | 42% | 0.415 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.7 | -37.7 | 172.7 | -66.1 | 163.3 | 0 | 0 | 0 | 111.3 | M126 E133 K134 | M126-I130 WeakPolarHBondContact O-CB 3.15Å; M126-I130 VanDerWaalsContact O-CG1 3.27Å; M126-I130 WeakPolarHBondContact O-CG1 3.42Å; M126-I130 PolarHBondContact O-N 3.07Å; I130-E133 PolarHBondContact O-N 2.9Å; I130-K134 HydrophobicContact CG2-CD 3.98Å; I130-K134 HydrophobicContact CG2-CG 4.35Å; I130-K134 VanDerWaalsContact O-CB 3.23Å; I130-K134 WeakPolarHBondContact O-CB 3.43Å; I130-K134 VanDerWaalsContact O-CG 3.23Å; I130-K134 WeakPolarHBondContact O-CG 3.21Å; I130-K134 PolarHBondContact O-N 2.84Å |
| 131 | E | 85 | Confident | 76.1 | Confident | 143 Ų | 143 | 112.9 Ų | 112.9 | 67% | 0.668 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.8 | -33.5 | 176.3 | -174.4 | 174.4 | -118.3 | 0 | 0 | 112.8 | R127 E129 K135 | R127-E131 VanDerWaalsContact O-CB 3.27Å; R127-E131 WeakPolarHBondContact O-CB 3.45Å; R127-E131 PolarHBondContact O-N 3.05Å; E129-E131 VanDerWaalsContact C-N 3.29Å; E129-E131 PolarHBondContact O-N 2.6Å; E131-K135 PolarHBondContact O-N 3.19Å |
| 132 | K | 81.1 | Confident | 75 | Confident | 128 Ų | 128 | 110.2 Ų | 110.2 | 56% | 0.557 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -71.8 | -41.1 | 171.7 | -71.7 | 161 | -166.6 | 156.8 | 0 | 111.9 | Q128 E129 K135 | Q128-K132 VanDerWaalsContact O-CD 3.26Å; Q128-K132 WeakPolarHBondContact O-CD 3.44Å; Q128-K132 WeakPolarHBondContact O-CG 3.48Å; Q128-K132 PolarHBondContact O-N 2.99Å; Q128-K132 VanDerWaalsContact O-N 3.13Å; E129-K132 WeakPolarHBondContact O-CB 3.41Å; E129-K132 PolarHBondContact O-N 3.16Å; E129-K132 VanDerWaalsContact O-N 3.12Å; K132-K135 VanDerWaalsContact O-CB 3.26Å; K132-K135 WeakPolarHBondContact O-CB 3.14Å; K132-K135 PolarHBondContact O-N 3.4Å; K132-K135 VanDerWaalsContact O-N 3.14Å |
| 133 | E | 68.9 | Low | 73.4 | Confident | 155 Ų | 155 | 116.9 Ų | 116.9 | 72% | 0.724 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -70.4 | -39.5 | -179.5 | -174.3 | 172.3 | -133.7 | 0 | 0 | 111.9 | E129 I130 K135 | E129-E133 WeakPolarHBondContact O-CB 3.31Å; E129-E133 PolarHBondContact O-N 3.15Å; I130-E133 PolarHBondContact O-N 2.9Å; E133-K135 PolarHBondContact O-N 2.97Å; E133-K135 VanDerWaalsContact O-N 3.12Å |
| 134 | K | 63.5 | Low | 71.7 | Confident | 161 Ų | 161 | 121.5 Ų | 121.5 | 70% | 0.7 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -11.8 | 169.3 | -76.7 | 179.5 | 177.7 | -175.7 | 0 | 113.7 | I130 V136 | I130-K134 HydrophobicContact CG2-CD 3.98Å; I130-K134 HydrophobicContact CG2-CG 4.35Å; I130-K134 VanDerWaalsContact O-CB 3.23Å; I130-K134 WeakPolarHBondContact O-CB 3.43Å; I130-K134 VanDerWaalsContact O-CG 3.23Å; I130-K134 WeakPolarHBondContact O-CG 3.21Å; I130-K134 PolarHBondContact O-N 2.84Å; K134-V136 PolarHBondContact O-N 2.7Å |
| 135 | K | 61.5 | Low | 70.3 | Confident | 154 Ų | 154 | 122.9 Ų | 122.9 | 67% | 0.67 | 56% | 0.561 | S | S | * | * | | | trans | -81.2 | 61.3 | 170.9 | -155.4 | 165.4 | -168.7 | 166.3 | 0 | 110.7 | E131 K132 E133 E137 | E131-K135 PolarHBondContact O-N 3.19Å; K132-K135 VanDerWaalsContact O-CB 3.26Å; K132-K135 WeakPolarHBondContact O-CB 3.14Å; K132-K135 PolarHBondContact O-N 3.4Å; K132-K135 VanDerWaalsContact O-N 3.14Å; E133-K135 PolarHBondContact O-N 2.97Å; E133-K135 VanDerWaalsContact O-N 3.12Å; K135-E137 PolarHBondContact O-N 3.09Å |
| 136 | V | 59.5 | Low | 68.5 | Low | 66 Ų | 66 | 123.4 Ų | 123.4 | 40% | 0.4 | 58% | 0.575 | S | S | . | * | | | trans | -52 | 128.6 | 159.2 | -178.1 | 0 | 0 | 0 | 0 | 106.5 | K134 H138 K140 E141 | K134-V136 PolarHBondContact O-N 2.7Å; V136-H138 PolarHBondContact O-N 3.12Å; V136-K140 HydrophobicContact CG1-CB 3.71Å; V136-K140 HydrophobicContact CG1-CD 4.24Å; V136-E141 HydrophobicContact CB-CG 3.9Å; V136-E141 HydrophobicContact CG1-CG 3.69Å |
| 137 | E | 65.8 | Low | 66.6 | Low | 93 Ų | 93 | 129.6 Ų | 129.6 | 44% | 0.435 | 60% | 0.597 | S | S | . | * | | | trans | -61.4 | 130.8 | -177.9 | -62.9 | 172.1 | 84.8 | 0 | 0 | 109.1 | K135 W139 K140 E141 | K135-E137 PolarHBondContact O-N 3.09Å; E137-W139 HydrophobicContact CB-CG 4.39Å; E137-W139 PolarHBondContact O-N 2.97Å; E137-W139 PolarHBondContact OE1-NE1 2.88Å; E137-W139 PolarHBondContact OE2-NE1 3.43Å; E137-K140 HydrophobicContact CB-CD 4.38Å; E137-K140 WeakPolarHBondContact O-CA 3.44Å; E137-K140 WeakPolarHBondContact O-CB 3.18Å; E137-K140 PolarHBondContact O-N 3.35Å; E137-K140 WeakPolarHBondContact OE2-CE 3.34Å; E137-K140 IonicContact OE2-NZ 2.65Å; E137-K140 PolarHBondContact OE2-NZ 2.85Å; E137-E141 PolarHBondContact O-N 2.88Å |
| 138 | H | 58.4 | Low | 64.8 | Low | 135 Ų | 135 | 131.3 Ų | 131.3 | 63% | 0.625 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -57.1 | -17.7 | -171.8 | -59.6 | -29.5 | 0 | 0 | 0 | 114.6 | V136 E141 A142 | V136-H138 PolarHBondContact O-N 3.12Å; H138-E141 WeakPolarHBondContact CA-OE2 3.35Å; H138-E141 IonicContact CE1-OE2 3.64Å; H138-E141 IonicContact CG-OE2 3.64Å; H138-E141 IonicContact ND1-OE2 2.6Å; H138-E141 PolarHBondContact ND1-OE2 3.49Å; H138-A142 WeakPolarHBondContact O-CB 3.3Å; H138-A142 PolarHBondContact O-N 2.95Å |
| 139 | W | 58.2 | Low | 62.7 | Low | 143 Ų | 143 | 128.1 Ų | 128.1 | 54% | 0.542 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -73.5 | -30.3 | 171.2 | 71.5 | -98.5 | 0 | 0 | 0 | 113.3 | E137 F143 | E137-W139 HydrophobicContact CB-CG 4.39Å; E137-W139 PolarHBondContact O-N 2.97Å; E137-W139 PolarHBondContact OE1-NE1 2.88Å; E137-W139 PolarHBondContact OE2-NE1 3.43Å; W139-F143 WeakPolarHBondContact O-CB 3.37Å; W139-F143 WeakPolarHBondContact O-CD2 3.19Å; W139-F143 PolarHBondContact O-N 2.95Å |
| 140 | K | 66.9 | Low | 60.5 | Low | 82 Ų | 82 | 131.3 Ų | 131.3 | 36% | 0.357 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -70.9 | -46.2 | 170.8 | -67.1 | 167.8 | 176.5 | 155.5 | 0 | 109.7 | V136 E137 A142 F143 F144 | V136-K140 HydrophobicContact CG1-CB 3.71Å; V136-K140 HydrophobicContact CG1-CD 4.24Å; E137-K140 HydrophobicContact CB-CD 4.38Å; E137-K140 WeakPolarHBondContact O-CA 3.44Å; E137-K140 WeakPolarHBondContact O-CB 3.18Å; E137-K140 PolarHBondContact O-N 3.35Å; E137-K140 WeakPolarHBondContact OE2-CE 3.34Å; E137-K140 IonicContact OE2-NZ 2.65Å; E137-K140 PolarHBondContact OE2-NZ 2.85Å; K140-A142 PolarHBondContact O-N 2.88Å; K140-F143 PolarHBondContact O-N 3.29Å; K140-F144 WeakPolarHBondContact O-CB 3.35Å; K140-F144 PolarHBondContact O-N 3.12Å |
| 141 | E | 64.6 | Low | 58.6 | Low | 118 Ų | 118 | 132.2 Ų | 132.2 | 55% | 0.551 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -59.3 | -33 | 174.7 | -59 | 177.5 | 135.2 | 0 | 0 | 112.3 | V136 E137 H138 | V136-E141 HydrophobicContact CB-CG 3.9Å; V136-E141 HydrophobicContact CG1-CG 3.69Å; E137-E141 PolarHBondContact O-N 2.88Å; H138-E141 WeakPolarHBondContact CA-OE2 3.35Å; H138-E141 IonicContact CE1-OE2 3.64Å; H138-E141 IonicContact CG-OE2 3.64Å; H138-E141 IonicContact ND1-OE2 2.6Å; H138-E141 PolarHBondContact ND1-OE2 3.49Å |
| 142 | A | 60.3 | Low | 56.9 | Low | 73 Ų | 73 | 130.1 Ų | 130.1 | 60% | 0.603 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -91.2 | -14.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116 | H138 K140 | H138-A142 WeakPolarHBondContact O-CB 3.3Å; H138-A142 PolarHBondContact O-N 2.95Å; K140-A142 PolarHBondContact O-N 2.88Å |
| 143 | F | 51.4 | Low | 55.6 | Low | 173 Ų | 173 | 128 Ų | 128 | 76% | 0.759 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -132.7 | -8.8 | -175.3 | -72.8 | -86.8 | 0 | 0 | 0 | 115.5 | W139 K140 E145 | W139-F143 WeakPolarHBondContact O-CB 3.37Å; W139-F143 WeakPolarHBondContact O-CD2 3.19Å; W139-F143 PolarHBondContact O-N 2.95Å; K140-F143 PolarHBondContact O-N 3.29Å; F143-E145 VanDerWaalsContact C-N 3.25Å; F143-E145 PolarHBondContact O-N 3.14Å; F143-E145 VanDerWaalsContact O-N 3.13Å |
| 144 | F | 49.6 | Very low | 54.3 | Low | 159 Ų | 159 | 124.8 Ų | 124.8 | 70% | 0.697 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -86.9 | 35.3 | -173.1 | -150.5 | -95.3 | 0 | 0 | 0 | 114.6 | K140 | K140-F144 WeakPolarHBondContact O-CB 3.35Å; K140-F144 PolarHBondContact O-N 3.12Å |
| 145 | E | 56.8 | Low | 54 | Low | 128 Ų | 128 | 120.6 Ų | 120.6 | 60% | 0.598 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -152.6 | 76.3 | 168.4 | -132 | 163.5 | -115.4 | 0 | 0 | 113.7 | F143 N151 | F143-E145 VanDerWaalsContact C-N 3.25Å; F143-E145 PolarHBondContact O-N 3.14Å; F143-E145 VanDerWaalsContact O-N 3.13Å; E145-N151 VanDerWaalsContact CD-ND2 3.34Å; E145-N151 PolarHBondContact OE2-ND2 2.65Å |
| 146 | N | 50.3 | Low | 53.8 | Low | 156 Ų | 156 | 121.4 Ų | 121.4 | 83% | 0.834 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -157.3 | 27.7 | 156.6 | -163.1 | 32.1 | 0 | 0 | 0 | 113.7 | | |
| 147 | Y | 46.6 | Very low | 53.6 | Low | 189 Ų | 189 | 123 Ų | 123 | 74% | 0.741 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -153.1 | -20.2 | 175.7 | -156.5 | -118 | 0 | 0 | 0 | 116.7 | | |
| 148 | Y | 49.7 | Very low | 53.3 | Low | 198 Ų | 198 | 122.9 Ų | 122.9 | 78% | 0.776 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -133.8 | 3 | 175 | -70.9 | -61.8 | 0 | 0 | 0 | 115.1 | | |
| 149 | G | 46 | Very low | 53.6 | Low | 34 Ų | 34 | 118.8 Ų | 118.8 | 35% | 0.351 | 60% | 0.602 | S | S | . | * | | | trans | -103.7 | 88 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | N151 | G149-N151 PolarHBondContact O-N 3.45Š|
| 150 | E | 40.4 | Very low | 53.7 | Low | 189 Ų | 189 | 116.4 Ų | 116.4 | 88% | 0.883 | 60% | 0.596 | S | S | * | * | | | trans | -77.8 | 73.8 | 162.1 | -171.8 | 173.3 | -164 | 0 | 0 | 107.7 | S152 | E150-S152 PolarHBondContact O-N 3.28Š|
| 151 | N | 45.5 | Very low | 53.4 | Low | 99 Ų | 99 | 118.1 Ų | 118.1 | 53% | 0.529 | 61% | 0.605 | S | S | . | * | | | trans | -59.3 | 112.1 | 169.5 | -66.8 | -7.7 | 0 | 0 | 0 | 106.6 | E145 G149 G153 | E145-N151 VanDerWaalsContact CD-ND2 3.34Å; E145-N151 PolarHBondContact OE2-ND2 2.65Å; G149-N151 PolarHBondContact O-N 3.45Å; N151-G153 PolarHBondContact O-N 2.75Å |
| 152 | S | 49.3 | Very low | 53.1 | Low | 100 Ų | 100 | 118.6 Ų | 118.6 | 70% | 0.699 | 61% | 0.611 | S | S | * | * | | | trans | -49.8 | 119.6 | 171 | -53.4 | 0 | 0 | 0 | 0 | 107 | E150 L154 | E150-S152 PolarHBondContact O-N 3.28Å; S152-L154 PolarHBondContact O-N 3.35Å |
| 153 | G | 53.5 | Low | 53 | Low | 84 Ų | 84 | 121.8 Ų | 121.8 | 87% | 0.866 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -71.1 | 40.8 | -151 | 0 | 0 | 0 | 0 | 0 | 117.3 | N151 | N151-G153 PolarHBondContact O-N 2.75Š|
| 154 | L | 43.6 | Very low | 53.1 | Low | 86 Ų | 86 | 119.3 Ų | 119.3 | 45% | 0.45 | 61% | 0.605 | S | S | . | * | | | trans | -101.5 | 142 | -179.4 | -49.7 | 176.8 | 0 | 0 | 0 | 108.6 | S152 E158 L162 | S152-L154 PolarHBondContact O-N 3.35Å; L154-E158 VanDerWaalsContact CA-OE2 3.23Å; L154-E158 WeakPolarHBondContact CA-OE2 3.43Å; L154-E158 HydrophobicContact CB-CB 4.34Å; L154-E158 HydrophobicContact CB-CG 4.16Å; L154-E158 HydrophobicContact CD2-CG 4.37Å; L154-E158 WeakPolarHBondContact CD2-OE1 3.35Å; L154-L162 HydrophobicContact CD1-CD1 3.81Å |
| 155 | S | 57 | Low | 52.9 | Low | 73 Ų | 73 | 118 Ų | 118 | 51% | 0.51 | 61% | 0.613 | S | S | . | * | | | trans | -63.4 | 154.2 | 172.9 | -179.3 | 0 | 0 | 0 | 0 | 111.6 | E157 E158 S159 | S155-E157 PolarHBondContact O-N 2.71Å; S155-E157 PolarHBondContact OG-N 2.98Å; S155-E158 PolarHBondContact N-OE2 2.86Å; S155-E158 WeakPolarHBondContact O-CB 3.21Å; S155-E158 PolarHBondContact O-N 3.08Å; S155-S159 PolarHBondContact O-N 3.21Å |
| 156 | Y | 55.7 | Low | 52.1 | Low | 171 Ų | 171 | 119.2 Ų | 119.2 | 67% | 0.671 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -49.5 | -40.4 | 167.4 | 171.8 | -100.8 | 0 | 0 | 0 | 111.4 | S159 K160 | Y156-S159 PolarHBondContact O-OG 3.14Å; Y156-K160 HydrophobicContact CE1-CD 4.18Å; Y156-K160 WeakPolarHBondContact O-CB 3.45Å; Y156-K160 PolarHBondContact O-N 3Å |
| 157 | E | 56.4 | Low | 51.9 | Low | 101 Ų | 101 | 114.4 Ų | 114.4 | 47% | 0.472 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -74.2 | -28.3 | 179.6 | -139.5 | 60.6 | -145.5 | 0 | 0 | 112.8 | S155 K160 E161 | S155-E157 PolarHBondContact O-N 2.71Å; S155-E157 PolarHBondContact OG-N 2.98Å; E157-K160 WeakPolarHBondContact O-CB 3.46Å; E157-K160 PolarHBondContact O-N 3.01Å; E157-K160 WeakPolarHBondContact OE1-CE 3.28Å; E157-K160 IonicContact OE1-NZ 2.71Å; E157-K160 PolarHBondContact OE1-NZ 2.97Å; E157-K160 IonicContact OE2-NZ 2.68Å; E157-E161 WeakPolarHBondContact O-CG 3.34Å; E157-E161 PolarHBondContact O-N 3.5Å; E157-E161 VanDerWaalsContact O-N 3.15Å |
| 158 | E | 59.2 | Low | 51.6 | Low | 90 Ų | 90 | 112.7 Ų | 112.7 | 42% | 0.421 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -75.9 | -41.7 | 177.9 | -176.7 | 176.3 | -169.6 | 0 | 0 | 111.5 | L154 S155 K160 E161 L162 | L154-E158 VanDerWaalsContact CA-OE2 3.23Å; L154-E158 WeakPolarHBondContact CA-OE2 3.43Å; L154-E158 HydrophobicContact CB-CB 4.34Å; L154-E158 HydrophobicContact CB-CG 4.16Å; L154-E158 HydrophobicContact CD2-CG 4.37Å; L154-E158 WeakPolarHBondContact CD2-OE1 3.35Å; S155-E158 PolarHBondContact N-OE2 2.86Å; S155-E158 WeakPolarHBondContact O-CB 3.21Å; S155-E158 PolarHBondContact O-N 3.08Å; E158-K160 PolarHBondContact O-N 3.12Å; E158-K160 VanDerWaalsContact O-N 3.11Å; E158-E161 PolarHBondContact O-N 3.47Å; E158-L162 PolarHBondContact O-N 3.27Å; E158-L162 VanDerWaalsContact O-N 3.15Å |
| 159 | S | 64.8 | Low | 50.9 | Low | 48 Ų | 48 | 112.3 Ų | 112.3 | 34% | 0.336 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -56.6 | -28.3 | 170.7 | 79.5 | 0 | 0 | 0 | 0 | 112.6 | S155 Y156 I163 | S155-S159 PolarHBondContact O-N 3.21Å; Y156-S159 PolarHBondContact O-OG 3.14Å; S159-I163 WeakPolarHBondContact O-CD1 3.22Å; S159-I163 WeakPolarHBondContact O-CG1 3.35Å |
| 160 | K | 60.9 | Low | 50.2 | Low | 93 Ų | 93 | 119.5 Ų | 119.5 | 40% | 0.404 | 64% | 0.641 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.5 | -10.9 | -177.8 | -175.2 | 179.2 | 168.7 | -159.5 | 0 | 112.9 | Y156 E157 E158 K164 | Y156-K160 HydrophobicContact CE1-CD 4.18Å; Y156-K160 WeakPolarHBondContact O-CB 3.45Å; Y156-K160 PolarHBondContact O-N 3Å; E157-K160 WeakPolarHBondContact O-CB 3.46Å; E157-K160 PolarHBondContact O-N 3.01Å; E157-K160 WeakPolarHBondContact OE1-CE 3.28Å; E157-K160 IonicContact OE1-NZ 2.71Å; E157-K160 PolarHBondContact OE1-NZ 2.97Å; E157-K160 IonicContact OE2-NZ 2.68Å; E158-K160 PolarHBondContact O-N 3.12Å; E158-K160 VanDerWaalsContact O-N 3.11Å; K160-K164 WeakPolarHBondContact O-CE 3.46Å |
| 161 | E | 60.5 | Low | 50.2 | Low | 119 Ų | 119 | 116.4 Ų | 116.4 | 56% | 0.556 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -41.1 | 164.7 | -57 | -126.6 | 96.9 | 0 | 0 | 110.9 | E157 E158 I163 K164 | E157-E161 WeakPolarHBondContact O-CG 3.34Å; E157-E161 PolarHBondContact O-N 3.5Å; E157-E161 VanDerWaalsContact O-N 3.15Å; E158-E161 PolarHBondContact O-N 3.47Å; E161-I163 PolarHBondContact O-N 2.88Å; E161-I163 VanDerWaalsContact O-N 3.1Å; E161-K164 WeakPolarHBondContact O-CB 3.32Å; E161-K164 WeakPolarHBondContact O-CG 3.29Å; E161-K164 PolarHBondContact O-N 2.97Å; E161-K164 IonicContact OE1-NZ 3.51Å; E161-K164 PolarHBondContact OE1-NZ 3.28Å |
| 162 | L | 57 | Low | 49.7 | Very low | 128 Ų | 128 | 118.6 Ų | 118.6 | 67% | 0.67 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -13.1 | 178.4 | -68.4 | 169.6 | 0 | 0 | 0 | 114.8 | L154 E158 | L154-L162 HydrophobicContact CD1-CD1 3.81Å; E158-L162 PolarHBondContact O-N 3.27Å; E158-L162 VanDerWaalsContact O-N 3.15Å |
| 163 | I | 57.9 | Low | 49.1 | Very low | 140 Ų | 140 | 124.8 Ų | 124.8 | 72% | 0.718 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -5.5 | 177.1 | -63.9 | 166.7 | 0 | 0 | 0 | 111.6 | S159 E161 | S159-I163 WeakPolarHBondContact O-CD1 3.22Å; S159-I163 WeakPolarHBondContact O-CG1 3.35Å; E161-I163 PolarHBondContact O-N 2.88Å; E161-I163 VanDerWaalsContact O-N 3.1Å |
| 164 | K | 53.9 | Low | 48 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 53% | 0.526 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -77.6 | 127.1 | 175 | -60.1 | 172 | -173.3 | 173.9 | 0 | 109.8 | K160 E161 D166 | K160-K164 WeakPolarHBondContact O-CE 3.46Å; E161-K164 WeakPolarHBondContact O-CB 3.32Å; E161-K164 WeakPolarHBondContact O-CG 3.29Å; E161-K164 PolarHBondContact O-N 2.97Å; E161-K164 IonicContact OE1-NZ 3.51Å; E161-K164 PolarHBondContact OE1-NZ 3.28Å; K164-D166 PolarHBondContact O-N 3.05Å; K164-D166 VanDerWaalsContact O-N 3.14Å |
| 165 | P | 45.1 | Very low | 47.3 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 86% | 0.857 | 69% | 0.687 | S | S | * | * | | | trans | -76.6 | 100.8 | 175 | 30.2 | -32.7 | 0 | 0 | 0 | 110.4 | | |
| 166 | D | 41.6 | Very low | 45.9 | Very low | 152 Ų | 152 | 141.6 Ų | 141.6 | 81% | 0.813 | 70% | 0.699 | S | S | * | * | | | trans | -84.8 | 146 | 171.3 | -166.5 | 19.2 | 0 | 0 | 0 | 111.9 | K164 | K164-D166 PolarHBondContact O-N 3.05Å; K164-D166 VanDerWaalsContact O-N 3.14Å |
| 167 | G | 45.3 | Very low | 44.9 | Very low | 56 Ų | 56 | 139.4 Ų | 139.4 | 58% | 0.577 | 71% | 0.706 | S | S | * | * | | | trans | -99.7 | 113.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 168 | N | 39.8 | Very low | 43.4 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 81% | 0.813 | 72% | 0.717 | S | S | * | * | | | trans | 64.1 | 91.4 | 147.8 | -170.1 | 19.8 | 0 | 0 | 0 | 118.3 | | |
| 169 | K | 36.4 | Very low | 41.8 | Very low | 191 Ų | 191 | 142.1 Ų | 142.1 | 83% | 0.83 | 74% | 0.739 | S | S | * | * | | | trans | -142.3 | 139.2 | 156.5 | -64.8 | -176.7 | -176.5 | 158.5 | 0 | 110.8 | | |
| 170 | E | 30.8 | Very low | 40.2 | Very low | 184 Ų | 184 | 148.4 Ų | 148.4 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 153.7 | -176.1 | -74.9 | -170.8 | 101.9 | 0 | 0 | 114.9 | | |
| 171 | P | 40.7 | Very low | 38.5 | Very low | 124 Ų | 124 | 150.1 Ų | 150.1 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 119.8 | 175.8 | 34 | -32.7 | 0 | 0 | 0 | 113.6 | R173 | P171-R173 PolarHBondContact O-N 2.91Š|
| 172 | V | 33.4 | Very low | 37 | Very low | 146 Ų | 146 | 151.6 Ų | 151.6 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 117.4 | 171.4 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 173 | R | 37.2 | Very low | 36.6 | Very low | 229 Ų | 229 | 151.2 Ų | 151.2 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 124.2 | -177.2 | -172.3 | -174.1 | -162.2 | 171.2 | 6.1 | 113.6 | P171 | P171-R173 PolarHBondContact O-N 2.91Š|
| 174 | R | 31.4 | Very low | 35.2 | Very low | 241 Ų | 241 | 149.2 Ų | 149.2 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | | | trans | -134.7 | 160.8 | 154.7 | -78.4 | -157.4 | 172.8 | -150.4 | -1.3 | 112.1 | | |
| 175 | R | 27.9 | Very low | 34 | Very low | 245 Ų | 245 | 148 Ų | 148 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 144.5 | -158.4 | -65.5 | 174.1 | 172.8 | 164 | -4.9 | 114.2 | | |
| 176 | S | 28.3 | Very low | 33.3 | Very low | 110 Ų | 110 | 151 Ų | 151 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 145.2 | 161.7 | -36.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 177 | P | 34.1 | Very low | 32.6 | Very low | 126 Ų | 126 | 151.5 Ų | 151.5 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 150.3 | 152 | -8 | 26.9 | 0 | 0 | 0 | 110.8 | | |
| 178 | V | 25.8 | Very low | 32 | Very low | 117 Ų | 117 | 155.6 Ų | 155.6 | 71% | 0.709 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 143.6 | 175.1 | 172 | 0 | 0 | 0 | 0 | 109.6 | Q180 | V178-Q180 HydrophobicContact CG1-CG 4.03Š|
| 179 | C | 24.6 | Very low | 31.3 | Very low | 130 Ų | 130 | 157 Ų | 157 | 88% | 0.878 | 83% | 0.829 | S | S | * | * | | | trans | -120.8 | 132.2 | 160.9 | -70.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 180 | Q | 31.3 | Very low | 31 | Very low | 181 Ų | 181 | 153.3 Ų | 153.3 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | | | trans | -108.4 | 166.9 | 176 | -59 | 179.9 | 8.8 | 0 | 0 | 110.2 | V178 | V178-Q180 HydrophobicContact CG1-CG 4.03Š|
| 181 | T | 24.7 | Very low | 31.5 | Very low | 128 Ų | 128 | 152.3 Ų | 152.3 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | | | trans | -106.7 | 111 | -175.9 | 34.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 182 | N | 30.6 | Very low | 31 | Very low | 151 Ų | 151 | 156 Ų | 156 | 81% | 0.807 | 82% | 0.815 | S | S | * | * | | | trans | 61.1 | 178.1 | 148.6 | -57.8 | -24.6 | 0 | 0 | 0 | 117.3 | | |
| 183 | P | 48.2 | Very low | 30.6 | Very low | 120 Ų | 120 | 154.2 Ų | 154.2 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | | | cis | -137.9 | -179.4 | -1.8 | 44.3 | -27.4 | 0 | 0 | 0 | 118 | | |
| 184 | A | 28.3 | Very low | 30.5 | Very low | 97 Ų | 97 | 147.7 Ų | 147.7 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | | | trans | 86.8 | 161.4 | 140.5 | 0 | 0 | 0 | 0 | 0 | 124.3 | | |
| 185 | A | 27.9 | Very low | 30.6 | Very low | 95 Ų | 95 | 145.1 Ų | 145.1 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | | | trans | 67.3 | 135.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 186 | Q | 31.9 | Very low | 30.6 | Very low | 195 Ų | 195 | 139.5 Ų | 139.5 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | | | cis | 74 | 105.9 | 9.2 | -68.4 | -165.7 | -7.8 | 0 | 0 | 120.3 | | |
| 187 | L | 25.6 | Very low | 30.8 | Very low | 163 Ų | 163 | 139.4 Ų | 139.4 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | trans | -162 | 123.1 | 139.5 | -152 | 68.2 | 0 | 0 | 0 | 107.1 | | |
| 188 | L | 34 | Very low | 30.6 | Very low | 143 Ų | 143 | 139 Ų | 139 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | | | | 79.3 | 119.4 | 59.7 | -122.8 | 178.7 | 0 | 0 | 0 | 114.7 | | |
| 189 | E | 24.5 | Very low | 30.9 | Very low | 180 Ų | 180 | 141.4 Ų | 141.4 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | | | trans | -163.9 | 160.4 | 151.4 | -103.8 | -47.4 | 141.3 | 0 | 0 | 110.2 | | |
| 190 | D | 30.8 | Very low | 30.9 | Very low | 114 Ų | 114 | 141 Ų | 141 | 61% | 0.61 | 78% | 0.778 | S | S | * | * | | | trans | -124.7 | -164.4 | -165.8 | -151 | -90.6 | 0 | 0 | 0 | 116.2 | | |
| 191 | K | 40.1 | Very low | 30.6 | Very low | 164 Ų | 164 | 140 Ų | 140 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | | | trans | -99.5 | 150.5 | -150.9 | -53.1 | 158.6 | -156.5 | 68.9 | 0 | 116.2 | | |
| 192 | K | 29.7 | Very low | 30.8 | Very low | 200 Ų | 200 | 137 Ų | 137 | 87% | 0.87 | 77% | 0.767 | S | S | * | * | | | trans | -171.9 | 156.8 | 134.5 | -115.3 | 179.4 | 177.6 | 176.5 | 0 | 110.8 | | |
| 193 | S | 25.2 | Very low | 30.6 | Very low | 109 Ų | 109 | 136 Ų | 136 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | | | cis | -137.9 | 179.7 | 4.8 | -66.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 194 | A | 34.5 | Very low | 29.7 | Very low | 92 Ų | 92 | 135.4 Ų | 135.4 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | | | trans | -126.1 | 172.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 195 | K | 33.6 | Very low | 29.6 | Very low | 188 Ų | 188 | 140.9 Ų | 140.9 | 82% | 0.817 | 76% | 0.761 | S | S | * | * | | | trans | 121.6 | 141.7 | 162.1 | -72.7 | -179.5 | 155.1 | -79.9 | 0 | 114.1 | | |
| 196 | D | 29.6 | Very low | 29.5 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 67% | 0.674 | 75% | 0.749 | S | S | * | * | | | cis | -150.6 | -175.7 | -4.8 | -132.4 | -49.8 | 0 | 0 | 0 | 113.1 | | |
| 197 | C | 31.7 | Very low | 29.4 | Very low | 108 Ų | 108 | 142.1 Ų | 142.1 | 73% | 0.73 | 75% | 0.75 | S | S | * | * | | | trans | -67.6 | 171.2 | -175.9 | -140.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 198 | V | 30.2 | Very low | 29.5 | Very low | 118 Ų | 118 | 143 Ų | 143 | 72% | 0.715 | 75% | 0.747 | S | S | * | * | | | cis | -152.3 | 167.3 | 35.1 | -176.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 199 | Q | 31.3 | Very low | 29.8 | Very low | 167 Ų | 167 | 141.9 Ų | 141.9 | 78% | 0.78 | 75% | 0.749 | S | S | * | * | | | trans | -28.9 | 160.7 | 168.4 | -58.1 | 170.7 | -16.6 | 0 | 0 | 117.7 | | |
| 200 | T | 24.3 | Very low | 30 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | | | | -158.4 | 169.1 | 51.9 | 51.9 | 0 | 0 | 0 | 0 | 117.2 | | |
| 201 | D | 26 | Very low | 29.7 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | | | trans | 78.6 | 173.4 | 149.2 | -120.9 | -59.5 | 0 | 0 | 0 | 121.7 | | |
| 202 | A | 27.9 | Very low | 29 | Very low | 67 Ų | 67 | 139.7 Ų | 139.7 | 55% | 0.554 | 75% | 0.75 | S | S | * | * | | | trans | -135.7 | 177.9 | -151.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 203 | T | 27.3 | Very low | 28.8 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | | | trans | 63.8 | 178.1 | 171.3 | 62.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 204 | T | 28.4 | Very low | 29.3 | Very low | 107 Ų | 107 | 136.4 Ų | 136.4 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | | | cis | -154.5 | 156.9 | 9.2 | -17.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 205 | R | 27.1 | Very low | 28.7 | Very low | 212 Ų | 212 | 139.2 Ų | 139.2 | 80% | 0.8 | 75% | 0.752 | S | S | * | * | | | trans | 45.7 | 128.9 | 135.1 | -81 | -167.9 | 112.4 | 145.5 | 9.7 | 122.2 | | |
| 206 | D | 26.1 | Very low | 29.4 | Very low | 102 Ų | 102 | 135.3 Ų | 135.3 | 55% | 0.545 | 75% | 0.746 | S | S | . | * | | | | 98.3 | 112 | 63.3 | -169.7 | -2 | 0 | 0 | 0 | 112.1 | | |
| 207 | K | 30.5 | Very low | 29.8 | Very low | 214 Ų | 214 | 134.9 Ų | 134.9 | 93% | 0.93 | 75% | 0.75 | S | S | * | * | | | trans | -142.2 | 80.6 | 166.2 | -83.8 | -163.8 | 176.4 | 180 | 0 | 112.1 | | |
| 208 | K | 27.6 | Very low | 29.5 | Very low | 182 Ų | 182 | 138.4 Ų | 138.4 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | | | trans | -58.3 | 162.6 | 148.7 | 177.9 | -179.3 | 177 | -175 | 0 | 110.3 | | |
| 209 | P | 39.5 | Very low | 29.2 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | | | cis | -124.1 | -167.9 | 12.2 | 17.8 | 9.5 | 0 | 0 | 0 | 115.8 | | |
| 210 | A | 28.1 | Very low | 28.9 | Very low | 93 Ų | 93 | 140.7 Ų | 140.7 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | trans | -117.6 | 158.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 211 | E | 25.7 | Very low | 29.7 | Very low | 158 Ų | 158 | 140 Ų | 140 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | | | trans | -167 | 155.7 | 141.1 | -95.5 | -125 | 99 | 0 | 0 | 113.6 | | |
| 212 | K | 25.5 | Very low | 29.6 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | | | trans | 14.7 | 129.8 | 163.2 | -59.8 | -173.7 | -175.1 | 80.8 | 0 | 124.4 | | |
| 213 | S | 25.7 | Very low | 29.7 | Very low | 119 Ų | 119 | 145.6 Ų | 145.6 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | | | trans | 63.8 | 166 | 136.4 | -90.2 | 0 | 0 | 0 | 0 | 121.3 | | |
| 214 | P | 34.3 | Very low | 29.7 | Very low | 122 Ų | 122 | 147.1 Ų | 147.1 | 79% | 0.792 | 75% | 0.754 | S | S | * | * | | | cis | -129.5 | -172 | -3.2 | 39.4 | -21.2 | 0 | 0 | 0 | 116.1 | | |
| 215 | D | 22.1 | Very low | 29.6 | Very low | 150 Ų | 150 | 149.2 Ų | 149.2 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | | | trans | -68.7 | 179.8 | 165.5 | -104.7 | -38.1 | 0 | 0 | 0 | 114.1 | | |
| 216 | P | 49.6 | Very low | 29.7 | Very low | 107 Ų | 107 | 144.5 Ų | 144.5 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | | | cis | -126.7 | -178.4 | -44.2 | 41.2 | -25.5 | 0 | 0 | 0 | 111 | | |
| 217 | P | 37 | Very low | 29.8 | Very low | 116 Ų | 116 | 146.2 Ų | 146.2 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | | | | -145.6 | 170.2 | 82.7 | 24.6 | 1.3 | 0 | 0 | 0 | 113.7 | | |
| 218 | K | 24.6 | Very low | 30.2 | Very low | 183 Ų | 183 | 142 Ų | 142 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | | | | 43.4 | 143.1 | 77.9 | -61 | -177.1 | 177 | -175.8 | 0 | 115.3 | | |
| 219 | E | 24.9 | Very low | 30.1 | Very low | 170 Ų | 170 | 137.7 Ų | 137.7 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | | | cis | -153.9 | -170.2 | 25.9 | -150.5 | 143.7 | -120.1 | 0 | 0 | 114.6 | | |
| 220 | L | 25.1 | Very low | 29.6 | Very low | 162 Ų | 162 | 139 Ų | 139 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | | | trans | -118.7 | -165.5 | -179.6 | -66.7 | 164.9 | 0 | 0 | 0 | 109.9 | | |
| 221 | P | 40.1 | Very low | 29.6 | Very low | 108 Ų | 108 | 141.5 Ų | 141.5 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | cis | -138 | -172.5 | -8.8 | 42.3 | -23.4 | 0 | 0 | 0 | 116.8 | | |
| 222 | R | 24 | Very low | 30.2 | Very low | 213 Ų | 213 | 139.5 Ų | 139.5 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | trans | 72.3 | 149.4 | 168.4 | -71.7 | -178.2 | 177.9 | -132.6 | 8.5 | 116.5 | | |
| 223 | H | 30.2 | Very low | 30.1 | Very low | 131 Ų | 131 | 139.6 Ų | 139.6 | 61% | 0.606 | 77% | 0.77 | S | S | * | * | | | cis | -151.4 | 147.9 | 10.2 | -133.4 | -51.4 | 0 | 0 | 0 | 113.8 | | |
| 224 | K | 27.2 | Very low | 30.3 | Very low | 160 Ų | 160 | 143.8 Ų | 143.8 | 70% | 0.696 | 77% | 0.773 | S | S | * | * | | | trans | 61.9 | 116 | 150.9 | -98.5 | 173 | 162.9 | -88.3 | 0 | 122.3 | | |
| 225 | E | 26.2 | Very low | 30.3 | Very low | 152 Ų | 152 | 145.1 Ų | 145.1 | 71% | 0.71 | 78% | 0.779 | S | S | * | * | | | | 85.1 | 100.8 | 117.9 | -160.7 | 168 | 156.7 | 0 | 0 | 122.5 | | |
| 226 | S | 29.4 | Very low | 30.7 | Very low | 113 Ų | 113 | 149 Ų | 149 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | | | | 175.6 | 140.1 | 116.5 | 40 | 0 | 0 | 0 | 0 | 115.8 | | |
| 227 | V | 29 | Very low | 29.8 | Very low | 138 Ų | 138 | 154.1 Ų | 154.1 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | | | trans | 8.3 | 131.1 | 144.8 | -173.3 | 0 | 0 | 0 | 0 | 117.7 | | |
| 228 | P | 37.8 | Very low | 29.5 | Very low | 126 Ų | 126 | 152.9 Ų | 152.9 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | | -143.3 | -173.4 | 58 | 41 | -21.4 | 0 | 0 | 0 | 117.3 | | |
| 229 | A | 25.4 | Very low | 29.7 | Very low | 90 Ų | 90 | 152.6 Ų | 152.6 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | | | trans | -101.5 | 153.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 230 | T | 29.5 | Very low | 29.8 | Very low | 149 Ų | 149 | 152.7 Ų | 152.7 | 91% | 0.914 | 78% | 0.783 | S | S | * | * | | | trans | -166.7 | 152.8 | 135.5 | 9.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 231 | E | 29.3 | Very low | 29.9 | Very low | 144 Ų | 144 | 149.1 Ų | 149.1 | 67% | 0.673 | 78% | 0.777 | S | S | * | * | | | trans | -55.1 | 166.3 | 169 | -87.3 | -75.7 | 122.4 | 0 | 0 | 113.2 | M233 | E231-M233 VanDerWaalsContact OE2-CG 3.3Å; E231-M233 WeakPolarHBondContact OE2-CG 3.09Å; E231-M233 PolarHBondContact OE2-N 2.98Å; E231-M233 VanDerWaalsContact OE2-N 3.12Å |
| 232 | P | 37.5 | Very low | 29.5 | Very low | 116 Ų | 116 | 152.5 Ų | 152.5 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | | | cis | -141.2 | 157.9 | 29.6 | 40.4 | -20.6 | 0 | 0 | 0 | 121.4 | | |
| 233 | M | 23.8 | Very low | 29.8 | Very low | 163 Ų | 163 | 148 Ų | 148 | 80% | 0.803 | 78% | 0.775 | S | S | * | * | | | trans | 16.1 | 126.6 | 148 | -58 | -166.4 | 175 | 0 | 0 | 121.7 | E231 | E231-M233 VanDerWaalsContact OE2-CG 3.3Å; E231-M233 WeakPolarHBondContact OE2-CG 3.09Å; E231-M233 PolarHBondContact OE2-N 2.98Å; E231-M233 VanDerWaalsContact OE2-N 3.12Å |
| 234 | K | 29.8 | Very low | 29.9 | Very low | 206 Ų | 206 | 151.5 Ų | 151.5 | 90% | 0.896 | 78% | 0.783 | S | S | * | * | | | trans | -139.8 | 138.4 | 144.1 | -77.1 | 180 | -179.4 | 169.7 | 0 | 109.4 | | |
| 235 | T | 33.4 | Very low | 30 | Very low | 150 Ų | 150 | 151.9 Ų | 151.9 | 92% | 0.92 | 79% | 0.785 | S | S | * | * | | | trans | -138.4 | 138.8 | 165.8 | 41.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 236 | R | 31.7 | Very low | 30.3 | Very low | 233 Ų | 233 | 151.3 Ų | 151.3 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | | | trans | -149.3 | 98.7 | 172.5 | -178.6 | -167.5 | 179.2 | -159.6 | -0.3 | 110.2 | | |
| 237 | R | 29.8 | Very low | 30.3 | Very low | 214 Ų | 214 | 150.4 Ų | 150.4 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | | | trans | 61.2 | 152 | 144.1 | -150.7 | -177.7 | -159.4 | -130.8 | 6.5 | 119.4 | | |
| 238 | S | 30.5 | Very low | 30.2 | Very low | 89 Ų | 89 | 148.7 Ų | 148.7 | 62% | 0.622 | 78% | 0.78 | S | S | * | * | | | trans | 71.6 | 147.7 | 156.7 | 18.6 | 0 | 0 | 0 | 0 | 117.5 | | |
| 239 | Q | 30.5 | Very low | 29.8 | Very low | 177 Ų | 177 | 146.8 Ų | 146.8 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | | | cis | -162.3 | 168.1 | -12.5 | -124.3 | 161.9 | -24.2 | 0 | 0 | 112.4 | | |
| 240 | H | 25.8 | Very low | 30 | Very low | 173 Ų | 173 | 148.5 Ų | 148.5 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | | | trans | -23 | 140.4 | 168.1 | -111 | -109.5 | 0 | 0 | 0 | 121.7 | | |
| 241 | A | 27.8 | Very low | 30.2 | Very low | 87 Ų | 87 | 149.5 Ų | 149.5 | 72% | 0.719 | 77% | 0.771 | S | S | * | * | | | trans | -178.9 | 132.1 | 134.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 242 | E | 32.2 | Very low | 30 | Very low | 179 Ų | 179 | 148.7 Ų | 148.7 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | | | | 67.4 | 136.6 | 63.5 | -65.3 | -170.3 | 159.6 | 0 | 0 | 113.3 | | |
| 243 | D | 29.1 | Very low | 29.5 | Very low | 117 Ų | 117 | 146.1 Ų | 146.1 | 63% | 0.626 | 77% | 0.77 | S | S | * | * | | | cis | -157.1 | 175.6 | 3.8 | -179.1 | 24.1 | 0 | 0 | 0 | 110 | | |
| 244 | R | 32 | Very low | 30.7 | Very low | 206 Ų | 206 | 144.1 Ų | 144.1 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | | | trans | 57.1 | 134.9 | 157.5 | -84.2 | 161.9 | 159.5 | 94.8 | -10 | 120.5 | | |
| 245 | K | 29 | Very low | 30.6 | Very low | 168 Ų | 168 | 141 Ų | 141 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | | | cis | 100.2 | 121.6 | 19.7 | -165.3 | -133.4 | 179.3 | -175.2 | 0 | 114.6 | | |
| 246 | L | 32.4 | Very low | 30.7 | Very low | 140 Ų | 140 | 142.4 Ų | 142.4 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | | | trans | 77 | 154.1 | 170.6 | -57 | -171.7 | 0 | 0 | 0 | 117.7 | | |
| 247 | S | 29.5 | Very low | 30.8 | Very low | 94 Ų | 94 | 135.4 Ų | 135.4 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | | | cis | -177.8 | 150.9 | -21.4 | 54.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 248 | A | 28.1 | Very low | 31 | Very low | 102 Ų | 102 | 131.9 Ų | 131.9 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | | | trans | 62.2 | 165.9 | 155.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 249 | A | 29.4 | Very low | 31.3 | Very low | 86 Ų | 86 | 131.8 Ų | 131.8 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | | | cis | -155.1 | 164.2 | -25.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 250 | T | 28.5 | Very low | 31.4 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 77% | 0.767 | 77% | 0.766 | S | S | * | * | | | | 161.7 | 169 | 101.1 | -64.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 251 | Q | 33.2 | Very low | 31.8 | Very low | 171 Ų | 171 | 124.7 Ų | 124.7 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | | | trans | -51.5 | 171.3 | 170.7 | -48.3 | 151.4 | 35.2 | 0 | 0 | 113.3 | | |
| 252 | T | 25.7 | Very low | 32 | Very low | 127 Ų | 127 | 129.3 Ų | 129.3 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | | | cis | -153.2 | -179.6 | 30.8 | 57.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 253 | G | 26.5 | Very low | 31.8 | Very low | 61 Ų | 61 | 125.4 Ų | 125.4 | 63% | 0.629 | 76% | 0.758 | S | S | * | * | | | trans | -102.9 | -148.2 | 155.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 254 | P | 49.4 | Very low | 32.1 | Very low | 121 Ų | 121 | 126.7 Ų | 126.7 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | | | cis | -147.1 | -168.4 | -9.4 | 45.4 | -26.4 | 0 | 0 | 0 | 116.3 | | |
| 255 | V | 28.6 | Very low | 31.8 | Very low | 140 Ų | 140 | 124.2 Ų | 124.2 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | | | trans | 79.6 | 153.9 | 155.3 | 173.7 | 0 | 0 | 0 | 0 | 121.1 | | |
| 256 | M | 34.6 | Very low | 31.7 | Very low | 181 Ų | 181 | 120.4 Ų | 120.4 | 89% | 0.892 | 76% | 0.756 | S | S | * | * | | | trans | -117.9 | 167.2 | -175.8 | -40.5 | 168.6 | -72.2 | 0 | 0 | 112.7 | | |
| 257 | A | 35.2 | Very low | 31.3 | Very low | 85 Ų | 85 | 122.7 Ų | 122.7 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | | | trans | -166.8 | 136.9 | 154.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 258 | T | 33.8 | Very low | 31.2 | Very low | 140 Ų | 140 | 127.1 Ų | 127.1 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | | | trans | 63.4 | 153 | 140.5 | 53.4 | 0 | 0 | 0 | 0 | 123.4 | | |
| 259 | A | 35.2 | Very low | 31.8 | Very low | 88 Ų | 88 | 127 Ų | 127 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | cis | -173.3 | 167.4 | -17.2 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 260 | A | 34.2 | Very low | 31.6 | Very low | 104 Ų | 104 | 127 Ų | 127 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | | | trans | 72.2 | 145 | 152.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 261 | A | 34 | Very low | 31.5 | Very low | 97 Ų | 97 | 129.6 Ų | 129.6 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | | | cis | -157.3 | -158.1 | -6.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 262 | K | 32.3 | Very low | 31.1 | Very low | 183 Ų | 183 | 133 Ų | 133 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | | | cis | -166.2 | 166 | 8.9 | -148.9 | -155.7 | 169 | -175.9 | 0 | 112.8 | | |
| 263 | T | 27.9 | Very low | 31 | Very low | 97 Ų | 97 | 132.1 Ų | 132.1 | 60% | 0.595 | 77% | 0.769 | S | S | * | * | | | trans | 5.6 | 136.7 | 147.2 | -56.2 | 0 | 0 | 0 | 0 | 120 | | |
| 264 | L | 34.6 | Very low | 31.6 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | | | cis | -149.1 | -125.4 | -10.8 | -158.2 | 68.4 | 0 | 0 | 0 | 112.5 | | |
| 265 | E | 25.1 | Very low | 30.4 | Very low | 154 Ų | 154 | 135 Ų | 135 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | | | cis | -152.5 | 168.6 | 16 | -96.1 | -52.5 | 153 | 0 | 0 | 114.6 | | |
| 266 | S | 27.1 | Very low | 30.4 | Very low | 88 Ų | 88 | 131.6 Ų | 131.6 | 62% | 0.615 | 77% | 0.767 | S | S | * | * | | | trans | 37.2 | 115.7 | 170.6 | -129.7 | 0 | 0 | 0 | 0 | 125.5 | | |
| 267 | E | 24 | Very low | 30.1 | Very low | 187 Ų | 187 | 128.4 Ų | 128.4 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | | | trans | 85.5 | 160.2 | 133.8 | -82.9 | -178.1 | 131.3 | 0 | 0 | 126.7 | | |
| 268 | K | 27.2 | Very low | 29.8 | Very low | 188 Ų | 188 | 130.6 Ų | 130.6 | 82% | 0.817 | 76% | 0.758 | S | S | * | * | | | trans | -158.2 | -173.8 | -159.8 | -138.3 | -159.1 | 150.1 | -170.8 | 0 | 106.4 | | |
| 269 | P | 41.8 | Very low | 29.6 | Very low | 99 Ų | 99 | 130.8 Ų | 130.8 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | | | cis | -141.2 | -172.3 | -6.2 | 45.3 | -26.7 | 0 | 0 | 0 | 117.6 | | |
| 270 | A | 25.3 | Very low | 29.2 | Very low | 85 Ų | 85 | 133.6 Ų | 133.6 | 70% | 0.702 | 75% | 0.746 | S | S | * | * | | | trans | 71.8 | 121.6 | 155.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 271 | E | 24.9 | Very low | 28.8 | Very low | 180 Ų | 180 | 135.6 Ų | 135.6 | 84% | 0.841 | 74% | 0.738 | S | S | * | * | | | | 86.3 | 111.8 | 52 | -85.7 | -159.7 | 91.5 | 0 | 0 | 115.5 | | |
| 272 | R | 25.7 | Very low | 28.4 | Very low | 244 Ų | 244 | 139 Ų | 139 | 92% | 0.921 | 74% | 0.737 | S | S | * | * | | | | -172.2 | 142.4 | 115.2 | -101.7 | 170.2 | -172.2 | -163.3 | 1.4 | 111.9 | | |
| 273 | S | 24.1 | Very low | 28.1 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | | | trans | -88.4 | 177 | 157.2 | 62 | 0 | 0 | 0 | 0 | 109.5 | | |
| 274 | P | 37.8 | Very low | 27.9 | Very low | 103 Ų | 103 | 142 Ų | 142 | 67% | 0.669 | 75% | 0.745 | S | S | * | * | | | | -154.1 | 179.1 | 83.4 | 40.8 | -21.7 | 0 | 0 | 0 | 116.2 | | |
| 275 | T | 25.5 | Very low | 27.6 | Very low | 138 Ų | 138 | 142.7 Ų | 142.7 | 85% | 0.847 | 74% | 0.744 | S | S | * | * | | | trans | 61.2 | 144.9 | 159.2 | 44.7 | 0 | 0 | 0 | 0 | 118.6 | | |
| 276 | G | 27.6 | Very low | 27.6 | Very low | 70 Ų | 70 | 143.8 Ų | 143.8 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | | | cis | 164.8 | 167.6 | 2.7 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 277 | T | 29.3 | Very low | 27.4 | Very low | 114 Ų | 114 | 146.3 Ų | 146.3 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | | | cis | -168 | 121.8 | 15.9 | -74.9 | 0 | 0 | 0 | 0 | 110 | | |
| 278 | L | 28.1 | Very low | 27.4 | Very low | 131 Ų | 131 | 143.5 Ų | 143.5 | 69% | 0.686 | 74% | 0.74 | S | S | * | * | | | trans | 62 | 159.1 | 154 | -55.1 | 174.4 | 0 | 0 | 0 | 119.7 | | |
| 279 | H | 29 | Very low | 27.3 | Very low | 144 Ų | 144 | 143 Ų | 143 | 67% | 0.667 | 74% | 0.741 | S | S | * | * | | | cis | -129.9 | 148.9 | -15.4 | -96.9 | -64 | 0 | 0 | 0 | 106.2 | | |
| 280 | E | 27.1 | Very low | 26.5 | Very low | 147 Ų | 147 | 146.8 Ų | 146.8 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | | | | 62.6 | 137.6 | 66.8 | -90.7 | 171.5 | 141.4 | 0 | 0 | 113.9 | | |
| 281 | E | 27.1 | Very low | 26.6 | Very low | 146 Ų | 146 | 151.4 Ų | 151.4 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | | | cis | -131.7 | 145.9 | 18.1 | -81.9 | -165.2 | 78.9 | 0 | 0 | 116.5 | | |
| 282 | Q | 25.5 | Very low | 26.7 | Very low | 169 Ų | 169 | 151.2 Ų | 151.2 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | | | trans | 60.2 | 148.8 | 141.2 | -60.9 | -166.8 | 44.3 | 0 | 0 | 123.4 | | |
| 283 | Q | 25.1 | Very low | 27.7 | Very low | 179 Ų | 179 | 144.3 Ų | 144.3 | 84% | 0.836 | 74% | 0.74 | S | S | * | * | | | trans | -130.5 | 169.5 | -178.4 | -52.6 | 175.1 | -28.2 | 0 | 0 | 110 | | |
| 284 | K | 24.1 | Very low | 28.3 | Very low | 164 Ų | 164 | 144.2 Ų | 144.2 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | | | trans | 80.2 | 102.3 | 133.3 | -162 | -179.4 | -176.5 | -158.8 | 0 | 120.9 | | |
| 285 | E | 28.2 | Very low | 27.7 | Very low | 159 Ų | 159 | 147.3 Ų | 147.3 | 74% | 0.743 | 74% | 0.742 | S | S | * | * | | | | 42.2 | 109.6 | 115.5 | 173.2 | -163.6 | -120.8 | 0 | 0 | 120.3 | | |
| 286 | E | 24.2 | Very low | 28 | Very low | 177 Ų | 177 | 145.6 Ų | 145.6 | 83% | 0.827 | 74% | 0.736 | S | S | * | * | | | trans | -175.8 | 168.8 | 138 | -95.4 | -158.3 | 118.4 | 0 | 0 | 106.9 | | |
| 287 | K | 24.1 | Very low | 28.8 | Very low | 140 Ų | 140 | 147.4 Ų | 147.4 | 61% | 0.609 | 74% | 0.735 | S | S | * | * | | | cis | -179.6 | 150.3 | -30.6 | 173.3 | 179 | 166.5 | -68.6 | 0 | 106.8 | | |
| 288 | D | 23.3 | Very low | 28.8 | Very low | 129 Ų | 129 | 147 Ų | 147 | 69% | 0.69 | 73% | 0.732 | S | S | * | * | | | trans | 63.5 | 165.8 | -178.9 | -53.4 | -34.1 | 0 | 0 | 0 | 114.2 | | |
| 289 | E | 25.9 | Very low | 28.8 | Very low | 177 Ų | 177 | 149.4 Ų | 149.4 | 83% | 0.827 | 74% | 0.737 | S | S | * | * | | | cis | -129.1 | 157.4 | 12.1 | -83.5 | -173.3 | 141.6 | 0 | 0 | 115 | | |
| 290 | E | 24.9 | Very low | 28.6 | Very low | 178 Ų | 178 | 152.3 Ų | 152.3 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | | | trans | 31.3 | 118.9 | 134 | -155.9 | 151.9 | 116.1 | 0 | 0 | 121.9 | | |
| 291 | E | 28.1 | Very low | 28.6 | Very low | 183 Ų | 183 | 150.5 Ų | 150.5 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | | | | -169.4 | 163.6 | 99.8 | -131.4 | -164.6 | 138.8 | 0 | 0 | 113.9 | | |
| 292 | K | 26.4 | Very low | 29.8 | Very low | 176 Ų | 176 | 148.9 Ų | 148.9 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | | | trans | -163.1 | 152.2 | 178.7 | -160.2 | -140.2 | 172.8 | -167.8 | 0 | 104.9 | | |
| 293 | P | 45.6 | Very low | 30.7 | Very low | 98 Ų | 98 | 145.9 Ų | 145.9 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | | | cis | -132.2 | -141.3 | 14.9 | 39.2 | -13.7 | 0 | 0 | 0 | 110.1 | | |
| 294 | P | 37.9 | Very low | 30.8 | Very low | 107 Ų | 107 | 145 Ų | 145 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | | | cis | -134 | 143.5 | -9.3 | 36.5 | -15.8 | 0 | 0 | 0 | 119.2 | | |
| 295 | E | 25.7 | Very low | 31 | Very low | 167 Ų | 167 | 146.6 Ų | 146.6 | 78% | 0.78 | 76% | 0.756 | S | S | * | * | | | trans | 21.7 | 128.4 | 130.7 | -81.4 | -171.4 | 103.4 | 0 | 0 | 123.8 | | |
| 296 | S | 31.3 | Very low | 31.3 | Very low | 102 Ų | 102 | 144.2 Ų | 144.2 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | | | | 90.3 | 166.5 | 123.6 | 84.1 | 0 | 0 | 0 | 0 | 119.7 | | |
| 297 | P | 44.9 | Very low | 31.4 | Very low | 108 Ų | 108 | 143.5 Ų | 143.5 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | | | cis | -148 | -165.7 | -45 | 38 | -18.3 | 0 | 0 | 0 | 116 | | |
| 298 | V | 27.8 | Very low | 31.5 | Very low | 105 Ų | 105 | 141 Ų | 141 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | | | trans | 114.3 | 91.8 | 134.7 | 150 | 0 | 0 | 0 | 0 | 121.4 | | |
| 299 | K | 28.2 | Very low | 31.7 | Very low | 182 Ų | 182 | 142.1 Ų | 142.1 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | | | | 58 | 150.9 | 123.6 | -55.6 | 171.7 | -170.1 | 165.8 | 0 | 123.8 | | |
| 300 | K | 26.2 | Very low | 31.8 | Very low | 205 Ų | 205 | 139.5 Ų | 139.5 | 89% | 0.891 | 76% | 0.762 | S | S | * | * | | | trans | 102.6 | 157 | 151.8 | -74.3 | 172.6 | 179 | 179.2 | 0 | 118.4 | | |
| 301 | S | 25.7 | Very low | 32 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | | | trans | -146.2 | -147.4 | -160.2 | 45.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 302 | P | 52.8 | Low | 31.9 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | | | | -87 | -158.2 | -124.9 | 45 | -29.5 | 0 | 0 | 0 | 112.9 | | |
| 303 | P | 45.3 | Very low | 31.9 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | | | cis | -145.3 | -164.4 | 7.9 | 36.8 | -11.2 | 0 | 0 | 0 | 117.3 | | |
| 304 | L | 26.8 | Very low | 31.2 | Very low | 161 Ų | 161 | 137.8 Ų | 137.8 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | | | trans | 129.7 | 147.3 | 144.4 | -66.3 | 177.7 | 0 | 0 | 0 | 117 | | |
| 305 | K | 27.2 | Very low | 30.6 | Very low | 197 Ų | 197 | 139.2 Ų | 139.2 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | | | trans | -118.5 | 152.3 | 156.6 | -61 | -177.4 | 176.1 | -176.6 | 0 | 106.2 | | |
| 306 | P | 35.4 | Very low | 30.6 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | | | | -159.8 | 155.9 | 88.5 | 40.5 | -20.5 | 0 | 0 | 0 | 119.2 | | |
| 307 | I | 26.2 | Very low | 30.3 | Very low | 163 Ų | 163 | 138.5 Ų | 138.5 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | | | trans | 68.9 | 144.9 | 135.4 | -68.7 | 169 | 0 | 0 | 0 | 122.5 | | |
| 308 | A | 26.9 | Very low | 29.3 | Very low | 88 Ų | 88 | 138 Ų | 138 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | trans | 74.4 | 156.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 309 | D | 26.9 | Very low | 29.2 | Very low | 152 Ų | 152 | 138.1 Ų | 138.1 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | | | cis | -168.1 | -169.6 | -40.8 | -144.8 | -65.2 | 0 | 0 | 0 | 108.6 | | |
| 310 | V | 28.2 | Very low | 29.1 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | | | trans | 74.5 | 84.7 | 164.2 | -164.4 | 0 | 0 | 0 | 0 | 118.9 | | |
| 311 | K | 27.8 | Very low | 29.5 | Very low | 176 Ų | 176 | 136.6 Ų | 136.6 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | | | | 36.5 | 134.9 | 104.7 | -147.4 | 177.8 | 178.5 | -81.2 | 0 | 121.7 | | |
| 312 | D | 27.7 | Very low | 29.5 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 65% | 0.647 | 77% | 0.769 | S | S | * | * | | | trans | 92.8 | 159.6 | 140.5 | -112.3 | -42.7 | 0 | 0 | 0 | 125.1 | | |
| 313 | D | 26.2 | Very low | 28.3 | Very low | 148 Ų | 148 | 134.7 Ų | 134.7 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | trans | 89.3 | 165.3 | 153 | -106.3 | -55.2 | 0 | 0 | 0 | 123.7 | | |
| 314 | Q | 29.1 | Very low | 27.3 | Very low | 154 Ų | 154 | 132.9 Ų | 132.9 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | | | trans | -143.2 | 164 | -143.7 | -159.3 | -170.9 | 104.2 | 0 | 0 | 113.4 | | |
| 315 | L | 27.2 | Very low | 27.3 | Very low | 137 Ų | 137 | 132.2 Ų | 132.2 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | | | trans | 77.3 | 111.6 | 145.2 | -147.6 | 67.9 | 0 | 0 | 0 | 120.9 | | |
| 316 | V | 25.2 | Very low | 27.4 | Very low | 123 Ų | 123 | 131.3 Ų | 131.3 | 75% | 0.745 | 77% | 0.771 | S | S | * | * | | | trans | 69.2 | 136.9 | 137.9 | 175.5 | 0 | 0 | 0 | 0 | 117 | | |
| 317 | T | 24.5 | Very low | 27 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | | | | -159.8 | 165.7 | 59.6 | -34.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 318 | A | 24 | Very low | 27.1 | Very low | 96 Ų | 96 | 131.4 Ų | 131.4 | 79% | 0.793 | 77% | 0.766 | S | S | * | * | | | trans | -59.1 | 163.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 319 | A | 24.8 | Very low | 27 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 90% | 0.901 | 77% | 0.766 | S | S | * | * | | | trans | -151.1 | 149.1 | 135 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 320 | R | 26.9 | Very low | 26.9 | Very low | 231 Ų | 231 | 130.1 Ų | 130.1 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | | | trans | -143.2 | 141 | 176.6 | -172.9 | -166.5 | -176.8 | -153.2 | 2.6 | 109.5 | | |
| 321 | P | 35.4 | Very low | 26.9 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | | | | -145.7 | 174.1 | 128.4 | 31.1 | -12.7 | 0 | 0 | 0 | 113 | | |
| 322 | A | 25.4 | Very low | 27.7 | Very low | 81 Ų | 81 | 130 Ų | 130 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | | | cis | -172.8 | 174.2 | -30.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 323 | A | 26.3 | Very low | 27.5 | Very low | 101 Ų | 101 | 127.2 Ų | 127.2 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | | | trans | 81.2 | 140.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 324 | G | 24.8 | Very low | 27.4 | Very low | 68 Ų | 68 | 125.3 Ų | 125.3 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | trans | 89.9 | 102.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 325 | D | 28 | Very low | 27.3 | Very low | 147 Ų | 147 | 122.7 Ų | 122.7 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | | | cis | 98.3 | 149.6 | 15.1 | -57.1 | -55.3 | 0 | 0 | 0 | 117 | | |
| 326 | E | 28.8 | Very low | 27.5 | Very low | 178 Ų | 178 | 121 Ų | 121 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | trans | 74.6 | 158.7 | -177.5 | -54.7 | -71.8 | 97.8 | 0 | 0 | 119.1 | | |
| 327 | E | 27.7 | Very low | 27.6 | Very low | 160 Ų | 160 | 121.6 Ų | 121.6 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | | | | -153.5 | 177.9 | -76.7 | -143.7 | -164.6 | 74.5 | 0 | 0 | 110.4 | | |
| 328 | V | 27.2 | Very low | 27.8 | Very low | 114 Ų | 114 | 118.9 Ų | 118.9 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | | | trans | 50.7 | 111.1 | 166.3 | -172.8 | 0 | 0 | 0 | 0 | 118.4 | | |
| 329 | A | 25.3 | Very low | 28 | Very low | 86 Ų | 86 | 121.3 Ų | 121.3 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | cis | 84.7 | 121.9 | 41.5 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 330 | S | 25.1 | Very low | 28.1 | Very low | 127 Ų | 127 | 123.2 Ų | 123.2 | 89% | 0.888 | 76% | 0.756 | S | S | * | * | | | trans | -176.5 | 118.3 | 144.3 | -80.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 331 | E | 27.2 | Very low | 28.6 | Very low | 168 Ų | 168 | 123.2 Ų | 123.2 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | | | trans | -87.3 | 162 | 154.9 | -109.3 | -84 | 134 | 0 | 0 | 107.6 | G333 | E331-G333 PolarHBondContact OE2-N 3.17Š|
| 332 | P | 44 | Very low | 28.4 | Very low | 126 Ų | 126 | 126.7 Ų | 126.7 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | | -151.6 | 150.7 | 72.9 | 38.4 | -18 | 0 | 0 | 0 | 118.3 | | |
| 333 | G | 23.6 | Very low | 28.2 | Very low | 62 Ų | 62 | 129.2 Ų | 129.2 | 64% | 0.639 | 77% | 0.766 | S | S | * | * | | | trans | -99.1 | 169.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | E331 | E331-G333 PolarHBondContact OE2-N 3.17Š|
| 334 | A | 25.3 | Very low | 28.2 | Very low | 108 Ų | 108 | 131.5 Ų | 131.5 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | | | trans | -165.7 | 146.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 335 | A | 27.2 | Very low | 28.1 | Very low | 100 Ų | 100 | 133.5 Ų | 133.5 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | | | cis | -150.8 | -179.3 | -5.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 336 | S | 30.9 | Very low | 28.1 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | -83.6 | -178.8 | 179 | 63.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 337 | D | 26.3 | Very low | 28.1 | Very low | 135 Ų | 135 | 131 Ų | 131 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | | | cis | -171.4 | -172.7 | 37.7 | -144.6 | -75.8 | 0 | 0 | 0 | 114.4 | | |
| 338 | A | 30.3 | Very low | 28 | Very low | 76 Ų | 76 | 132.5 Ų | 132.5 | 63% | 0.628 | 76% | 0.764 | S | S | * | * | | | trans | 77.4 | 87.2 | 145.1 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 339 | H | 27.4 | Very low | 28.1 | Very low | 147 Ų | 147 | 130.6 Ų | 130.6 | 68% | 0.681 | 77% | 0.767 | S | S | * | * | | | | 74 | 121.9 | 110.5 | -81.6 | -3.6 | 0 | 0 | 0 | 125.5 | | |
| 340 | K | 27.6 | Very low | 28.1 | Very low | 148 Ų | 148 | 134.7 Ų | 134.7 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | | | | 81.1 | 124.2 | 123 | -76.4 | 172.5 | 175.2 | 148.4 | 0 | 123.6 | | |
| 341 | R | 36 | Very low | 28.5 | Very low | 232 Ų | 232 | 134.3 Ų | 134.3 | 88% | 0.875 | 76% | 0.764 | S | S | * | * | | | trans | 97.3 | 152.6 | 135.5 | -76.7 | 179.1 | -67.1 | -171.8 | -0.6 | 121 | | |
| 342 | K | 31.5 | Very low | 28.7 | Very low | 195 Ų | 195 | 132.1 Ų | 132.1 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | | | trans | -84 | 169.6 | 175.5 | -50.8 | 165.5 | 178.8 | 175.5 | 0 | 110.7 | | |
| 343 | T | 22.6 | Very low | 28.8 | Very low | 135 Ų | 135 | 132.1 Ų | 132.1 | 83% | 0.828 | 76% | 0.762 | S | S | * | * | | | | 174.9 | 164.7 | 110.3 | -65.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 344 | L | 24.8 | Very low | 29.1 | Very low | 149 Ų | 149 | 136.2 Ų | 136.2 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | | | trans | -80.3 | 161.2 | 172.1 | -71.8 | 74.7 | 0 | 0 | 0 | 112 | | |
| 345 | S | 24 | Very low | 29.6 | Very low | 109 Ų | 109 | 138 Ų | 138 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | | | | -175.3 | 111.2 | 125.6 | 54.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 346 | E | 26.5 | Very low | 30 | Very low | 170 Ų | 170 | 144.6 Ų | 144.6 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | | | | 25.1 | 167.3 | 126.5 | -82.6 | 172.1 | 106.8 | 0 | 0 | 126.3 | | |
| 347 | T | 29.4 | Very low | 30.8 | Very low | 103 Ų | 103 | 144.5 Ų | 144.5 | 63% | 0.632 | 75% | 0.753 | S | S | * | * | | | trans | 89.8 | 119.6 | 149 | 35.1 | 0 | 0 | 0 | 0 | 123.5 | | |
| 348 | E | 26.6 | Very low | 31.1 | Very low | 191 Ų | 191 | 149 Ų | 149 | 89% | 0.893 | 76% | 0.76 | S | S | * | * | | | trans | 64.9 | 156.5 | 139.9 | -65 | 156.6 | -171.3 | 0 | 0 | 119.2 | | |
| 349 | G | 28.2 | Very low | 31.2 | Very low | 74 Ų | 74 | 152.6 Ų | 152.6 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | | | cis | 159.4 | 161.9 | -5.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 350 | E | 26.5 | Very low | 31.4 | Very low | 173 Ų | 173 | 150.4 Ų | 150.4 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | | | cis | -171.5 | -173.1 | -17 | -139.8 | -65.6 | 87.2 | 0 | 0 | 108.1 | | |
| 351 | V | 32 | Very low | 31.4 | Very low | 119 Ų | 119 | 148.1 Ų | 148.1 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | | | trans | 95.8 | 151.9 | 159 | -166 | 0 | 0 | 0 | 0 | 119.1 | | |
| 352 | T | 32.6 | Very low | 31.1 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | trans | -115.8 | 177.3 | -175.5 | 58.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 353 | P | 45.7 | Very low | 31 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | | | | -154.8 | -158.8 | 113.2 | 40 | -19.8 | 0 | 0 | 0 | 116 | | |
| 354 | E | 30.7 | Very low | 31.5 | Very low | 148 Ų | 148 | 136.8 Ų | 136.8 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | | | trans | -129.5 | -153.2 | -174.3 | -64.6 | 174.6 | 65.2 | 0 | 0 | 112 | | |
| 355 | K | 35.4 | Very low | 31.7 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 64% | 0.639 | 75% | 0.752 | S | S | * | * | | | cis | -169.8 | 111.1 | 13.8 | -148.1 | 152.4 | -168.8 | 140.8 | 0 | 116.4 | | |
| 356 | R | 35.9 | Very low | 32 | Very low | 237 Ų | 237 | 135.3 Ų | 135.3 | 89% | 0.894 | 75% | 0.748 | S | S | * | * | | | trans | 61.7 | -175.6 | 156.1 | -91.9 | 175.7 | -176.9 | 169.3 | 2.1 | 116.9 | | |
| 357 | P | 46.9 | Very low | 32.2 | Very low | 100 Ų | 100 | 132.7 Ų | 132.7 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | | | cis | -138.6 | 179.9 | -33.5 | 34.6 | -14.8 | 0 | 0 | 0 | 117.3 | | |
| 358 | R | 33.2 | Very low | 32.1 | Very low | 230 Ų | 230 | 134.9 Ų | 134.9 | 87% | 0.868 | 76% | 0.762 | S | S | * | * | | | trans | 92.1 | 144.6 | 133.4 | -103.9 | 176.2 | -165.4 | 170.5 | 3.2 | 124.4 | | |
| 359 | L | 31.6 | Very low | 32.3 | Very low | 150 Ų | 150 | 130.8 Ų | 130.8 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | | | trans | 88.5 | 97.9 | 153.3 | -64.3 | -169.5 | 0 | 0 | 0 | 124.6 | | |
| 360 | S | 32.1 | Very low | 32.4 | Very low | 101 Ų | 101 | 133.1 Ų | 133.1 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | | 65.9 | 130.4 | 114 | 74.1 | 0 | 0 | 0 | 0 | 126.6 | | |
| 361 | S | 26.9 | Very low | 32.6 | Very low | 100 Ų | 100 | 128.9 Ų | 128.9 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | | | | 99.9 | 128.7 | 126.9 | -130.6 | 0 | 0 | 0 | 0 | 122.6 | | |
| 362 | V | 31.1 | Very low | 32.6 | Very low | 135 Ų | 135 | 128.6 Ų | 128.6 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | trans | 47.4 | 162.8 | 150.6 | -62.9 | 0 | 0 | 0 | 0 | 122.1 | | |
| 363 | S | 27.5 | Very low | 32.6 | Very low | 97 Ų | 97 | 127.6 Ų | 127.6 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | | | cis | -173.7 | 164.2 | -38.2 | -170.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 364 | S | 33.6 | Very low | 31.9 | Very low | 92 Ų | 92 | 129.8 Ų | 129.8 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | | | trans | 85.6 | 116.5 | 143 | -62.6 | 0 | 0 | 0 | 0 | 123.3 | | |
| 365 | V | 30 | Very low | 31.8 | Very low | 128 Ų | 128 | 128 Ų | 128 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | | | | 84.1 | 139.9 | 122.1 | -56 | 0 | 0 | 0 | 0 | 125.9 | | |
| 366 | S | 30.4 | Very low | 31.7 | Very low | 99 Ų | 99 | 126.6 Ų | 126.6 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | | | trans | 68.2 | 134.5 | 146.8 | 47.5 | 0 | 0 | 0 | 0 | 120.2 | | |
| 367 | S | 30.5 | Very low | 32.3 | Very low | 115 Ų | 115 | 121.4 Ų | 121.4 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | cis | 108.1 | 121.2 | 16.5 | -70 | 0 | 0 | 0 | 0 | 113.6 | | |
| 368 | V | 26.9 | Very low | 31.5 | Very low | 149 Ų | 149 | 121.2 Ų | 121.2 | 90% | 0.903 | 77% | 0.774 | S | S | * | * | | | trans | -145.1 | 154.6 | 159.2 | -73.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 369 | S | 30.1 | Very low | 31.5 | Very low | 106 Ų | 106 | 116.8 Ų | 116.8 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | | | trans | -147.6 | 155.3 | -171.9 | -56 | 0 | 0 | 0 | 0 | 112.6 | | |
| 370 | S | 32 | Very low | 32.3 | Very low | 122 Ų | 122 | 115.8 Ų | 115.8 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | | | trans | 71 | 155.4 | 160.3 | -48.3 | 0 | 0 | 0 | 0 | 116.1 | | |
| 371 | A | 28.8 | Very low | 32.5 | Very low | 84 Ų | 84 | 116.1 Ų | 116.1 | 69% | 0.694 | 78% | 0.778 | S | S | * | * | | | cis | -161.8 | 166.1 | 4.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 372 | S | 33.5 | Very low | 33.4 | Very low | 113 Ų | 113 | 117.2 Ų | 117.2 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | | | trans | 56.5 | 158.5 | 141.2 | -61.1 | 0 | 0 | 0 | 0 | 122.5 | | |
| 373 | S | 31.1 | Very low | 33.5 | Very low | 102 Ų | 102 | 116 Ų | 116 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | | | cis | -177.8 | 134.4 | -22.4 | -87.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 374 | I | 30.9 | Very low | 33.9 | Very low | 171 Ų | 171 | 120.2 Ų | 120.2 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | | | trans | 169.7 | 153.6 | 150.2 | 43.7 | 172.8 | 0 | 0 | 0 | 109.2 | | |
| 375 | S | 29 | Very low | 34.1 | Very low | 110 Ų | 110 | 126.7 Ų | 126.7 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | | | cis | -162.9 | 155.9 | -12.3 | 45.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 376 | S | 34.3 | Very low | 34.1 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | | | trans | -98.6 | 168.9 | 179.2 | -47.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 377 | P | 47.6 | Very low | 34.7 | Very low | 128 Ų | 128 | 127.4 Ų | 127.4 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | | | | -145.2 | 174.1 | 89.9 | 34.8 | -16.7 | 0 | 0 | 0 | 114.2 | | |
| 378 | A | 30.9 | Very low | 35.2 | Very low | 96 Ų | 96 | 128 Ų | 128 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | | | cis | -159.5 | 174.6 | -22.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 379 | T | 32.8 | Very low | 35.7 | Very low | 137 Ų | 137 | 128.8 Ų | 128.8 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | | | trans | -92.2 | -177.8 | -167.9 | 39.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 380 | P | 48.3 | Very low | 35.9 | Very low | 128 Ų | 128 | 133.4 Ų | 133.4 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | | | cis | -136.4 | -179.6 | 13.7 | 39.6 | -18.2 | 0 | 0 | 0 | 118.8 | | |
| 381 | S | 35.5 | Very low | 36.4 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | | | trans | -112.2 | 168.3 | -176.5 | 64.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 382 | P | 46.9 | Very low | 36.8 | Very low | 122 Ų | 122 | 137 Ų | 137 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | | | | -129 | -178.3 | 84.1 | 6 | 18 | 0 | 0 | 0 | 113 | | |
| 383 | S | 33.2 | Very low | 36.9 | Very low | 111 Ų | 111 | 138 Ų | 138 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | | | cis | -164.4 | 177.3 | -18.7 | 55.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 384 | Q | 34.6 | Very low | 37.1 | Very low | 184 Ų | 184 | 138.5 Ų | 138.5 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | | | trans | -142.5 | 155.5 | 175.4 | -68.6 | -176.7 | -22.9 | 0 | 0 | 108.9 | | |
| 385 | R | 38.4 | Very low | 37.3 | Very low | 228 Ų | 228 | 141.4 Ų | 141.4 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | | | cis | 72.5 | 123 | 40.6 | -175.1 | -176.8 | -81.8 | -176 | -2.9 | 114.5 | | |
| 386 | V | 31.2 | Very low | 37.5 | Very low | 138 Ų | 138 | 144.3 Ų | 144.3 | 84% | 0.836 | 82% | 0.82 | S | S | * | * | | | trans | -135.3 | 127.8 | 175 | -178.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 387 | P | 41.2 | Very low | 37.4 | Very low | 104 Ų | 104 | 146.3 Ų | 146.3 | 68% | 0.675 | 82% | 0.821 | S | S | * | * | | | trans | -103 | 177.4 | 171.8 | 40.2 | -33 | 0 | 0 | 0 | 112.4 | | |
| 388 | P | 41.2 | Very low | 37.1 | Very low | 128 Ų | 128 | 145.5 Ų | 145.5 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | | | trans | -84.5 | 155.9 | -152.2 | 32.7 | -36.9 | 0 | 0 | 0 | 117.1 | | |
| 389 | L | 37.2 | Very low | 37.1 | Very low | 166 Ų | 166 | 147.1 Ų | 147.1 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | | | trans | -81.6 | 154.1 | -177.7 | -66.5 | 169.2 | 0 | 0 | 0 | 114 | | |
| 390 | K | 35 | Very low | 37.8 | Very low | 203 Ų | 203 | 145.4 Ų | 145.4 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | | | trans | -133.5 | 136.4 | 168.4 | -67.5 | 172.8 | 180 | 171.6 | 0 | 108.4 | | |
| 391 | I | 41.7 | Very low | 36.8 | Very low | 160 Ų | 160 | 147 Ų | 147 | 82% | 0.821 | 81% | 0.807 | S | S | * | * | | | trans | -115.3 | 117.9 | -178.4 | -58.1 | 177.1 | 0 | 0 | 0 | 110 | | |
| 392 | P | 37.6 | Very low | 36.6 | Very low | 121 Ų | 121 | 146.9 Ų | 146.9 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | | | trans | -89 | 161.9 | 171.2 | 35.4 | -33 | 0 | 0 | 0 | 112.3 | | |
| 393 | V | 35.4 | Very low | 36.6 | Very low | 134 Ų | 134 | 147.1 Ų | 147.1 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | | | trans | -114.2 | 134.2 | -174.6 | 179.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 394 | S | 36.4 | Very low | 36.2 | Very low | 112 Ų | 112 | 147.7 Ų | 147.7 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | | | trans | -161.2 | 113 | 158.2 | -86.7 | 0 | 0 | 0 | 0 | 116 | | |
| 395 | R | 35.2 | Very low | 36.4 | Very low | 233 Ų | 233 | 146.7 Ų | 146.7 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | | | trans | 26.1 | 127.1 | 135.7 | -51.9 | 176.6 | -175 | -177.9 | 1.8 | 120.6 | | |
| 396 | I | 33.6 | Very low | 35.9 | Very low | 171 Ų | 171 | 141.9 Ų | 141.9 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | | | trans | -133.5 | 156.9 | 143.3 | -62.2 | -175.4 | 0 | 0 | 0 | 108.7 | | |
| 397 | L | 31.1 | Very low | 35.9 | Very low | 160 Ų | 160 | 140.3 Ų | 140.3 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | | | trans | -109.9 | 165.7 | -175 | -77.6 | 165.7 | 0 | 0 | 0 | 113 | | |
| 398 | P | 42.1 | Very low | 36.3 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | | | trans | -98.9 | -170.5 | -174 | 37.4 | -33.5 | 0 | 0 | 0 | 115.3 | | |
| 399 | V | 30.1 | Very low | 36.1 | Very low | 130 Ų | 130 | 143.8 Ų | 143.8 | 79% | 0.788 | 80% | 0.801 | S | S | * | * | | | trans | 91.5 | 139.1 | 165.5 | 177 | 0 | 0 | 0 | 0 | 116.1 | | |
| 400 | P | 48.8 | Very low | 36.2 | Very low | 102 Ų | 102 | 141.8 Ų | 141.8 | 66% | 0.662 | 80% | 0.796 | S | S | * | * | | | cis | -140.5 | -173.1 | -32.9 | 40.1 | -20.6 | 0 | 0 | 0 | 114.6 | | |
| 401 | L | 25.4 | Very low | 36.3 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | | | | 178.1 | 172.2 | 121.9 | -95.9 | 173.5 | 0 | 0 | 0 | 113.2 | | |
| 402 | S | 31.4 | Very low | 36 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | -150.3 | -174.8 | -175.8 | -49.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 403 | P | 47.3 | Very low | 35.7 | Very low | 126 Ų | 126 | 142.2 Ų | 142.2 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | cis | -145.5 | 175.6 | 14.8 | 44.8 | -25.5 | 0 | 0 | 0 | 118.7 | | |
| 404 | S | 25.1 | Very low | 35.5 | Very low | 123 Ų | 123 | 139 Ų | 139 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | | | trans | -167 | 176.6 | 135.6 | -157.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 405 | Q | 38.5 | Very low | 35.5 | Very low | 164 Ų | 164 | 140 Ų | 140 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | | | trans | -107.3 | -176.4 | -167.6 | -79.2 | -75.6 | 3.1 | 0 | 0 | 113 | | |
| 406 | V | 29.1 | Very low | 35.4 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 76% | 0.764 | 80% | 0.802 | S | S | * | * | | | cis | -150.6 | -152.3 | 24.9 | -145.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 407 | S | 31 | Very low | 35.4 | Very low | 105 Ų | 105 | 135 Ų | 135 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | | | trans | -161.9 | 170.4 | -178.7 | -92.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 408 | P | 49.8 | Very low | 35.6 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | | | cis | -152.2 | 175.4 | 34.3 | 43.5 | -22 | 0 | 0 | 0 | 121.1 | | |
| 409 | K | 36.4 | Very low | 35.8 | Very low | 189 Ų | 189 | 133.4 Ų | 133.4 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | | | trans | 71.2 | 102 | 148.5 | -86 | -179.1 | 173.1 | 176 | 0 | 123.9 | | |
| 410 | T | 39.1 | Very low | 36.7 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | | | | 40.6 | 138.8 | 124.8 | 41.4 | 0 | 0 | 0 | 0 | 122.7 | | |
| 411 | P | 37.9 | Very low | 36.3 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | | | | -146.8 | 161.9 | 64.5 | 40.9 | -22.7 | 0 | 0 | 0 | 120.5 | | |
| 412 | L | 33.8 | Very low | 37.6 | Very low | 167 Ų | 167 | 134.4 Ų | 134.4 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | | | trans | 11.3 | 125.1 | 158.6 | -67.4 | 168.1 | 0 | 0 | 0 | 122.4 | | |
| 413 | Q | 31 | Very low | 38.5 | Very low | 204 Ų | 204 | 131.6 Ų | 131.6 | 95% | 0.953 | 80% | 0.803 | S | S | * | * | | | | -145.4 | 160.6 | 121.1 | -96.2 | -172.6 | 22.6 | 0 | 0 | 109.7 | | |
| 414 | G | 33.3 | Very low | 38.6 | Very low | 67 Ų | 67 | 130.6 Ų | 130.6 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | | | trans | -105.2 | 154.1 | -162 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 415 | P | 35.9 | Very low | 40.6 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | | | trans | -73.3 | 137.2 | -178.5 | -17 | 31.9 | 0 | 0 | 0 | 114.5 | | |
| 416 | L | 32.1 | Very low | 42.4 | Very low | 173 Ų | 173 | 130 Ų | 130 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | | | trans | -70.4 | 145.6 | 169.1 | -64.2 | 167.1 | 0 | 0 | 0 | 110.8 | S418 | L416-S418 PolarHBondContact O-N 2.89Š|
| 417 | S | 33.1 | Very low | 44.4 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | | | trans | -82.6 | 114.7 | 175.5 | -68 | 0 | 0 | 0 | 0 | 111.4 | | |
| 418 | S | 35.6 | Very low | 46.7 | Very low | 109 Ų | 109 | 129.1 Ų | 129.1 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | | | trans | -67.4 | 137.4 | 172.5 | 53 | 0 | 0 | 0 | 0 | 112.2 | L416 | L416-S418 PolarHBondContact O-N 2.89Š|
| 419 | P | 47.9 | Very low | 48.4 | Very low | 128 Ų | 128 | 129.1 Ų | 129.1 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -67.9 | 156.4 | 167.1 | -14.7 | 29.8 | 0 | 0 | 0 | 111.7 | | |
| 420 | G | 48 | Very low | 50.9 | Low | 68 Ų | 68 | 124.5 Ų | 124.5 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | | | trans | 96.6 | 62.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 421 | H | 40.6 | Very low | 53.3 | Low | 186 Ų | 186 | 125.4 Ų | 125.4 | 86% | 0.861 | 74% | 0.743 | S | S | * | * | | | trans | -142.6 | 100.4 | 152.8 | -109.1 | -63.1 | 0 | 0 | 0 | 111 | G423 | H421-G423 VanDerWaalsContact C-N 3.28Å; H421-G423 PolarHBondContact O-N 3.35Å; H421-G423 VanDerWaalsContact O-N 3.17Å |
| 422 | T | 51.6 | Low | 55.6 | Low | 159 Ų | 159 | 122 Ų | 122 | 98% | 0.975 | 73% | 0.726 | S | S | * | * | | | trans | -89.5 | 65.4 | 176.8 | -43.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 423 | G | 50.7 | Low | 58.2 | Low | 49 Ų | 49 | 119.9 Ų | 119.9 | 51% | 0.505 | 71% | 0.709 | S | S | . | * | S | Bend | trans | -128.1 | 157.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | H421 R425 | H421-G423 VanDerWaalsContact C-N 3.28Å; H421-G423 PolarHBondContact O-N 3.35Å; H421-G423 VanDerWaalsContact O-N 3.17Å; G423-R425 PolarHBondContact O-N 3.05Å; G423-R425 VanDerWaalsContact O-N 3.08Å |
| 424 | A | 49.7 | Very low | 61.1 | Low | 105 Ų | 105 | 111.9 Ų | 111.9 | 87% | 0.868 | 68% | 0.678 | S | S | * | * | | | trans | -49.9 | 113 | -171 | 0 | 0 | 0 | 0 | 0 | 113.2 | T426 | A424-T426 PolarHBondContact O-N 3.26Å; A424-T426 VanDerWaalsContact O-N 3.13Å |
| 425 | R | 66.4 | Low | 64 | Low | 169 Ų | 169 | 113.8 Ų | 113.8 | 64% | 0.638 | 67% | 0.669 | S | S | * | * | | | trans | -73.6 | 104.2 | 178.3 | -71.7 | 176.6 | 178.3 | 154.9 | 4.6 | 110.1 | G423 Y429 I430 | G423-R425 PolarHBondContact O-N 3.05Å; G423-R425 VanDerWaalsContact O-N 3.08Å; R425-Y429 HydrophobicContact CB-CD1 4.18Å; R425-Y429 HydrophobicContact CG-CD1 4.08Å; R425-Y429 HydrophobicContact CG-CE1 4.35Å; R425-I430 HydrophobicContact CB-CD1 4.47Å; R425-I430 HydrophobicContact CB-CG1 4.3Å |
| 426 | T | 76.6 | Confident | 66.6 | Low | 106 Ų | 106 | 112.2 Ų | 112.2 | 65% | 0.65 | 65% | 0.653 | S | S | * | * | | | trans | -48.4 | 141.3 | 174.9 | -40.3 | 0 | 0 | 0 | 0 | 111.6 | A424 A428 Y429 I430 | A424-T426 PolarHBondContact O-N 3.26Å; A424-T426 VanDerWaalsContact O-N 3.13Å; T426-A428 HydrophobicContact CG2-CB 4.43Å; T426-A428 PolarHBondContact O-N 2.97Å; T426-Y429 WeakPolarHBondContact O-CB 3.47Å; T426-Y429 PolarHBondContact O-N 3.37Å; T426-I430 PolarHBondContact O-N 3.48Å |
| 427 | L | 71.8 | Confident | 69.2 | Low | 145 Ų | 145 | 105.6 Ų | 105.6 | 76% | 0.759 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -51.1 | -31.4 | 179.6 | -70.3 | 172.3 | 0 | 0 | 0 | 113.3 | I430 K431 | L427-I430 PolarHBondContact O-N 3.17Å; L427-K431 VanDerWaalsContact O-CB 3.31Å; L427-K431 WeakPolarHBondContact O-CB 3.3Å; L427-K431 PolarHBondContact O-N 3.43Å |
| 428 | A | 78.6 | Confident | 71.8 | Confident | 67 Ų | 67 | 106 Ų | 106 | 55% | 0.554 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -58.5 | -43.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | T426 K431 A432 | T426-A428 HydrophobicContact CG2-CB 4.43Å; T426-A428 PolarHBondContact O-N 2.97Å; A428-K431 PolarHBondContact O-N 2.76Å; A428-A432 VanDerWaalsContact O-CB 3.25Å; A428-A432 WeakPolarHBondContact O-CB 3.46Å; A428-A432 PolarHBondContact O-N 3.3Å |
| 429 | Y | 86.7 | Confident | 74.2 | Confident | 117 Ų | 117 | 103.5 Ų | 103.5 | 46% | 0.459 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.3 | -40.3 | 177.5 | 179.5 | -94.5 | 0 | 0 | 0 | 111.5 | R425 T426 A432 K433 | R425-Y429 HydrophobicContact CB-CD1 4.18Å; R425-Y429 HydrophobicContact CG-CD1 4.08Å; R425-Y429 HydrophobicContact CG-CE1 4.35Å; T426-Y429 WeakPolarHBondContact O-CB 3.47Å; T426-Y429 PolarHBondContact O-N 3.37Å; Y429-A432 PolarHBondContact O-N 2.99Å; Y429-K433 HydrophobicContact CE1-CD 4.29Å; Y429-K433 WeakPolarHBondContact O-CB 3.46Å; Y429-K433 PolarHBondContact O-N 2.7Å |
| 430 | I | 87.6 | Confident | 76.3 | Confident | 91 Ų | 91 | 103.1 Ų | 103.1 | 47% | 0.467 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.3 | -45.5 | 176.1 | -58.1 | 176.7 | 0 | 0 | 0 | 110.1 | R425 T426 L427 K433 A434 | R425-I430 HydrophobicContact CB-CD1 4.47Å; R425-I430 HydrophobicContact CB-CG1 4.3Å; T426-I430 PolarHBondContact O-N 3.48Å; L427-I430 PolarHBondContact O-N 3.17Å; I430-K433 PolarHBondContact O-N 3.19Å; I430-A434 VanDerWaalsContact O-CB 3.3Å; I430-A434 WeakPolarHBondContact O-CB 3.38Å; I430-A434 PolarHBondContact O-N 3.2Å |
| 431 | K | 89.4 | Confident | 77.9 | Confident | 143 Ų | 143 | 108.1 Ų | 108.1 | 62% | 0.622 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.5 | -44.3 | 177.3 | -167.7 | 173.3 | -177.5 | 177.6 | 0 | 111.9 | L427 A428 A434 Q435 | L427-K431 VanDerWaalsContact O-CB 3.31Å; L427-K431 WeakPolarHBondContact O-CB 3.3Å; L427-K431 PolarHBondContact O-N 3.43Å; A428-K431 PolarHBondContact O-N 2.76Å; K431-A434 PolarHBondContact O-N 3.13Å; K431-Q435 WeakPolarHBondContact O-CG 3.45Å; K431-Q435 PolarHBondContact O-N 3.04Å; K431-Q435 PolarHBondContact O-OE1 3.03Å |
| 432 | A | 87.9 | Confident | 79.7 | Confident | 52 Ų | 52 | 104.3 Ų | 104.3 | 43% | 0.43 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.1 | -46.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A428 Y429 A434 Q435 L436 | A428-A432 VanDerWaalsContact O-CB 3.25Å; A428-A432 WeakPolarHBondContact O-CB 3.46Å; A428-A432 PolarHBondContact O-N 3.3Å; Y429-A432 PolarHBondContact O-N 2.99Å; A432-A434 VanDerWaalsContact C-N 3.31Å; A432-A434 PolarHBondContact O-N 3.44Å; A432-Q435 PolarHBondContact O-N 2.97Å; A432-Q435 VanDerWaalsContact O-N 3.13Å; A432-L436 PolarHBondContact O-N 2.95Å |
| 433 | K | 88.5 | Confident | 80.7 | Confident | 122 Ų | 122 | 99.3 Ų | 99.3 | 53% | 0.53 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.6 | -35.8 | 177 | -165.4 | 167.4 | -173.9 | 171.8 | 0 | 111.9 | Y429 I430 A437 | Y429-K433 HydrophobicContact CE1-CD 4.29Å; Y429-K433 WeakPolarHBondContact O-CB 3.46Å; Y429-K433 PolarHBondContact O-N 2.7Å; I430-K433 PolarHBondContact O-N 3.19Å; K433-A437 VanDerWaalsContact O-CB 3.29Å; K433-A437 WeakPolarHBondContact O-CB 3.42Å; K433-A437 PolarHBondContact O-N 2.87Å |
| 434 | A | 90.9 | Very high | 81.6 | Confident | 36 Ų | 36 | 99.7 Ų | 99.7 | 30% | 0.298 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69.6 | -31.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | I430 K431 A432 R438 | I430-A434 VanDerWaalsContact O-CB 3.3Å; I430-A434 WeakPolarHBondContact O-CB 3.38Å; I430-A434 PolarHBondContact O-N 3.2Å; K431-A434 PolarHBondContact O-N 3.13Å; A432-A434 VanDerWaalsContact C-N 3.31Å; A432-A434 PolarHBondContact O-N 3.44Å; A434-R438 WeakPolarHBondContact O-CG 3.28Å; A434-R438 PolarHBondContact O-N 3Å |
| 435 | Q | 93.4 | Very high | 82.5 | Confident | 106 Ų | 106 | 97.8 Ų | 97.8 | 50% | 0.495 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.3 | -45.8 | 171.8 | -76.3 | 171.9 | -73.2 | 0 | 0 | 111.5 | K431 A432 A437 R438 A439 | K431-Q435 WeakPolarHBondContact O-CG 3.45Å; K431-Q435 PolarHBondContact O-N 3.04Å; K431-Q435 PolarHBondContact O-OE1 3.03Å; A432-Q435 PolarHBondContact O-N 2.97Å; A432-Q435 VanDerWaalsContact O-N 3.13Å; Q435-A437 VanDerWaalsContact C-N 3.35Å; Q435-A437 PolarHBondContact O-N 3.37Å; Q435-R438 WeakPolarHBondContact O-CA 3.2Å; Q435-R438 WeakPolarHBondContact O-CB 3.43Å; Q435-R438 PolarHBondContact O-N 3.1Å; Q435-A439 PolarHBondContact O-N 3.13Å |
| 436 | L | 91.3 | Very high | 82.4 | Confident | 102 Ų | 102 | 92.5 Ų | 92.5 | 53% | 0.534 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.8 | -45.6 | 175.4 | -177 | 61.8 | 0 | 0 | 0 | 111.4 | A432 R438 A439 Q440 | A432-L436 PolarHBondContact O-N 2.95Å; L436-R438 PolarHBondContact O-N 3.06Å; L436-A439 PolarHBondContact O-N 3.13Å; L436-A439 VanDerWaalsContact O-N 3.17Å; L436-Q440 HydrophobicContact CD1-CG 4.48Å; L436-Q440 WeakPolarHBondContact O-CG 3.31Å; L436-Q440 PolarHBondContact O-N 3.35Å |
| 437 | A | 85.9 | Confident | 81.8 | Confident | 34 Ų | 34 | 92.5 Ų | 92.5 | 28% | 0.281 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.4 | -10.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | K433 Q435 R441 | K433-A437 VanDerWaalsContact O-CB 3.29Å; K433-A437 WeakPolarHBondContact O-CB 3.42Å; K433-A437 PolarHBondContact O-N 2.87Å; Q435-A437 VanDerWaalsContact C-N 3.35Å; Q435-A437 PolarHBondContact O-N 3.37Å; A437-R441 PolarHBondContact O-NE 3.37Å; A437-R441 PolarHBondContact O-NH2 3.49Å; A437-R441 VanDerWaalsContact O-NH2 3.1Å |
| 438 | R | 87.8 | Confident | 80.9 | Confident | 131 Ų | 131 | 90.1 Ų | 90.1 | 49% | 0.494 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -88.6 | -46.1 | 166.2 | -78.8 | -173.9 | -69.3 | -92.8 | 2.9 | 110.9 | A434 Q435 L436 Q440 R441 V442 | A434-R438 WeakPolarHBondContact O-CG 3.28Å; A434-R438 PolarHBondContact O-N 3Å; Q435-R438 WeakPolarHBondContact O-CA 3.2Å; Q435-R438 WeakPolarHBondContact O-CB 3.43Å; Q435-R438 PolarHBondContact O-N 3.1Å; L436-R438 PolarHBondContact O-N 3.06Å; R438-Q440 VanDerWaalsContact C-N 3.32Å; R438-Q440 PolarHBondContact O-N 3.01Å; R438-R441 PolarHBondContact O-N 2.75Å; R438-V442 PolarHBondContact O-N 3.34Å |
| 439 | A | 87.3 | Confident | 79.7 | Confident | 57 Ų | 57 | 91.5 Ų | 91.5 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -56.4 | -44.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q435 L436 R441 V442 A443 | Q435-A439 PolarHBondContact O-N 3.13Å; L436-A439 PolarHBondContact O-N 3.13Å; L436-A439 VanDerWaalsContact O-N 3.17Å; A439-R441 VanDerWaalsContact C-N 3.3Å; A439-R441 PolarHBondContact O-N 3.28Å; A439-V442 PolarHBondContact O-N 3.05Å; A439-A443 WeakPolarHBondContact O-CB 3.4Å; A439-A443 PolarHBondContact O-N 2.87Å |
| 440 | Q | 91.8 | Very high | 78 | Confident | 120 Ų | 120 | 90 Ų | 90 | 56% | 0.561 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60 | -36 | 175.5 | -72.8 | 172.9 | -36.5 | 0 | 0 | 113.1 | L436 R438 A444 | L436-Q440 HydrophobicContact CD1-CG 4.48Å; L436-Q440 WeakPolarHBondContact O-CG 3.31Å; L436-Q440 PolarHBondContact O-N 3.35Å; R438-Q440 VanDerWaalsContact C-N 3.32Å; R438-Q440 PolarHBondContact O-N 3.01Å; Q440-A444 WeakPolarHBondContact O-CB 3.38Å; Q440-A444 PolarHBondContact O-N 3.13Å |
| 441 | R | 80.7 | Confident | 76.3 | Confident | 174 Ų | 174 | 90.2 Ų | 90.2 | 66% | 0.657 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -73.4 | -35.3 | 176.4 | -85.4 | 179.9 | -77.8 | 174.3 | -9.9 | 112.9 | A437 R438 A439 A445 | A437-R441 PolarHBondContact O-NE 3.37Å; A437-R441 PolarHBondContact O-NH2 3.49Å; A437-R441 VanDerWaalsContact O-NH2 3.1Å; R438-R441 PolarHBondContact O-N 2.75Å; A439-R441 VanDerWaalsContact C-N 3.3Å; A439-R441 PolarHBondContact O-N 3.28Å; R441-A445 WeakPolarHBondContact O-CB 3.3Å; R441-A445 PolarHBondContact O-N 3.42Å; R441-A445 VanDerWaalsContact O-N 3.07Å |
| 442 | V | 79.9 | Confident | 74.1 | Confident | 105 Ų | 105 | 92.9 Ų | 92.9 | 64% | 0.636 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -66.7 | -44.3 | 172.8 | 176 | 0 | 0 | 0 | 0 | 110.5 | R438 A439 A445 A446 | R438-V442 PolarHBondContact O-N 3.34Å; A439-V442 PolarHBondContact O-N 3.05Å; V442-A445 PolarHBondContact O-N 3.34Å; V442-A446 PolarHBondContact O-N 3.14Å |
| 443 | A | 72.6 | Confident | 71.8 | Confident | 55 Ų | 55 | 94 Ų | 94 | 46% | 0.455 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.1 | -45.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | A439 A445 A446 V447 | A439-A443 WeakPolarHBondContact O-CB 3.4Å; A439-A443 PolarHBondContact O-N 2.87Å; A443-A445 VanDerWaalsContact C-N 3.35Å; A443-A445 PolarHBondContact O-N 3.15Å; A443-A446 PolarHBondContact O-N 3.29Å; A443-V447 WeakPolarHBondContact O-CG2 3.49Å; A443-V447 PolarHBondContact O-N 3.44Å |
| 444 | A | 67.8 | Low | 69.5 | Low | 56 Ų | 56 | 93.4 Ų | 93.4 | 46% | 0.463 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -60.8 | -41.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q440 A446 V447 S448 | Q440-A444 WeakPolarHBondContact O-CB 3.38Å; Q440-A444 PolarHBondContact O-N 3.13Å; A444-A446 VanDerWaalsContact C-N 3.35Å; A444-A446 PolarHBondContact O-N 2.92Å; A444-V447 PolarHBondContact O-N 2.99Å; A444-S448 PolarHBondContact O-N 3.48Å; A444-S448 PolarHBondContact O-OG 2.81Å |
| 445 | A | 69 | Low | 67 | Low | 66 Ų | 66 | 98 Ų | 98 | 55% | 0.545 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.6 | -38.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R441 V442 A443 S449 | R441-A445 WeakPolarHBondContact O-CB 3.3Å; R441-A445 PolarHBondContact O-N 3.42Å; R441-A445 VanDerWaalsContact O-N 3.07Å; V442-A445 PolarHBondContact O-N 3.34Å; A443-A445 VanDerWaalsContact C-N 3.35Å; A443-A445 PolarHBondContact O-N 3.15Å; A445-S449 PolarHBondContact O-N 3.27Å |
| 446 | A | 65.1 | Low | 64.9 | Low | 57 Ų | 57 | 99.1 Ų | 99.1 | 47% | 0.471 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -64.8 | -46.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V442 A443 A444 S448 S449 | V442-A446 PolarHBondContact O-N 3.14Å; A443-A446 PolarHBondContact O-N 3.29Å; A444-A446 VanDerWaalsContact C-N 3.35Å; A444-A446 PolarHBondContact O-N 2.92Å; A446-S448 PolarHBondContact O-N 2.74Å; A446-S449 WeakPolarHBondContact O-CB 3.34Å; A446-S449 PolarHBondContact O-N 2.93Å; A446-S449 PolarHBondContact O-OG 2.82Å |
| 447 | V | 63 | Low | 62.2 | Low | 106 Ų | 106 | 97.4 Ų | 97.4 | 64% | 0.642 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -62.3 | -41.2 | 178.7 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | A443 A444 S449 A450 | A443-V447 WeakPolarHBondContact O-CG2 3.49Å; A443-V447 PolarHBondContact O-N 3.44Å; A444-V447 PolarHBondContact O-N 2.99Å; V447-S449 PolarHBondContact O-N 3.41Å; V447-S449 VanDerWaalsContact O-N 3.14Å; V447-A450 PolarHBondContact O-N 2.86Å; V447-A450 VanDerWaalsContact O-N 3.16Å |
| 448 | S | 54.2 | Low | 60.3 | Low | 95 Ų | 95 | 102 Ų | 102 | 66% | 0.664 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -9.2 | 174.4 | -63.7 | 0 | 0 | 0 | 0 | 115 | A444 A446 | A444-S448 PolarHBondContact O-N 3.48Å; A444-S448 PolarHBondContact O-OG 2.81Å; A446-S448 PolarHBondContact O-N 2.74Å |
| 449 | S | 53.2 | Low | 57.9 | Low | 96 Ų | 96 | 99.1 Ų | 99.1 | 67% | 0.671 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -16.7 | 173.7 | 74.7 | 0 | 0 | 0 | 0 | 113.8 | A445 A446 V447 | A445-S449 PolarHBondContact O-N 3.27Å; A446-S449 WeakPolarHBondContact O-CB 3.34Å; A446-S449 PolarHBondContact O-N 2.93Å; A446-S449 PolarHBondContact O-OG 2.82Å; V447-S449 PolarHBondContact O-N 3.41Å; V447-S449 VanDerWaalsContact O-N 3.14Å |
| 450 | A | 51.3 | Low | 56.1 | Low | 87 Ų | 87 | 103.1 Ų | 103.1 | 72% | 0.719 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -84.7 | -11.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | V447 | V447-A450 PolarHBondContact O-N 2.86Å; V447-A450 VanDerWaalsContact O-N 3.16Å |
| 451 | S | 51.8 | Low | 53.2 | Low | 94 Ų | 94 | 101.4 Ų | 101.4 | 66% | 0.657 | 71% | 0.705 | S | S | * | * | | | trans | -106.6 | 61.8 | -172.3 | 67 | 0 | 0 | 0 | 0 | 113.8 | | |
| 452 | K | 43.7 | Very low | 50.8 | Low | 200 Ų | 200 | 97.1 Ų | 97.1 | 87% | 0.87 | 72% | 0.715 | S | S | * | * | | | trans | -131.5 | 105.7 | 157.5 | -80.6 | -164.9 | 173.2 | -172 | 0 | 109.4 | | |
| 453 | G | 38.3 | Very low | 48.6 | Very low | 76 Ų | 76 | 95.6 Ų | 95.6 | 78% | 0.784 | 72% | 0.721 | S | S | * | * | | | trans | -68.6 | 150.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 454 | A | 40.3 | Very low | 46.7 | Very low | 108 Ų | 108 | 99.2 Ų | 99.2 | 89% | 0.893 | 74% | 0.743 | S | S | * | * | | | trans | -73.6 | 148 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 455 | V | 37.9 | Very low | 44.9 | Very low | 134 Ų | 134 | 100.4 Ų | 100.4 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | | | trans | -121.4 | 132.6 | 168.9 | 177.1 | 0 | 0 | 0 | 0 | 106.7 | | |
| 456 | P | 50.8 | Low | 43.3 | Very low | 128 Ų | 128 | 100.5 Ų | 100.5 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | | | trans | -76.9 | 141.3 | -170.8 | 30.1 | -35.1 | 0 | 0 | 0 | 112.8 | | |
| 457 | G | 34.7 | Very low | 41.8 | Very low | 67 Ų | 67 | 105 Ų | 105 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | | | trans | -114.8 | 152 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 458 | P | 45.6 | Very low | 40.4 | Very low | 130 Ų | 130 | 107.4 Ų | 107.4 | 84% | 0.844 | 79% | 0.788 | S | S | * | * | | | trans | -82.9 | 158.4 | -170.6 | 34.1 | -36.5 | 0 | 0 | 0 | 113.7 | | |
| 459 | G | 36.2 | Very low | 39.4 | Very low | 70 Ų | 70 | 107.7 Ų | 107.7 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | | | trans | -71.6 | -175.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 460 | P | 50.5 | Low | 38.5 | Very low | 142 Ų | 142 | 111.3 Ų | 111.3 | 92% | 0.922 | 79% | 0.792 | S | S | * | * | | | cis | -133.5 | -174 | 31.5 | 42.1 | -26.2 | 0 | 0 | 0 | 114.7 | | |
| 461 | G | 30.4 | Very low | 38.5 | Very low | 83 Ų | 83 | 111.7 Ų | 111.7 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | | | trans | 152 | 122.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 462 | G | 30.9 | Very low | 37.7 | Very low | 85 Ų | 85 | 112.2 Ų | 112.2 | 88% | 0.876 | 79% | 0.791 | S | S | * | * | | | trans | -149.6 | 178 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 463 | G | 32.4 | Very low | 38.1 | Very low | 73 Ų | 73 | 108.7 Ų | 108.7 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | | | trans | 148.2 | 112.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 464 | S | 33.2 | Very low | 37.8 | Very low | 130 Ų | 130 | 110.3 Ų | 110.3 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | | | trans | 60.3 | 146.5 | 162.6 | -53 | 0 | 0 | 0 | 0 | 118.7 | | |
| 465 | G | 31.4 | Very low | 38.2 | Very low | 81 Ų | 81 | 110.8 Ų | 110.8 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | | | cis | 117.6 | 118 | -2.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 466 | G | 33.8 | Very low | 37.8 | Very low | 69 Ų | 69 | 109 Ų | 109 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | | | trans | 154.5 | 63.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 467 | D | 33.7 | Very low | 36.9 | Very low | 150 Ų | 150 | 111.2 Ų | 111.2 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | | | | 66.4 | 144.4 | 128.4 | -77.7 | -50.4 | 0 | 0 | 0 | 128.3 | | |
| 468 | H | 34.4 | Very low | 36.8 | Very low | 158 Ų | 158 | 113.1 Ų | 113.1 | 73% | 0.731 | 78% | 0.782 | S | S | * | * | | | trans | 84.3 | 72.4 | 142.1 | -87.9 | -79.4 | 0 | 0 | 0 | 125.7 | | |
| 469 | T | 32.3 | Very low | 36.9 | Very low | 101 Ų | 101 | 112.5 Ų | 112.5 | 62% | 0.62 | 78% | 0.778 | S | S | * | * | | | | 60.9 | 116 | 101.3 | -57.6 | 0 | 0 | 0 | 0 | 124.5 | | |
| 470 | Q | 35.3 | Very low | 36.5 | Very low | 171 Ų | 171 | 115 Ų | 115 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | | | | 174 | 161.5 | 122.7 | -91.3 | -56.4 | -86.2 | 0 | 0 | 113.4 | | |
| 471 | P | 49.9 | Very low | 35.7 | Very low | 95 Ų | 95 | 112.8 Ų | 112.8 | 62% | 0.617 | 77% | 0.767 | S | S | * | * | | | trans | -146.8 | -158 | -146.4 | 46 | -24.9 | 0 | 0 | 0 | 117.5 | | |
| 472 | S | 35.3 | Very low | 36.5 | Very low | 105 Ų | 105 | 114.1 Ų | 114.1 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | | | trans | 112.7 | 153.5 | 153.8 | -51.1 | 0 | 0 | 0 | 0 | 117.4 | | |
| 473 | P | 53.7 | Low | 36.5 | Very low | 126 Ų | 126 | 119.2 Ų | 119.2 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | cis | -133.8 | -174.2 | -30.2 | 35.8 | -16 | 0 | 0 | 0 | 115 | | |
| 474 | S | 30.5 | Very low | 36.3 | Very low | 110 Ų | 110 | 120.9 Ų | 120.9 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | | | trans | -79.6 | 172.3 | -177.2 | -37.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 475 | P | 49.4 | Very low | 36 | Very low | 119 Ų | 119 | 120.2 Ų | 120.2 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | | | | -131.7 | 153.4 | 67.8 | 15.1 | 9.2 | 0 | 0 | 0 | 113.6 | | |
| 476 | S | 29.6 | Very low | 35.9 | Very low | 97 Ų | 97 | 121.6 Ų | 121.6 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | | | cis | 88.1 | 109.8 | 42.3 | 85.8 | 0 | 0 | 0 | 0 | 116.3 | | |
| 477 | L | 31.3 | Very low | 35.6 | Very low | 174 Ų | 174 | 129.5 Ų | 129.5 | 91% | 0.911 | 76% | 0.763 | S | S | * | * | | | | 164.3 | 148.2 | 125.6 | -88.1 | 170.2 | 0 | 0 | 0 | 114.2 | | |
| 478 | S | 32.7 | Very low | 35.7 | Very low | 106 Ų | 106 | 129.8 Ų | 129.8 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | | | trans | -157.4 | 166.7 | 172.2 | 61.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 479 | P | 48.4 | Very low | 36.5 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | | | trans | -133.9 | -168.1 | 135.2 | 38 | -23.5 | 0 | 0 | 0 | 109.6 | | |
| 480 | T | 27.8 | Very low | 36.3 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | cis | -150.4 | 133 | 4.1 | -26.6 | 0 | 0 | 0 | 0 | 104.6 | | |
| 481 | S | 32.9 | Very low | 36.1 | Very low | 95 Ų | 95 | 125.8 Ų | 125.8 | 66% | 0.664 | 77% | 0.773 | S | S | * | * | | | | 59.7 | 138.3 | 62.4 | -158.1 | 0 | 0 | 0 | 0 | 115.5 | | |
| 482 | P | 47.3 | Very low | 35.2 | Very low | 111 Ų | 111 | 126.9 Ų | 126.9 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | | | cis | -107.3 | 146.9 | -9.9 | 13.9 | 9.2 | 0 | 0 | 0 | 112.5 | | |
| 483 | Q | 32 | Very low | 35.1 | Very low | 193 Ų | 193 | 127 Ų | 127 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | | | | 62.2 | 116 | 73 | -72.6 | -157.8 | 3.7 | 0 | 0 | 117.9 | | |
| 484 | A | 27.1 | Very low | 34.2 | Very low | 107 Ų | 107 | 126 Ų | 126 | 88% | 0.884 | 78% | 0.78 | S | S | * | * | | | trans | -153.7 | 140.6 | 138.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 485 | C | 27.2 | Very low | 34.2 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | | | trans | -103 | 161.7 | 171.9 | -152 | 0 | 0 | 0 | 0 | 107.4 | | |
| 486 | T | 29.7 | Very low | 33.3 | Very low | 111 Ų | 111 | 131.5 Ų | 131.5 | 68% | 0.681 | 79% | 0.788 | S | S | * | * | | | cis | -178.2 | 167.4 | 47.7 | -34.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 487 | R | 26.6 | Very low | 33.7 | Very low | 234 Ų | 234 | 132 Ų | 132 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | | | trans | 72.1 | 140.1 | 151.8 | -93.6 | 171.2 | -167.5 | -108.3 | 2.4 | 121.5 | | |
| 488 | L | 36.6 | Very low | 33.7 | Very low | 156 Ų | 156 | 129.8 Ų | 129.8 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | | | trans | -102.4 | 179.6 | 150.7 | -51.9 | 170.8 | 0 | 0 | 0 | 107.7 | | |
| 489 | P | 51.4 | Low | 33.5 | Very low | 115 Ų | 115 | 128 Ų | 128 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | | | cis | -132.4 | 168.1 | -9.2 | 39.9 | -24.4 | 0 | 0 | 0 | 115.5 | | |
| 490 | A | 28.5 | Very low | 32.7 | Very low | 88 Ų | 88 | 130.9 Ų | 130.9 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | 67 | 169.3 | 147.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 491 | T | 30.1 | Very low | 32.8 | Very low | 143 Ų | 143 | 130.3 Ų | 130.3 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | | | trans | 86.5 | 114.5 | 163.8 | 75.7 | 0 | 0 | 0 | 0 | 122 | | |
| 492 | S | 30.5 | Very low | 34.1 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | trans | -161.2 | 136.7 | 147.2 | 58.5 | 0 | 0 | 0 | 0 | 106.6 | | |
| 493 | S | 34.4 | Very low | 34.4 | Very low | 108 Ų | 108 | 131 Ų | 131 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | | | cis | -166.1 | 148.2 | 3.1 | 51.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 494 | S | 35.3 | Very low | 34.3 | Very low | 104 Ų | 104 | 129.1 Ų | 129.1 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | 67.1 | 137.3 | 141.3 | -158.9 | 0 | 0 | 0 | 0 | 120.5 | | |
| 495 | N | 29.6 | Very low | 34.5 | Very low | 149 Ų | 149 | 129 Ų | 129 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | | | cis | -165.6 | 165 | -27.5 | -104.1 | -12.2 | 0 | 0 | 0 | 108.5 | | |
| 496 | Q | 31.4 | Very low | 35.4 | Very low | 195 Ų | 195 | 128 Ų | 128 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | | | trans | -123.5 | 148.5 | 162.2 | -73.5 | -170.7 | 39.2 | 0 | 0 | 110.9 | | |
| 497 | S | 35.9 | Very low | 35.5 | Very low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | -163.5 | 137.7 | 158.6 | 57.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 498 | S | 32 | Very low | 36.5 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | | | trans | 73.9 | 130.9 | 165.4 | -46.7 | 0 | 0 | 0 | 0 | 116.9 | | |
| 499 | G | 28.6 | Very low | 36.3 | Very low | 68 Ų | 68 | 124.9 Ų | 124.9 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | | | cis | 153.1 | 154.6 | 9.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 500 | L | 31.7 | Very low | 35.2 | Very low | 179 Ų | 179 | 127 Ų | 127 | 94% | 0.937 | 79% | 0.785 | S | S | * | * | | | trans | 83.8 | 168.2 | 164.7 | -49.6 | -178 | 0 | 0 | 0 | 119.9 | | |
| 501 | S | 29.9 | Very low | 35.4 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | -131.4 | -163.6 | -151 | -42 | 0 | 0 | 0 | 0 | 111.9 | | |
| 502 | P | 61.3 | Low | 35.5 | Very low | 119 Ų | 119 | 131 Ų | 131 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | | -112.6 | -149.9 | -69.8 | 38.9 | -20.7 | 0 | 0 | 0 | 109.3 | | |
| 503 | P | 53.6 | Low | 35.6 | Very low | 102 Ų | 102 | 132.4 Ų | 132.4 | 66% | 0.662 | 77% | 0.769 | S | S | * | * | | | cis | -141.6 | -175.3 | -6.7 | 43.9 | -24.7 | 0 | 0 | 0 | 117.8 | | |
| 504 | L | 29.2 | Very low | 35.5 | Very low | 154 Ų | 154 | 132.5 Ų | 132.5 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | | | trans | 72.2 | 141.5 | 162.2 | -54.3 | 179.3 | 0 | 0 | 0 | 118.9 | | |
| 505 | S | 30.4 | Very low | 35.4 | Very low | 105 Ų | 105 | 132.4 Ų | 132.4 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | | | cis | 90.5 | 147.8 | 22.2 | -68.4 | 0 | 0 | 0 | 0 | 116.2 | | |
| 506 | S | 45.8 | Very low | 35.6 | Very low | 95 Ų | 95 | 131 Ų | 131 | 66% | 0.664 | 75% | 0.749 | S | S | * | * | | | cis | -176.1 | 173.3 | -19.6 | 59.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 507 | R | 33.5 | Very low | 35.4 | Very low | 235 Ų | 235 | 129.4 Ų | 129.4 | 89% | 0.887 | 74% | 0.74 | S | S | * | * | | | trans | 75.9 | 166.4 | 177.9 | -52.1 | 178.6 | 160.9 | -163.9 | -4.1 | 115.6 | | |
| 508 | P | 47.7 | Very low | 34.9 | Very low | 118 Ų | 118 | 130.1 Ų | 130.1 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | | | | -138 | 173.2 | -62.5 | 42.1 | -26.8 | 0 | 0 | 0 | 114.4 | | |
| 509 | A | 30.8 | Very low | 34.6 | Very low | 81 Ų | 81 | 128.5 Ų | 128.5 | 67% | 0.669 | 73% | 0.729 | S | S | * | * | | | trans | 52.8 | 142.3 | 140.2 | 0 | 0 | 0 | 0 | 0 | 124.5 | | |
| 510 | D | 29.8 | Very low | 34.5 | Very low | 159 Ų | 159 | 129.7 Ų | 129.7 | 85% | 0.85 | 72% | 0.722 | S | S | * | * | | | trans | 71.9 | 136.2 | 140.8 | -67.8 | -37.8 | 0 | 0 | 0 | 125.5 | | |
| 511 | D | 31 | Very low | 34.1 | Very low | 133 Ų | 133 | 126.9 Ų | 126.9 | 71% | 0.711 | 71% | 0.712 | S | S | * | * | | | trans | 108.4 | 145.5 | 131.8 | -136.8 | 10.7 | 0 | 0 | 0 | 123.1 | | |
| 512 | R | 32.3 | Very low | 34.1 | Very low | 184 Ų | 184 | 128.1 Ų | 128.1 | 69% | 0.694 | 71% | 0.705 | S | S | * | * | | | trans | 57.2 | 106.8 | 162.8 | -45.6 | -148.2 | 92 | 104.5 | 1.3 | 122.2 | | |
| 513 | Q | 32.7 | Very low | 32.2 | Very low | 147 Ų | 147 | 129.9 Ų | 129.9 | 69% | 0.687 | 70% | 0.704 | S | S | * | * | | | | -2.9 | 134 | 124.5 | -51.9 | 165.5 | -73.3 | 0 | 0 | 117.8 | | |
| 514 | S | 34 | Very low | 30.8 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 77% | 0.769 | 71% | 0.71 | S | S | * | * | | | | 175.1 | 139.3 | 121 | -175.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 515 | N | 32.3 | Very low | 30.6 | Very low | 103 Ų | 103 | 127.5 Ų | 127.5 | 55% | 0.551 | 70% | 0.702 | S | S | * | * | | | cis | -172.3 | 158.7 | -24.9 | -95.4 | -16.7 | 0 | 0 | 0 | 106.8 | | |
| 516 | H | 33.7 | Very low | 30.3 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 55% | 0.546 | 71% | 0.706 | S | S | . | * | | | cis | -160.9 | 157 | -0 | -118.4 | -27.9 | 0 | 0 | 0 | 110.9 | | |
| 517 | F | 27.6 | Very low | 29.4 | Very low | 163 Ų | 163 | 129.7 Ų | 129.7 | 72% | 0.715 | 71% | 0.711 | S | S | * | * | | | trans | 50 | 132.1 | 153.1 | -58 | -51.1 | 0 | 0 | 0 | 119.8 | | |
| 518 | T | 25.7 | Very low | 28.9 | Very low | 121 Ų | 121 | 123.7 Ų | 123.7 | 74% | 0.742 | 71% | 0.705 | S | S | * | * | | | cis | -157.5 | -177.6 | 11.4 | 0.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 519 | S | 26 | Very low | 28 | Very low | 95 Ų | 95 | 123.2 Ų | 123.2 | 66% | 0.664 | 70% | 0.7 | S | S | * | * | | | cis | -157.3 | 156.5 | 12 | -137 | 0 | 0 | 0 | 0 | 114 | | |
| 520 | T | 26.4 | Very low | 27.7 | Very low | 93 Ų | 93 | 126.1 Ų | 126.1 | 57% | 0.571 | 70% | 0.7 | S | S | * | * | | | | 2.9 | 123.7 | 125.7 | -42.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 521 | V | 23.3 | Very low | 27.9 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 72% | 0.721 | 69% | 0.693 | S | S | * | * | | | | 73.3 | 156.1 | 59.1 | -177.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 522 | H | 28.7 | Very low | 27.7 | Very low | 136 Ų | 136 | 124 Ų | 124 | 63% | 0.63 | 69% | 0.69 | S | S | * | * | | | trans | 87.3 | 126.7 | -177.9 | -52.6 | -67.1 | 0 | 0 | 0 | 115.2 | | |
| 523 | Q | 22.6 | Very low | 27.3 | Very low | 157 Ų | 157 | 119.9 Ų | 119.9 | 73% | 0.734 | 69% | 0.69 | S | S | * | * | | | cis | 79.4 | 148.2 | 41 | -66.9 | 178.3 | -32.4 | 0 | 0 | 114.1 | | |
| 524 | S | 23.5 | Very low | 27 | Very low | 113 Ų | 113 | 119.2 Ų | 119.2 | 79% | 0.79 | 70% | 0.695 | S | S | * | * | | | trans | 73.9 | 140.1 | 164.4 | -63.1 | 0 | 0 | 0 | 0 | 116.9 | | |
| 525 | S | 25 | Very low | 26.6 | Very low | 93 Ų | 93 | 121.7 Ų | 121.7 | 65% | 0.65 | 70% | 0.695 | S | S | * | * | | | cis | -163.8 | 158 | -13.1 | 44.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 526 | N | 24.4 | Very low | 26.2 | Very low | 153 Ų | 153 | 122.6 Ų | 122.6 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | | | trans | 55 | 146.7 | 143.2 | -65.7 | 0.7 | 0 | 0 | 0 | 122.4 | | |
| 527 | A | 26.2 | Very low | 25.8 | Very low | 92 Ų | 92 | 125.6 Ų | 125.6 | 76% | 0.76 | 72% | 0.719 | S | S | * | * | | | trans | 68.3 | 113.1 | 149.4 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 528 | S | 23.6 | Very low | 25.8 | Very low | 110 Ų | 110 | 127 Ų | 127 | 77% | 0.769 | 72% | 0.724 | S | S | * | * | | | | 87.1 | 172.7 | 54.1 | -168.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 529 | V | 28.3 | Very low | 25.8 | Very low | 108 Ų | 108 | 128.5 Ų | 128.5 | 66% | 0.655 | 73% | 0.728 | S | S | * | * | | | trans | 56.7 | 98.9 | 175.2 | -78.3 | 0 | 0 | 0 | 0 | 117.8 | | |
| 530 | E | 25.8 | Very low | 26 | Very low | 142 Ų | 142 | 132.5 Ų | 132.5 | 66% | 0.664 | 73% | 0.733 | S | S | * | * | | | | 80.1 | 164.6 | 119.1 | -74.9 | -169.9 | 106.8 | 0 | 0 | 120.7 | | |
| 531 | H | 33 | Very low | 25.9 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 71% | 0.708 | 75% | 0.75 | S | S | * | * | | | cis | -111.5 | 144.7 | -4.5 | -74.8 | -71.7 | 0 | 0 | 0 | 110.2 | | |
| 532 | S | 26.2 | Very low | 26.1 | Very low | 93 Ų | 93 | 135.5 Ų | 135.5 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | | | | 52.7 | 111.4 | 85.5 | -128.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 533 | S | 24.7 | Very low | 26.8 | Very low | 98 Ų | 98 | 134.1 Ų | 134.1 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | | | | 65.8 | 102.4 | 60.2 | 178.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 534 | V | 26.9 | Very low | 27 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | | | trans | -133.5 | 92.4 | 155.5 | -176.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 535 | Q | 25.4 | Very low | 27.2 | Very low | 162 Ų | 162 | 133.2 Ų | 133.2 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | | | | 47.9 | 129.6 | 126 | -66.5 | 173.2 | -10 | 0 | 0 | 121.4 | | |
| 536 | T | 24 | Very low | 27.4 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | | | trans | 4.8 | 141.9 | 137.2 | 54.9 | 0 | 0 | 0 | 0 | 119.9 | | |
| 537 | E | 25 | Very low | 27.5 | Very low | 182 Ų | 182 | 130.5 Ų | 130.5 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | | | | -143.6 | 163.4 | 121.2 | -99.3 | -76 | 72.6 | 0 | 0 | 108.4 | | |
| 538 | K | 27.5 | Very low | 27.5 | Very low | 191 Ų | 191 | 131.9 Ų | 131.9 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | | | trans | -148.4 | 108.7 | -172.5 | 165.1 | -132.3 | 175.7 | -177.7 | 0 | 109.8 | | |
| 539 | D | 25.5 | Very low | 27.9 | Very low | 153 Ų | 153 | 134.1 Ų | 134.1 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | -142.6 | 165.2 | 174.6 | -133.4 | -25.8 | 0 | 0 | 0 | 116.3 | | |
| 540 | K | 30 | Very low | 28 | Very low | 180 Ų | 180 | 135.2 Ų | 135.2 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | | | trans | -109.2 | 141.3 | 175.2 | -53.8 | 165 | 177.5 | 172.8 | 0 | 108.5 | | |
| 541 | E | 25.5 | Very low | 28.3 | Very low | 196 Ų | 196 | 139 Ų | 139 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | | | | -169.3 | 166.5 | 122.9 | -113.8 | 179.9 | 101.7 | 0 | 0 | 113.1 | | |
| 542 | A | 27.4 | Very low | 28 | Very low | 78 Ų | 78 | 138.9 Ų | 138.9 | 65% | 0.645 | 79% | 0.791 | S | S | * | * | | | trans | -134.6 | 170.5 | 161 | 0 | 0 | 0 | 0 | 0 | 105.3 | | |
| 543 | P | 42.8 | Very low | 28.3 | Very low | 108 Ų | 108 | 139.2 Ų | 139.2 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | | | cis | -137.2 | -168.3 | 12.1 | 41.5 | -22.3 | 0 | 0 | 0 | 113.3 | | |
| 544 | T | 26.1 | Very low | 28.6 | Very low | 142 Ų | 142 | 140.1 Ų | 140.1 | 87% | 0.871 | 80% | 0.8 | S | S | * | * | | | trans | 162.2 | 177.9 | 132.7 | 41.9 | 0 | 0 | 0 | 0 | 110 | | |
| 545 | S | 27.8 | Very low | 29.1 | Very low | 108 Ų | 108 | 139.1 Ų | 139.1 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | | | trans | -141.6 | 153.1 | -142 | 57.1 | 0 | 0 | 0 | 0 | 116.2 | | |
| 546 | A | 28.6 | Very low | 29.8 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | | | trans | 70.2 | 146.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 547 | A | 28.1 | Very low | 30.8 | Very low | 89 Ų | 89 | 137.2 Ų | 137.2 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | | | cis | -162.6 | 152.5 | -18.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 548 | S | 26 | Very low | 31.8 | Very low | 122 Ų | 122 | 134 Ų | 134 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | | | trans | -166.4 | 156.5 | 149.8 | -90.4 | 0 | 0 | 0 | 0 | 112 | | |
| 549 | L | 32.2 | Very low | 33 | Very low | 157 Ų | 157 | 131 Ų | 131 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | | | trans | -84.9 | 150.8 | -172.1 | -67.2 | 71.6 | 0 | 0 | 0 | 112 | | |
| 550 | T | 29.1 | Very low | 35 | Very low | 131 Ų | 131 | 126.6 Ų | 126.6 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | | | | 171.9 | 167.2 | 107.2 | 37.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 551 | R | 33.2 | Very low | 36.6 | Very low | 221 Ų | 221 | 121.9 Ų | 121.9 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | | | trans | 72.6 | 88 | 168 | -50.8 | -176 | 71.1 | -163.4 | 1.2 | 116.8 | S553 | R551-S553 PolarHBondContact O-N 3.47Š|
| 552 | T | 26.6 | Very low | 38.1 | Very low | 150 Ų | 150 | 115 Ų | 115 | 92% | 0.92 | 72% | 0.723 | S | S | * | * | | | trans | -71.3 | 84.1 | 160 | 48 | 0 | 0 | 0 | 0 | 111.5 | | |
| 553 | S | 31.3 | Very low | 40 | Very low | 100 Ų | 100 | 114.9 Ų | 114.9 | 70% | 0.699 | 71% | 0.714 | S | S | * | * | | | trans | -91 | 99.6 | 159.4 | 54.8 | 0 | 0 | 0 | 0 | 109 | R551 C555 | R551-S553 PolarHBondContact O-N 3.47Å; S553-C555 PolarHBondContact O-N 2.91Å |
| 554 | S | 31.5 | Very low | 41.2 | Very low | 118 Ų | 118 | 112.5 Ų | 112.5 | 83% | 0.825 | 70% | 0.698 | S | S | * | * | | | trans | -70.5 | 97.1 | 179.5 | 55.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 555 | C | 38.1 | Very low | 43.1 | Very low | 112 Ų | 112 | 109.6 Ų | 109.6 | 76% | 0.757 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 140.7 | 167.6 | 60.6 | 0 | 0 | 0 | 0 | 110 | S553 | S553-C555 PolarHBondContact O-N 2.91Š|
| 556 | I | 39.3 | Very low | 44.9 | Very low | 142 Ų | 142 | 108.9 Ų | 108.9 | 73% | 0.728 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 123.9 | 172.2 | -59.4 | 175.1 | 0 | 0 | 0 | 107 | A558 | I556-A558 PolarHBondContact O-N 3.44Š|
| 557 | P | 45.6 | Very low | 46.7 | Very low | 101 Ų | 101 | 111.1 Ų | 111.1 | 66% | 0.656 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 137.9 | 177.8 | -24.6 | 34.6 | 0 | 0 | 0 | 111.6 | N559 | P557-N559 PolarHBondContact O-N 2.86Š|
| 558 | A | 45.8 | Very low | 48 | Very low | 115 Ų | 115 | 112.1 Ų | 112.1 | 95% | 0.95 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -70.2 | 18.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | I556 | I556-A558 PolarHBondContact O-N 3.44Š|
| 559 | N | 52.4 | Low | 49.1 | Very low | 128 Ų | 128 | 109.6 Ų | 109.6 | 68% | 0.684 | 64% | 0.642 | S | S | * | * | | | trans | -142.8 | 57.3 | 179.1 | -165.5 | 8.9 | 0 | 0 | 0 | 110.9 | P557 | P557-N559 PolarHBondContact O-N 2.86Š|
| 560 | N | 67.7 | Low | 50.5 | Low | 60 Ų | 60 | 107.8 Ų | 107.8 | 32% | 0.321 | 63% | 0.627 | S | S | . | * | | | trans | -79.6 | 117.4 | 170.3 | -179.5 | -17.7 | 0 | 0 | 0 | 109.3 | L562 V563 T564 | N560-L562 VanDerWaalsContact C-N 3.25Å; N560-L562 PolarHBondContact O-N 2.86Å; N560-L562 WeakPolarHBondContact OD1-CB 3.42Å; N560-L562 PolarHBondContact OD1-N 3.18Å; N560-V563 HydrophobicContact CB-CB 4.4Å; N560-V563 HydrophobicContact CB-CG2 3.95Å; N560-V563 PolarHBondContact O-N 2.87Å; N560-V563 VanDerWaalsContact O-N 3.09Å; N560-T564 PolarHBondContact O-N 3.49Å |
| 561 | P | 62.9 | Low | 51.7 | Low | 82 Ų | 82 | 111 Ų | 111 | 53% | 0.532 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -65.4 | -24.3 | -174.8 | 26.3 | -35 | 0 | 0 | 0 | 113.9 | T564 Q565 | P561-T564 WeakPolarHBondContact CA-OG1 3.45Å; P561-T564 PolarHBondContact O-N 2.99Å; P561-T564 PolarHBondContact O-OG1 2.77Å; P561-T564 VanDerWaalsContact O-OG1 3.12Å; P561-Q565 WeakPolarHBondContact O-CB 3.4Å; P561-Q565 WeakPolarHBondContact O-CG 3.48Å; P561-Q565 PolarHBondContact O-N 3.29Å |
| 562 | L | 57.5 | Low | 52.7 | Low | 51 Ų | 51 | 101.3 Ų | 101.3 | 27% | 0.267 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.4 | -38.7 | 174.5 | -68.1 | 162.4 | 0 | 0 | 0 | 111.1 | N560 Q565 L566 V572 | N560-L562 VanDerWaalsContact C-N 3.25Å; N560-L562 PolarHBondContact O-N 2.86Å; N560-L562 WeakPolarHBondContact OD1-CB 3.42Å; N560-L562 PolarHBondContact OD1-N 3.18Å; L562-Q565 PolarHBondContact O-N 3.44Å; L562-L566 WeakPolarHBondContact O-CB 3.48Å; L562-L566 VanDerWaalsContact O-CG 3.29Å; L562-L566 WeakPolarHBondContact O-CG 3.48Å; L562-L566 PolarHBondContact O-N 3.29Å; L562-V572 HydrophobicContact CD2-CG1 3.93Å |
| 563 | V | 68.5 | Low | 54.3 | Low | 76 Ų | 76 | 98.1 Ų | 98.1 | 46% | 0.461 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68.2 | -39.1 | 178.2 | -179.5 | 0 | 0 | 0 | 0 | 110.5 | N560 L567 | N560-V563 HydrophobicContact CB-CB 4.4Å; N560-V563 HydrophobicContact CB-CG2 3.95Å; N560-V563 PolarHBondContact O-N 2.87Å; N560-V563 VanDerWaalsContact O-N 3.09Å; V563-L567 HydrophobicContact CG1-CD1 4Å; V563-L567 WeakPolarHBondContact O-CB 3.29Å; V563-L567 VanDerWaalsContact O-CG 3.26Å; V563-L567 WeakPolarHBondContact O-CG 3.2Å; V563-L567 PolarHBondContact O-N 2.84Å |
| 564 | T | 67.4 | Low | 55.1 | Low | 57 Ų | 57 | 99.6 Ų | 99.6 | 35% | 0.35 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -74.3 | -30.2 | 176.7 | 58.3 | 0 | 0 | 0 | 0 | 113 | N560 P561 Q568 | N560-T564 PolarHBondContact O-N 3.49Å; P561-T564 WeakPolarHBondContact CA-OG1 3.45Å; P561-T564 PolarHBondContact O-N 2.99Å; P561-T564 PolarHBondContact O-OG1 2.77Å; P561-T564 VanDerWaalsContact O-OG1 3.12Å; T564-Q568 WeakPolarHBondContact O-CB 3.23Å; T564-Q568 WeakPolarHBondContact O-CG 3.42Å; T564-Q568 PolarHBondContact O-N 2.73Å; T564-Q568 VanDerWaalsContact O-N 3.11Å; T564-Q568 PolarHBondContact O-NE2 2.9Å |
| 565 | Q | 65.8 | Low | 56.3 | Low | 81 Ų | 81 | 100.3 Ų | 100.3 | 38% | 0.379 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.4 | -44.5 | 170.3 | -77.8 | 179.2 | -13 | 0 | 0 | 112.5 | P561 L562 Q568 G569 K570 V572 | P561-Q565 WeakPolarHBondContact O-CB 3.4Å; P561-Q565 WeakPolarHBondContact O-CG 3.48Å; P561-Q565 PolarHBondContact O-N 3.29Å; L562-Q565 PolarHBondContact O-N 3.44Å; Q565-Q568 WeakPolarHBondContact O-CB 3.42Å; Q565-Q568 PolarHBondContact O-N 3.16Å; Q565-Q568 VanDerWaalsContact O-N 3.11Å; Q565-G569 PolarHBondContact O-N 3Å; Q565-K570 PolarHBondContact O-N 3.17Å; Q565-V572 HydrophobicContact CB-CG2 3.97Å |
| 566 | L | 64.6 | Low | 57.3 | Low | 94 Ų | 94 | 101 Ų | 101 | 49% | 0.492 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63 | -42.4 | 175.9 | -72.9 | 166.4 | 0 | 0 | 0 | 111.8 | L562 Q568 G569 V572 | L562-L566 WeakPolarHBondContact O-CB 3.48Å; L562-L566 VanDerWaalsContact O-CG 3.29Å; L562-L566 WeakPolarHBondContact O-CG 3.48Å; L562-L566 PolarHBondContact O-N 3.29Å; L566-Q568 PolarHBondContact O-N 3.19Å; L566-G569 PolarHBondContact O-N 2.68Å; L566-V572 HydrophobicContact CD2-CG2 4.42Å; L566-V572 HydrophobicContact CG-CG2 4.45Å |
| 567 | L | 66.7 | Low | 58 | Low | 146 Ų | 146 | 98.2 Ų | 98.2 | 76% | 0.764 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.9 | -18.3 | 174.2 | -71.7 | 171.2 | 0 | 0 | 0 | 113.7 | V563 G569 | V563-L567 HydrophobicContact CG1-CD1 4Å; V563-L567 WeakPolarHBondContact O-CB 3.29Å; V563-L567 VanDerWaalsContact O-CG 3.26Å; V563-L567 WeakPolarHBondContact O-CG 3.2Å; V563-L567 PolarHBondContact O-N 2.84Å; L567-G569 VanDerWaalsContact C-N 3.3Å |
| 568 | Q | 56.5 | Low | 57.8 | Low | 111 Ų | 111 | 99 Ų | 99 | 52% | 0.519 | 55% | 0.55 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.1 | 3.9 | 170.9 | -74.7 | 170.1 | 32.7 | 0 | 0 | 113.3 | T564 Q565 L566 K570 | T564-Q568 WeakPolarHBondContact O-CB 3.23Å; T564-Q568 WeakPolarHBondContact O-CG 3.42Å; T564-Q568 PolarHBondContact O-N 2.73Å; T564-Q568 VanDerWaalsContact O-N 3.11Å; T564-Q568 PolarHBondContact O-NE2 2.9Å; Q565-Q568 WeakPolarHBondContact O-CB 3.42Å; Q565-Q568 PolarHBondContact O-N 3.16Å; Q565-Q568 VanDerWaalsContact O-N 3.11Å; L566-Q568 PolarHBondContact O-N 3.19Å; Q568-K570 VanDerWaalsContact C-N 3.27Å; Q568-K570 HydrophobicContact CB-CD 4.21Å; Q568-K570 HydrophobicContact CB-CG 4.5Å; Q568-K570 PolarHBondContact O-N 3.38Å |
| 569 | G | 48.5 | Very low | 57.8 | Low | 69 Ų | 69 | 99.4 Ų | 99.4 | 71% | 0.711 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 21.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q565 L566 L567 | Q565-G569 PolarHBondContact O-N 3Å; L566-G569 PolarHBondContact O-N 2.68Å; L567-G569 VanDerWaalsContact C-N 3.3Å |
| 570 | K | 62.2 | Low | 57.3 | Low | 119 Ų | 119 | 101.7 Ų | 101.7 | 52% | 0.517 | 55% | 0.547 | S | S | . | . | | | trans | -92.8 | 125.1 | 176.6 | -67.2 | 164.3 | -177.1 | 169.6 | 0 | 108.6 | Q565 Q568 V572 | Q565-K570 PolarHBondContact O-N 3.17Å; Q568-K570 VanDerWaalsContact C-N 3.27Å; Q568-K570 HydrophobicContact CB-CD 4.21Å; Q568-K570 HydrophobicContact CB-CG 4.5Å; Q568-K570 PolarHBondContact O-N 3.38Å; K570-V572 PolarHBondContact O-N 3.38Å; K570-V572 VanDerWaalsContact O-N 3.1Å |
| 571 | E | 53.6 | Low | 55.6 | Low | 198 Ų | 198 | 104.8 Ų | 104.8 | 93% | 0.925 | 57% | 0.57 | S | S | * | * | | | trans | -66.8 | 110.1 | 176.6 | -67.5 | -167.8 | 158.6 | 0 | 0 | 110.2 | | |
| 572 | V | 55.1 | Low | 54.1 | Low | 18 Ų | 18 | 109.3 Ų | 109.3 | 11% | 0.109 | 59% | 0.589 | C | S | . | * | | | trans | -87.3 | 120.7 | 170 | 179.1 | 0 | 0 | 0 | 0 | 107.5 | L562 Q565 L566 K570 L574 Q576 I577 | L562-V572 HydrophobicContact CD2-CG1 3.93Å; Q565-V572 HydrophobicContact CB-CG2 3.97Å; L566-V572 HydrophobicContact CD2-CG2 4.42Å; L566-V572 HydrophobicContact CG-CG2 4.45Å; K570-V572 PolarHBondContact O-N 3.38Å; K570-V572 VanDerWaalsContact O-N 3.1Å; V572-L574 PolarHBondContact O-N 3.12Å; V572-Q576 HydrophobicContact CG1-CB 4.04Å; V572-I577 HydrophobicContact CB-CD1 4.48Å; V572-I577 HydrophobicContact CG1-CD1 4.37Å; V572-I577 HydrophobicContact CG1-CG1 4.31Å |
| 573 | P | 59.4 | Low | 53.1 | Low | 82 Ų | 82 | 111.7 Ų | 111.7 | 53% | 0.532 | 61% | 0.61 | S | S | . | * | | | trans | -57.7 | 137.9 | 177.5 | -26.4 | 35.6 | 0 | 0 | 0 | 112.1 | D575 Q576 | P573-D575 PolarHBondContact O-N 3.42Å; P573-Q576 PolarHBondContact O-N 3.44Å |
| 574 | L | 47.8 | Very low | 51.5 | Low | 131 Ų | 131 | 113.2 Ų | 113.2 | 69% | 0.686 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -53.7 | -29.1 | -173.4 | -79.6 | 154.9 | 0 | 0 | 0 | 114.1 | V572 Q576 I577 L578 | V572-L574 PolarHBondContact O-N 3.12Å; L574-Q576 PolarHBondContact O-N 2.96Å; L574-Q576 VanDerWaalsContact O-N 3.09Å; L574-I577 PolarHBondContact O-N 2.92Å; L574-L578 PolarHBondContact O-N 3.22Å |
| 575 | D | 57.8 | Low | 49.9 | Very low | 133 Ų | 133 | 116.7 Ų | 116.7 | 71% | 0.711 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -59.5 | -15.7 | 176.3 | -64.6 | -18.4 | 0 | 0 | 0 | 114.8 | P573 | P573-D575 PolarHBondContact O-N 3.42Š|
| 576 | Q | 58.3 | Low | 48.1 | Very low | 126 Ų | 126 | 119.2 Ų | 119.2 | 59% | 0.589 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -95.6 | -8.4 | 174.2 | -66.5 | -166.8 | 52.1 | 0 | 0 | 114.1 | V572 P573 L574 | V572-Q576 HydrophobicContact CG1-CB 4.04Å; P573-Q576 PolarHBondContact O-N 3.44Å; L574-Q576 PolarHBondContact O-N 2.96Å; L574-Q576 VanDerWaalsContact O-N 3.09Å |
| 577 | I | 54 | Low | 46.6 | Very low | 85 Ų | 85 | 121.4 Ų | 121.4 | 44% | 0.436 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.4 | -23 | -175.1 | -56.6 | 177.5 | 0 | 0 | 0 | 111.1 | V572 L574 | V572-I577 HydrophobicContact CB-CD1 4.48Å; V572-I577 HydrophobicContact CG1-CD1 4.37Å; V572-I577 HydrophobicContact CG1-CG1 4.31Å; L574-I577 PolarHBondContact O-N 2.92Å |
| 578 | L | 41.3 | Very low | 44.7 | Very low | 118 Ų | 118 | 124.7 Ų | 124.7 | 62% | 0.618 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -85 | 133.2 | 176 | -63.6 | 174.6 | 0 | 0 | 0 | 111.8 | L574 K580 | L574-L578 PolarHBondContact O-N 3.22Å; L578-K580 PolarHBondContact O-N 3.49Å |
| 579 | P | 45.3 | Very low | 43.5 | Very low | 123 Ų | 123 | 125.2 Ų | 125.2 | 80% | 0.799 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 128.2 | 167.7 | -21.2 | 33 | 0 | 0 | 0 | 110.6 | | |
| 580 | K | 41.8 | Very low | 42.5 | Very low | 176 Ų | 176 | 127.8 Ų | 127.8 | 77% | 0.765 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 134.5 | 175.4 | -67.2 | 174.2 | -178.3 | 173.5 | 0 | 109.5 | L578 L582 | L578-K580 PolarHBondContact O-N 3.49Å; K580-L582 PolarHBondContact O-N 2.65Å |
| 581 | P | 33.6 | Very low | 40.9 | Very low | 125 Ų | 125 | 125.5 Ų | 125.5 | 81% | 0.812 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 127.2 | 177.3 | 26.7 | -33.6 | 0 | 0 | 0 | 109.8 | S583 | P581-S583 PolarHBondContact O-N 2.99Š|
| 582 | L | 31.1 | Very low | 39.7 | Very low | 176 Ų | 176 | 125.5 Ų | 125.5 | 92% | 0.921 | 70% | 0.702 | S | S | * | * | | | trans | -78.1 | 107 | 175.2 | -66.2 | 176.5 | 0 | 0 | 0 | 109.3 | K580 | K580-L582 PolarHBondContact O-N 2.65Š|
| 583 | S | 35.4 | Very low | 38.4 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | | | trans | -75.9 | 162 | 167.5 | 55.3 | 0 | 0 | 0 | 0 | 111.6 | P581 | P581-S583 PolarHBondContact O-N 2.99Š|
| 584 | S | 36.5 | Very low | 36.9 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | | | trans | 57.3 | 90.7 | 171.7 | 55.3 | 0 | 0 | 0 | 0 | 116.7 | D586 | S584-D586 PolarHBondContact O-N 3.1Š|
| 585 | T | 32.1 | Very low | 36 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | | | trans | -77 | 98.5 | 157.3 | -41.4 | 0 | 0 | 0 | 0 | 109.2 | I587 | T585-I587 HydrophobicContact CG2-CD1 4.22Å; T585-I587 HydrophobicContact CG2-CG1 3.85Å; T585-I587 PolarHBondContact O-N 3.28Å |
| 586 | D | 28.8 | Very low | 34.8 | Very low | 134 Ų | 134 | 127.5 Ų | 127.5 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | | | trans | -88.3 | 82.9 | 179.1 | -157.5 | -12.8 | 0 | 0 | 0 | 110.6 | S584 R588 | S584-D586 PolarHBondContact O-N 3.1Å; D586-R588 VanDerWaalsContact C-N 3.34Å; D586-R588 PolarHBondContact O-N 2.88Å |
| 587 | I | 33 | Very low | 33.5 | Very low | 140 Ų | 140 | 131.7 Ų | 131.7 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | | | trans | -80.2 | 83.6 | 175.5 | -55.7 | -175.1 | 0 | 0 | 0 | 109.3 | T585 V589 | T585-I587 HydrophobicContact CG2-CD1 4.22Å; T585-I587 HydrophobicContact CG2-CG1 3.85Å; T585-I587 PolarHBondContact O-N 3.28Å; I587-V589 PolarHBondContact O-N 3.26Å |
| 588 | R | 26.9 | Very low | 32.4 | Very low | 215 Ų | 215 | 131.3 Ų | 131.3 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | | | trans | -81.7 | 101 | 168.5 | -171.5 | 173.8 | -65 | -141 | -0.1 | 110.6 | D586 | D586-R588 VanDerWaalsContact C-N 3.34Å; D586-R588 PolarHBondContact O-N 2.88Å |
| 589 | V | 30.6 | Very low | 31.8 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 75% | 0.745 | 80% | 0.8 | S | S | * | * | | | trans | -61.9 | 145.1 | 166.9 | 177.3 | 0 | 0 | 0 | 0 | 109.8 | I587 | I587-V589 PolarHBondContact O-N 3.26Š|
| 590 | S | 28.7 | Very low | 31 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | -67.6 | 130.7 | 179.6 | -171.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 591 | G | 27.2 | Very low | 30.3 | Very low | 70 Ų | 70 | 131.6 Ų | 131.6 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | | | trans | -156.9 | 131.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 592 | Q | 28.5 | Very low | 30.3 | Very low | 199 Ų | 199 | 134.1 Ų | 134.1 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | | | trans | -81.4 | 136.4 | 179.8 | -60.8 | 166.8 | -65.7 | 0 | 0 | 110.8 | | |
| 593 | A | 28.1 | Very low | 30 | Very low | 103 Ų | 103 | 134.7 Ų | 134.7 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | | | trans | -176.2 | 150.9 | 134.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 594 | S | 29 | Very low | 29.8 | Very low | 130 Ų | 130 | 134.6 Ų | 134.6 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | | | trans | -45.9 | 160.6 | 167.9 | -172.4 | 0 | 0 | 0 | 0 | 116.8 | | |
| 595 | G | 28.1 | Very low | 29.4 | Very low | 63 Ų | 63 | 135.1 Ų | 135.1 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | | | trans | 150.1 | 81.5 | 151 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 596 | S | 32.4 | Very low | 29.5 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | | | trans | 25.9 | 126.2 | 140.4 | 59.8 | 0 | 0 | 0 | 0 | 124.4 | | |
| 597 | K | 31.7 | Very low | 29.6 | Very low | 214 Ų | 214 | 140.7 Ų | 140.7 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | | | | 54.1 | 141.7 | 127.7 | -68.1 | -177.4 | 174.4 | 178.7 | 0 | 123.3 | | |
| 598 | G | 29.6 | Very low | 29.4 | Very low | 78 Ų | 78 | 137.7 Ų | 137.7 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | 98.6 | 120.8 | 152.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 599 | K | 30.5 | Very low | 29.5 | Very low | 193 Ų | 193 | 134.4 Ų | 134.4 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | | | cis | 93.4 | 80.4 | 12.5 | -154.7 | 179.5 | 179.7 | 179 | 0 | 118.3 | | |
| 600 | T | 28 | Very low | 29.7 | Very low | 108 Ų | 108 | 138 Ų | 138 | 66% | 0.663 | 79% | 0.79 | S | S | * | * | | | trans | 81.5 | 161.1 | 133.6 | -49.9 | 0 | 0 | 0 | 0 | 119.3 | | |
| 601 | T | 27.4 | Very low | 29.7 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | 81.4 | 121.7 | -176.4 | 63.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 602 | H | 32 | Very low | 30 | Very low | 178 Ų | 178 | 141.9 Ų | 141.9 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | | | cis | 66.4 | 131.3 | 38.3 | -80.9 | -95.4 | 0 | 0 | 0 | 115.6 | | |
| 603 | F | 26.4 | Very low | 30.6 | Very low | 188 Ų | 188 | 137.5 Ų | 137.5 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | | | trans | 148.9 | 145.2 | 147.3 | -98.8 | -121.8 | 0 | 0 | 0 | 109.9 | | |
| 604 | V | 30.2 | Very low | 31.2 | Very low | 99 Ų | 99 | 137.8 Ų | 137.8 | 60% | 0.6 | 77% | 0.766 | S | S | * | * | | | cis | -168.9 | 170.7 | -15.6 | 87 | 0 | 0 | 0 | 0 | 111.7 | | |
| 605 | D | 28.5 | Very low | 31.2 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | | | trans | 59.5 | 158 | 154.5 | -81.5 | -138.2 | 0 | 0 | 0 | 123.6 | | |
| 606 | H | 34.6 | Very low | 31.2 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | | | cis | -172.2 | 170.1 | -34.9 | -116.4 | -2.9 | 0 | 0 | 0 | 113 | | |
| 607 | K | 30.9 | Very low | 31 | Very low | 215 Ų | 215 | 143.3 Ų | 143.3 | 94% | 0.935 | 77% | 0.766 | S | S | * | * | | | trans | 83.6 | 127 | 150.1 | -149.7 | 172.5 | -174.1 | 178.5 | 0 | 119.6 | | |
| 608 | G | 27.9 | Very low | 30.9 | Very low | 78 Ų | 78 | 139.2 Ų | 139.2 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | trans | 175.2 | 37.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 609 | D | 30.1 | Very low | 30.8 | Very low | 146 Ų | 146 | 139.8 Ų | 139.8 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | | | trans | 55.1 | 130.1 | 163.6 | -107.8 | -48.6 | 0 | 0 | 0 | 126 | | |
| 610 | R | 33.5 | Very low | 30.8 | Very low | 198 Ų | 198 | 137.7 Ų | 137.7 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | | | trans | 32.2 | 120.1 | 149.1 | -79.5 | 172.4 | 177 | -76.4 | -2.8 | 126.8 | | |
| 611 | H | 28.5 | Very low | 30.9 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 68% | 0.681 | 77% | 0.769 | S | S | * | * | | | | 95.2 | 90.5 | 123 | -95.2 | -118 | 0 | 0 | 0 | 124.4 | | |
| 612 | V | 33.9 | Very low | 30.8 | Very low | 127 Ų | 127 | 142.5 Ų | 142.5 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | | | | 78.4 | 142.6 | 115.9 | 167.2 | 0 | 0 | 0 | 0 | 120.4 | | |
| 613 | P | 42.2 | Very low | 30.7 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | | | trans | -119.4 | -165.5 | -156.2 | 40.7 | -22.9 | 0 | 0 | 0 | 114.3 | | |
| 614 | P | 40 | Very low | 30.8 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | | | | -151.3 | 156 | 98.2 | 39.4 | -22.9 | 0 | 0 | 0 | 117.8 | | |
| 615 | Q | 28.9 | Very low | 30.7 | Very low | 191 Ų | 191 | 139.9 Ų | 139.9 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | | | trans | 58.9 | 151.7 | 147.7 | -70 | -177.9 | 7.4 | 0 | 0 | 120.9 | | |
| 616 | A | 28.3 | Very low | 30.9 | Very low | 79 Ų | 79 | 140.5 Ų | 140.5 | 65% | 0.653 | 80% | 0.795 | S | S | * | * | | | cis | -161 | 155.2 | -18.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 617 | N | 29 | Very low | 30.8 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | | | trans | 46.6 | 100.4 | 151.5 | -64.1 | -7 | 0 | 0 | 0 | 122.8 | | |
| 618 | T | 28.3 | Very low | 30.9 | Very low | 129 Ų | 129 | 140.7 Ų | 140.7 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | | | | 66.7 | 114.4 | 109.9 | -49.2 | 0 | 0 | 0 | 0 | 122 | | |
| 619 | A | 28.8 | Very low | 31.1 | Very low | 90 Ų | 90 | 144.5 Ų | 144.5 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | | | trans | 71.9 | 126.4 | 147.2 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 620 | V | 29.6 | Very low | 31.3 | Very low | 148 Ų | 148 | 148.2 Ų | 148.2 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | | | | -161.1 | 169.8 | 111.2 | 139.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 621 | R | 29.3 | Very low | 31.9 | Very low | 229 Ų | 229 | 146.9 Ų | 146.9 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | | | trans | -91.4 | 158 | -167.5 | -61.2 | 168.9 | 168.2 | 155.4 | -7.5 | 114.6 | | |
| 622 | A | 25.9 | Very low | 33.3 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | | | trans | 67.8 | 159.7 | 146.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 623 | A | 30.5 | Very low | 34.6 | Very low | 102 Ų | 102 | 144.5 Ų | 144.5 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | | | cis | -140 | 142.5 | 6.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 624 | E | 28.1 | Very low | 36.2 | Very low | 194 Ų | 194 | 145.3 Ų | 145.3 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | | | trans | -105 | 147.2 | 173.6 | -166.7 | 163.4 | -143.7 | 0 | 0 | 110.8 | | |
| 625 | C | 27.6 | Very low | 37.9 | Very low | 114 Ų | 114 | 147 Ų | 147 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | | | trans | -97 | 101.1 | -165.7 | -177.2 | 0 | 0 | 0 | 0 | 113 | K627 | C625-K627 PolarHBondContact O-N 3.48Š|
| 626 | T | 32.2 | Very low | 40.3 | Very low | 132 Ų | 132 | 145 Ų | 145 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | | | trans | -82.1 | 106.4 | 171 | -12.9 | 0 | 0 | 0 | 0 | 111.1 | H628 | T626-H628 PolarHBondContact O-N 2.96Š|
| 627 | K | 33.1 | Very low | 42.8 | Very low | 191 Ų | 191 | 144.4 Ų | 144.4 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 128.9 | 166.7 | -65.7 | 171.6 | -178.2 | 170.6 | 0 | 108.9 | C625 H629 | C625-K627 PolarHBondContact O-N 3.48Å; K627-H629 PolarHBondContact O-N 2.88Å |
| 628 | H | 33.9 | Very low | 45.3 | Very low | 193 Ų | 193 | 143.2 Ų | 143.2 | 89% | 0.894 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 120.9 | 173.8 | -83 | -83.7 | 0 | 0 | 0 | 110.9 | T626 | T626-H628 PolarHBondContact O-N 2.96Š|
| 629 | H | 31.1 | Very low | 47.8 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 73% | 0.731 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 140 | 170.2 | -173.7 | -100 | 0 | 0 | 0 | 109.9 | K627 | K627-H629 PolarHBondContact O-N 2.88Š|
| 630 | R | 35.6 | Very low | 50.3 | Low | 223 Ų | 223 | 143 Ų | 143 | 84% | 0.842 | 73% | 0.728 | S | S | * | * | | | trans | -102.5 | 101.8 | 174.6 | -177.6 | -176.2 | -173.3 | 177.2 | 3.3 | 107.7 | | |
| 631 | E | 44.2 | Very low | 53 | Low | 170 Ų | 170 | 140.4 Ų | 140.4 | 79% | 0.794 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 141.6 | 175.2 | -69.7 | 176.4 | 132.2 | 0 | 0 | 110.8 | | |
| 632 | L | 58.1 | Low | 55.7 | Low | 144 Ų | 144 | 134.2 Ų | 134.2 | 75% | 0.754 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 149.4 | 169 | -74.1 | 96.7 | 0 | 0 | 0 | 108.8 | | |
| 633 | P | 62.7 | Low | 58.3 | Low | 81 Ų | 81 | 135.7 Ų | 135.7 | 53% | 0.526 | 68% | 0.681 | S | S | . | * | P | Polyproline II helix | trans | -64.7 | 148.4 | 176.3 | 28.9 | -35.7 | 0 | 0 | 0 | 111.3 | T637 | P633-T637 HydrophobicContact CB-CG2 4.08Š|
| 634 | D | 75.9 | Confident | 60.9 | Low | 125 Ų | 125 | 134 Ų | 134 | 67% | 0.668 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 151.6 | -177.2 | -71.5 | -67.9 | 0 | 0 | 0 | 113.9 | E636 T637 Q638 | D634-E636 PolarHBondContact O-N 3.21Å; D634-T637 WeakPolarHBondContact O-CA 3.46Å; D634-T637 VanDerWaalsContact O-CB 3.3Å; D634-T637 WeakPolarHBondContact O-CB 3.16Å; D634-T637 PolarHBondContact O-N 3.38Å; D634-Q638 PolarHBondContact O-N 2.89Å |
| 635 | K | 75.3 | Confident | 63.6 | Low | 143 Ų | 143 | 129.1 Ų | 129.1 | 62% | 0.622 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -54.3 | -38 | -177.7 | -173.1 | 174.9 | 178.3 | -65.7 | 0 | 113 | Q638 E639 | K635-Q638 PolarHBondContact O-N 3.26Å; K635-E639 WeakPolarHBondContact CE-OE1 3.32Å; K635-E639 IonicContact NZ-OE1 2.61Å; K635-E639 PolarHBondContact NZ-OE1 2.93Å; K635-E639 IonicContact NZ-OE2 3.79Å; K635-E639 WeakPolarHBondContact O-CB 3.45Å; K635-E639 WeakPolarHBondContact O-CG 3.4Å; K635-E639 PolarHBondContact O-N 3.39Å |
| 636 | E | 78.8 | Confident | 66.1 | Low | 149 Ų | 149 | 129.8 Ų | 129.8 | 70% | 0.696 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -62.5 | -43.7 | 173.4 | -175.2 | 176.6 | -175.9 | 0 | 0 | 111.7 | D634 Q638 E639 Q640 | D634-E636 PolarHBondContact O-N 3.21Å; E636-Q638 VanDerWaalsContact C-N 3.34Å; E636-Q638 PolarHBondContact O-N 3.41Å; E636-E639 PolarHBondContact O-N 3.19Å; E636-Q640 WeakPolarHBondContact O-CB 3.36Å; E636-Q640 PolarHBondContact O-N 3.44Å |
| 637 | T | 81.8 | Confident | 68.2 | Low | 67 Ų | 67 | 130.2 Ų | 130.2 | 41% | 0.411 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -63.7 | -39.8 | 175 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | P633 D634 Q640 I641 | P633-T637 HydrophobicContact CB-CG2 4.08Å; D634-T637 WeakPolarHBondContact O-CA 3.46Å; D634-T637 VanDerWaalsContact O-CB 3.3Å; D634-T637 WeakPolarHBondContact O-CB 3.16Å; D634-T637 PolarHBondContact O-N 3.38Å; T637-Q640 PolarHBondContact O-N 3.17Å; T637-I641 HydrophobicContact CG2-CD1 3.99Å; T637-I641 WeakPolarHBondContact O-CD1 3.42Å; T637-I641 VanDerWaalsContact O-CG1 3.25Å; T637-I641 WeakPolarHBondContact O-CG1 3.49Å; T637-I641 PolarHBondContact O-N 2.76Å |
| 638 | Q | 80.9 | Confident | 70.2 | Confident | 123 Ų | 123 | 127.9 Ų | 127.9 | 58% | 0.575 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65 | -38.9 | 176.1 | -174.7 | 173.5 | -18.4 | 0 | 0 | 112.2 | D634 K635 E636 L642 | D634-Q638 PolarHBondContact O-N 2.89Å; K635-Q638 PolarHBondContact O-N 3.26Å; E636-Q638 VanDerWaalsContact C-N 3.34Å; E636-Q638 PolarHBondContact O-N 3.41Å; Q638-L642 WeakPolarHBondContact O-CB 3.23Å; Q638-L642 PolarHBondContact O-N 2.79Å |
| 639 | E | 80.4 | Confident | 72.1 | Confident | 99 Ų | 99 | 125.5 Ų | 125.5 | 46% | 0.463 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -71.4 | -39.7 | 176 | -75.8 | 169.4 | -167.5 | 0 | 0 | 112 | K635 E636 I641 L642 Q643 | K635-E639 WeakPolarHBondContact CE-OE1 3.32Å; K635-E639 IonicContact NZ-OE1 2.61Å; K635-E639 PolarHBondContact NZ-OE1 2.93Å; K635-E639 IonicContact NZ-OE2 3.79Å; K635-E639 WeakPolarHBondContact O-CB 3.45Å; K635-E639 WeakPolarHBondContact O-CG 3.4Å; K635-E639 PolarHBondContact O-N 3.39Å; E636-E639 PolarHBondContact O-N 3.19Å; E639-I641 VanDerWaalsContact C-N 3.32Å; E639-I641 PolarHBondContact O-N 3.03Å; E639-L642 PolarHBondContact O-N 3.04Å; E639-Q643 WeakPolarHBondContact O-CB 3.43Å; E639-Q643 PolarHBondContact O-N 3.03Å |
| 640 | Q | 80.7 | Confident | 73.9 | Confident | 116 Ų | 116 | 121.2 Ų | 121.2 | 54% | 0.542 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -57.1 | -44 | 172.3 | -153.4 | 86.1 | -34.6 | 0 | 0 | 111.6 | E636 T637 T644 | E636-Q640 WeakPolarHBondContact O-CB 3.36Å; E636-Q640 PolarHBondContact O-N 3.44Å; T637-Q640 PolarHBondContact O-N 3.17Å; Q640-T644 WeakPolarHBondContact O-CB 3.21Å; Q640-T644 PolarHBondContact O-N 3.28Å; Q640-T644 PolarHBondContact O-OG1 3.4Å |
| 641 | I | 88 | Confident | 75.3 | Confident | 92 Ų | 92 | 118 Ų | 118 | 47% | 0.472 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.1 | -45.1 | 176 | -70.2 | 166.1 | 0 | 0 | 0 | 110.7 | T637 E639 T644 L645 | T637-I641 HydrophobicContact CG2-CD1 3.99Å; T637-I641 WeakPolarHBondContact O-CD1 3.42Å; T637-I641 VanDerWaalsContact O-CG1 3.25Å; T637-I641 WeakPolarHBondContact O-CG1 3.49Å; T637-I641 PolarHBondContact O-N 2.76Å; E639-I641 VanDerWaalsContact C-N 3.32Å; E639-I641 PolarHBondContact O-N 3.03Å; I641-T644 PolarHBondContact O-N 3.08Å; I641-L645 HydrophobicContact CG2-CD1 3.97Å; I641-L645 WeakPolarHBondContact O-CG 3.46Å; I641-L645 PolarHBondContact O-N 2.83Å |
| 642 | L | 84.6 | Confident | 75.9 | Confident | 100 Ų | 100 | 116.9 Ų | 116.9 | 52% | 0.524 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62 | -45 | 179 | 179.8 | 59.7 | 0 | 0 | 0 | 111.8 | Q638 E639 L645 M646 | Q638-L642 WeakPolarHBondContact O-CB 3.23Å; Q638-L642 PolarHBondContact O-N 2.79Å; E639-L642 PolarHBondContact O-N 3.04Å; L642-L645 PolarHBondContact O-N 2.81Å; L642-M646 HydrophobicContact CG-SD 4.41Å; L642-M646 WeakPolarHBondContact O-CG 3.11Å; L642-M646 PolarHBondContact O-N 2.6Å |
| 643 | Q | 81.3 | Confident | 75.8 | Confident | 133 Ų | 133 | 117.5 Ų | 117.5 | 62% | 0.621 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.4 | -41.3 | 178.4 | -162.8 | 170.4 | 43.4 | 0 | 0 | 111.4 | E639 L645 M646 Q647 | E639-Q643 WeakPolarHBondContact O-CB 3.43Å; E639-Q643 PolarHBondContact O-N 3.03Å; Q643-L645 VanDerWaalsContact C-N 3.33Å; Q643-L645 PolarHBondContact O-N 3.01Å; Q643-M646 PolarHBondContact O-N 3.03Å; Q643-Q647 WeakPolarHBondContact O-CB 3.45Å; Q643-Q647 PolarHBondContact O-N 2.98Å |
| 644 | T | 85.7 | Confident | 75 | Confident | 68 Ų | 68 | 117.9 Ų | 117.9 | 42% | 0.417 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -59.6 | -41.2 | 172.6 | -58.1 | 0 | 0 | 0 | 0 | 112.2 | Q640 I641 R648 | Q640-T644 WeakPolarHBondContact O-CB 3.21Å; Q640-T644 PolarHBondContact O-N 3.28Å; Q640-T644 PolarHBondContact O-OG1 3.4Å; I641-T644 PolarHBondContact O-N 3.08Å; T644-R648 WeakPolarHBondContact O-CB 3.16Å; T644-R648 PolarHBondContact O-N 3.11Å |
| 645 | L | 83.4 | Confident | 73.6 | Confident | 90 Ų | 90 | 119.6 Ų | 119.6 | 47% | 0.471 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -69.4 | -39 | 177.3 | -72.6 | 170.2 | 0 | 0 | 0 | 112.3 | I641 L642 Q643 R648 K649 | I641-L645 HydrophobicContact CG2-CD1 3.97Å; I641-L645 WeakPolarHBondContact O-CG 3.46Å; I641-L645 PolarHBondContact O-N 2.83Å; L642-L645 PolarHBondContact O-N 2.81Å; Q643-L645 VanDerWaalsContact C-N 3.33Å; Q643-L645 PolarHBondContact O-N 3.01Å; L645-R648 PolarHBondContact O-N 3.39Å; L645-K649 WeakPolarHBondContact O-CB 3.43Å; L645-K649 PolarHBondContact O-N 3.15Å |
| 646 | M | 80.1 | Confident | 72.1 | Confident | 128 Ų | 128 | 118 Ų | 118 | 63% | 0.631 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.7 | -43.3 | 174.6 | -73 | -179.7 | 66.8 | 0 | 0 | 111.8 | L642 Q643 K649 A650 | L642-M646 HydrophobicContact CG-SD 4.41Å; L642-M646 WeakPolarHBondContact O-CG 3.11Å; L642-M646 PolarHBondContact O-N 2.6Å; Q643-M646 PolarHBondContact O-N 3.03Å; M646-K649 PolarHBondContact O-N 2.97Å; M646-A650 PolarHBondContact O-N 3.04Å |
| 647 | Q | 76.2 | Confident | 70.7 | Confident | 142 Ų | 142 | 117.3 Ų | 117.3 | 66% | 0.664 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.9 | -41.9 | 177.6 | -163.8 | 169.3 | 24.9 | 0 | 0 | 111.7 | Q643 K649 A650 Q651 | Q643-Q647 WeakPolarHBondContact O-CB 3.45Å; Q643-Q647 PolarHBondContact O-N 2.98Å; Q647-K649 VanDerWaalsContact C-N 3.35Å; Q647-K649 PolarHBondContact O-N 2.98Å; Q647-A650 PolarHBondContact O-N 2.75Å; Q647-Q651 PolarHBondContact O-N 3.15Å |
| 648 | R | 76.6 | Confident | 68.4 | Low | 142 Ų | 142 | 118 Ų | 118 | 54% | 0.536 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -62.5 | -38.5 | 173.2 | -172.4 | 178.2 | -64.2 | 153.2 | 3 | 112.5 | T644 L645 Q651 Q652 | T644-R648 WeakPolarHBondContact O-CB 3.16Å; T644-R648 PolarHBondContact O-N 3.11Å; L645-R648 PolarHBondContact O-N 3.39Å; R648-Q651 PolarHBondContact O-N 2.93Å; R648-Q652 PolarHBondContact O-N 3.05Å |
| 649 | K | 73 | Confident | 66.1 | Low | 143 Ų | 143 | 115.6 Ų | 115.6 | 62% | 0.622 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.5 | -44.2 | 177.1 | -174.3 | 177.2 | 179.3 | -179.5 | 0 | 111.7 | L645 M646 Q647 Q651 Q652 Q653 | L645-K649 WeakPolarHBondContact O-CB 3.43Å; L645-K649 PolarHBondContact O-N 3.15Å; M646-K649 PolarHBondContact O-N 2.97Å; Q647-K649 VanDerWaalsContact C-N 3.35Å; Q647-K649 PolarHBondContact O-N 2.98Å; K649-Q651 VanDerWaalsContact C-N 3.28Å; K649-Q651 PolarHBondContact O-N 2.68Å; K649-Q652 PolarHBondContact O-N 3.44Å; K649-Q653 PolarHBondContact O-N 3.11Å |
| 650 | A | 68.6 | Low | 64 | Low | 67 Ų | 67 | 116.1 Ų | 116.1 | 55% | 0.554 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -58 | -42 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M646 Q647 Q652 Q653 | M646-A650 PolarHBondContact O-N 3.04Å; Q647-A650 PolarHBondContact O-N 2.75Å; A650-Q652 VanDerWaalsContact C-N 3.31Å; A650-Q652 PolarHBondContact O-N 2.85Å; A650-Q653 PolarHBondContact O-N 3.12Å |
| 651 | Q | 64.8 | Low | 61.5 | Low | 155 Ų | 155 | 114 Ų | 114 | 72% | 0.724 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -73.9 | -16.2 | -179.7 | -161.7 | 170 | 9.2 | 0 | 0 | 114.4 | Q647 R648 K649 | Q647-Q651 PolarHBondContact O-N 3.15Å; R648-Q651 PolarHBondContact O-N 2.93Å; K649-Q651 VanDerWaalsContact C-N 3.28Å; K649-Q651 PolarHBondContact O-N 2.68Å |
| 652 | Q | 57.7 | Low | 59.3 | Low | 147 Ų | 147 | 115.9 Ų | 115.9 | 69% | 0.687 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -87.5 | -16.8 | 171.6 | -76.1 | -175.6 | -23 | 0 | 0 | 113.4 | R648 K649 A650 S654 | R648-Q652 PolarHBondContact O-N 3.05Å; K649-Q652 PolarHBondContact O-N 3.44Å; A650-Q652 VanDerWaalsContact C-N 3.31Å; A650-Q652 PolarHBondContact O-N 2.85Å; Q652-S654 VanDerWaalsContact C-N 3.31Å; Q652-S654 PolarHBondContact O-N 2.81Å |
| 653 | Q | 55.1 | Low | 57 | Low | 157 Ų | 157 | 118.8 Ų | 118.8 | 73% | 0.734 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -89.1 | 6.7 | -173 | -154.6 | 162.9 | 0.7 | 0 | 0 | 113.8 | K649 A650 | K649-Q653 PolarHBondContact O-N 3.11Å; A650-Q653 PolarHBondContact O-N 3.12Å |
| 654 | S | 47.2 | Very low | 54.8 | Low | 90 Ų | 90 | 118.8 Ų | 118.8 | 63% | 0.629 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -110.8 | 30 | -178.6 | 70.2 | 0 | 0 | 0 | 0 | 114.1 | Q652 | Q652-S654 VanDerWaalsContact C-N 3.31Å; Q652-S654 PolarHBondContact O-N 2.81Å |
| 655 | Q | 46.6 | Very low | 52.2 | Low | 160 Ų | 160 | 119.5 Ų | 119.5 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | | | trans | -122.4 | 121.5 | 175.2 | -76.4 | -71.8 | -1.6 | 0 | 0 | 109.9 | | |
| 656 | P | 43.1 | Very low | 49.7 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 71% | 0.714 | 73% | 0.734 | S | S | * | * | | | trans | -81.7 | 146.2 | 179.9 | 32.7 | -34 | 0 | 0 | 0 | 112.2 | | |
| 657 | P | 49.7 | Very low | 47.3 | Very low | 135 Ų | 135 | 124.7 Ų | 124.7 | 88% | 0.877 | 74% | 0.737 | S | S | * | * | | | trans | -86 | 145.6 | 174.8 | 34.4 | -33.7 | 0 | 0 | 0 | 112.2 | | |
| 658 | G | 32.6 | Very low | 44.9 | Very low | 82 Ų | 82 | 128.1 Ų | 128.1 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | | | trans | -168.5 | 153.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 659 | G | 33 | Very low | 42.6 | Very low | 71 Ų | 71 | 127.6 Ų | 127.6 | 73% | 0.732 | 76% | 0.756 | S | S | * | * | | | trans | -156.3 | 167.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 660 | A | 36.8 | Very low | 40.9 | Very low | 110 Ų | 110 | 125.9 Ų | 125.9 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | | | trans | 65.1 | 152.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 661 | G | 27.8 | Very low | 38.9 | Very low | 72 Ų | 72 | 131.6 Ų | 131.6 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | | | trans | -95.8 | -160.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 662 | P | 41.3 | Very low | 37 | Very low | 132 Ų | 132 | 132.5 Ų | 132.5 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | | | cis | -122.6 | -167.1 | 14.2 | 42.2 | -28.4 | 0 | 0 | 0 | 115 | | |
| 663 | L | 35.8 | Very low | 35.5 | Very low | 161 Ų | 161 | 133.6 Ų | 133.6 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | | | trans | -66.7 | 154.7 | 178.4 | -65.2 | 166.8 | 0 | 0 | 0 | 113.1 | | |
| 664 | P | 35.8 | Very low | 34.4 | Very low | 132 Ų | 132 | 134.3 Ų | 134.3 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | | | | -133 | 176.7 | 91.6 | 38.2 | -28.2 | 0 | 0 | 0 | 114.2 | | |
| 665 | A | 31.5 | Very low | 33.4 | Very low | 84 Ų | 84 | 135 Ų | 135 | 69% | 0.694 | 81% | 0.805 | S | S | * | * | | | trans | -117.4 | 151.6 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 666 | H | 31.5 | Very low | 32.4 | Very low | 175 Ų | 175 | 134.3 Ų | 134.3 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | | | trans | -154.9 | 114.3 | 156.5 | -108.5 | -88.7 | 0 | 0 | 0 | 113.8 | | |
| 667 | H | 29.1 | Very low | 31.7 | Very low | 152 Ų | 152 | 136.1 Ų | 136.1 | 70% | 0.704 | 80% | 0.801 | S | S | * | * | | | trans | 48.2 | 94.3 | 142.6 | -69.7 | 84.5 | 0 | 0 | 0 | 124 | | |
| 668 | R | 26 | Very low | 30.6 | Very low | 214 Ų | 214 | 135 Ų | 135 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | | | | 72.9 | 105 | 103.5 | -165.7 | 176.9 | -164.3 | -175.5 | 6.5 | 122.5 | | |
| 669 | V | 27.5 | Very low | 30.4 | Very low | 130 Ų | 130 | 141 Ų | 141 | 79% | 0.788 | 79% | 0.792 | S | S | * | * | | | trans | 72.1 | 152.4 | 136.3 | 169.7 | 0 | 0 | 0 | 0 | 117.2 | | |
| 670 | P | 36.9 | Very low | 30 | Very low | 108 Ų | 108 | 146.7 Ų | 146.7 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | | | cis | -128.3 | 153.1 | 14.2 | 17.9 | 8 | 0 | 0 | 0 | 120.1 | | |
| 671 | Q | 27.2 | Very low | 29.7 | Very low | 186 Ų | 186 | 149.9 Ų | 149.9 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | | | | 42.7 | 119.7 | 125.4 | -156.5 | 161 | 4.9 | 0 | 0 | 121.8 | | |
| 672 | M | 25.1 | Very low | 29.8 | Very low | 175 Ų | 175 | 151.8 Ų | 151.8 | 86% | 0.862 | 80% | 0.798 | S | S | * | * | | | trans | -86.2 | 162.6 | 165.5 | -62.9 | -153.3 | -51.7 | 0 | 0 | 113.5 | | |
| 673 | L | 26.6 | Very low | 29.4 | Very low | 169 Ų | 169 | 157.4 Ų | 157.4 | 89% | 0.885 | 80% | 0.802 | S | S | * | * | | | trans | -118.5 | 163.3 | 159.1 | -80.1 | 173.6 | 0 | 0 | 0 | 111.3 | | |
| 674 | H | 32.1 | Very low | 29.2 | Very low | 173 Ų | 173 | 156.8 Ų | 156.8 | 80% | 0.801 | 80% | 0.804 | S | S | * | * | | | trans | -70.9 | 152.8 | -172.3 | -100.7 | 54.8 | 0 | 0 | 0 | 115.5 | | |
| 675 | A | 25.3 | Very low | 29.2 | Very low | 105 Ų | 105 | 158.1 Ų | 158.1 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | | | trans | -151.5 | 138.4 | 142.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 676 | Q | 26.1 | Very low | 29.1 | Very low | 145 Ų | 145 | 160.5 Ų | 160.5 | 68% | 0.678 | 81% | 0.809 | S | S | * | * | | | trans | -137.8 | 134.4 | -175.8 | 172.7 | 176.7 | -18.8 | 0 | 0 | 111.4 | | |
| 677 | E | 27.7 | Very low | 29.1 | Very low | 147 Ų | 147 | 154.9 Ų | 154.9 | 69% | 0.687 | 80% | 0.799 | S | S | * | * | | | trans | 62.2 | 168 | 163.7 | -78.9 | -175.4 | 109.5 | 0 | 0 | 117.1 | | |
| 678 | C | 26.4 | Very low | 29.1 | Very low | 112 Ų | 112 | 156.5 Ų | 156.5 | 76% | 0.757 | 80% | 0.804 | S | S | * | * | | | cis | -147.8 | 174.9 | 24.4 | -158.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 679 | R | 29.5 | Very low | 29.5 | Very low | 207 Ų | 207 | 154.4 Ų | 154.4 | 78% | 0.781 | 81% | 0.808 | S | S | * | * | | | trans | -67.6 | 167.1 | 175.4 | -60.3 | 177.4 | 173.8 | -164.4 | -1.7 | 113 | | |
| 680 | E | 24 | Very low | 29.7 | Very low | 191 Ų | 191 | 152 Ų | 152 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | | | trans | -120.9 | 138.1 | 156.9 | -165.7 | 163.5 | -136.3 | 0 | 0 | 111 | | |
| 681 | Q | 29.4 | Very low | 29.7 | Very low | 178 Ų | 178 | 158 Ų | 158 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | | | trans | -149.3 | 149.5 | 169.3 | -95.2 | -167.2 | 6.2 | 0 | 0 | 108.7 | | |
| 682 | S | 30.3 | Very low | 30.2 | Very low | 112 Ų | 112 | 160.6 Ų | 160.6 | 78% | 0.783 | 82% | 0.82 | S | S | * | * | | | trans | -141.1 | 131.3 | -178.2 | 179 | 0 | 0 | 0 | 0 | 112.4 | | |
| 683 | R | 34.3 | Very low | 30.7 | Very low | 249 Ų | 249 | 161.5 Ų | 161.5 | 94% | 0.94 | 82% | 0.819 | S | S | * | * | | | trans | -149.4 | 160 | 158.3 | -68.2 | -163.8 | -168.3 | -110.7 | -0.3 | 109.6 | | |
| 684 | V | 30.7 | Very low | 31.3 | Very low | 148 Ų | 148 | 161 Ų | 161 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | | | trans | -103.8 | 163.5 | -168.7 | -179.9 | 0 | 0 | 0 | 0 | 112 | | |
| 685 | L | 36.4 | Very low | 31.6 | Very low | 160 Ų | 160 | 158 Ų | 158 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | | | trans | -111.9 | 152 | -167.6 | -178.1 | 72.3 | 0 | 0 | 0 | 113.2 | | |
| 686 | V | 29 | Very low | 32.5 | Very low | 135 Ų | 135 | 162.5 Ų | 162.5 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | 160.8 | 140.3 | 146 | 151.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 687 | G | 30.8 | Very low | 33 | Very low | 57 Ų | 57 | 161.6 Ų | 161.6 | 59% | 0.588 | 82% | 0.818 | S | S | * | * | | | cis | 173.9 | 162 | -10.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 688 | F | 29.8 | Very low | 33.3 | Very low | 186 Ų | 186 | 159.1 Ų | 159.1 | 82% | 0.816 | 82% | 0.823 | S | S | * | * | | | trans | 73.6 | 115.7 | 159.5 | -63 | -84.9 | 0 | 0 | 0 | 124.3 | | |
| 689 | L | 34.3 | Very low | 34.2 | Very low | 170 Ų | 170 | 162.7 Ų | 162.7 | 89% | 0.89 | 83% | 0.831 | S | S | * | * | | | trans | 70.4 | 127.6 | 133 | -63.8 | 169.6 | 0 | 0 | 0 | 123.7 | | |
| 690 | G | 31.5 | Very low | 34.7 | Very low | 79 Ų | 79 | 159.4 Ų | 159.4 | 81% | 0.814 | 83% | 0.834 | S | S | * | * | | | trans | 172.6 | 116.9 | 156.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 691 | R | 37.2 | Very low | 35.6 | Very low | 235 Ų | 235 | 153.6 Ų | 153.6 | 89% | 0.887 | 83% | 0.825 | S | S | * | * | | | trans | -77.6 | 144.3 | 172.2 | -71.7 | -176.5 | 175.7 | -140.7 | 2.9 | 111.5 | | |
| 692 | R | 37.7 | Very low | 36.5 | Very low | 239 Ų | 239 | 153.4 Ų | 153.4 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | | | | -178.1 | 150.6 | 113.2 | -98.7 | 162.4 | -69.4 | -167.9 | 6.2 | 115.4 | | |
| 693 | K | 35.2 | Very low | 36.8 | Very low | 194 Ų | 194 | 159 Ų | 159 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | | | trans | -6.1 | 135.5 | 167.6 | -59 | -179.7 | 176.7 | -176.4 | 0 | 119.6 | | |
| 694 | I | 40.4 | Very low | 37.2 | Very low | 158 Ų | 158 | 155 Ų | 155 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 129.5 | 163.6 | -59.9 | 160 | 0 | 0 | 0 | 110.3 | | |
| 695 | P | 38 | Very low | 37.6 | Very low | 112 Ų | 112 | 155.6 Ų | 155.6 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 130.5 | 152.8 | 33.9 | -24.9 | 0 | 0 | 0 | 110.4 | P697 | P695-P697 WeakPolarHBondContact O-CD 3.26Š|
| 696 | K | 44.5 | Very low | 37.7 | Very low | 199 Ų | 199 | 154.7 Ų | 154.7 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -84 | 123.7 | 168.4 | -72.6 | -178.8 | 176.5 | -179.9 | 0 | 109.4 | | |
| 697 | P | 36 | Very low | 38.2 | Very low | 125 Ų | 125 | 155.2 Ų | 155.2 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 136.8 | 160 | -10.9 | 28 | 0 | 0 | 0 | 109.2 | P695 | P695-P697 WeakPolarHBondContact O-CD 3.26Š|
| 698 | A | 33.9 | Very low | 38.7 | Very low | 95 Ų | 95 | 158 Ų | 158 | 79% | 0.785 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 160 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | T700 | A698-T700 PolarHBondContact O-N 3.12Š|
| 699 | M | 44.7 | Very low | 39.3 | Very low | 187 Ų | 187 | 154.5 Ų | 154.5 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 123.3 | 176.1 | -72.2 | -179.1 | 65.6 | 0 | 0 | 112 | | |
| 700 | T | 40.7 | Very low | 39.4 | Very low | 139 Ų | 139 | 158.4 Ų | 158.4 | 85% | 0.853 | 83% | 0.831 | S | S | * | * | | | trans | -134.8 | 112.9 | 155.2 | 40.8 | 0 | 0 | 0 | 0 | 108.3 | A698 | A698-T700 PolarHBondContact O-N 3.12Š|
| 701 | G | 42.9 | Very low | 39.5 | Very low | 69 Ų | 69 | 157.7 Ų | 157.7 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | | | trans | -84.1 | 135.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 702 | H | 47 | Very low | 39.8 | Very low | 173 Ų | 173 | 158.9 Ų | 158.9 | 80% | 0.801 | 83% | 0.829 | S | S | * | * | | | trans | -160.9 | 48.2 | 171.6 | -121 | 78.4 | 0 | 0 | 0 | 115.5 | | |
| 703 | Y | 37.7 | Very low | 39.5 | Very low | 230 Ų | 230 | 150 Ų | 150 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | | | trans | -133.2 | 81.2 | 173.5 | -67 | -68.1 | 0 | 0 | 0 | 113.4 | | |
| 704 | L | 42.6 | Very low | 40.1 | Very low | 164 Ų | 164 | 146.3 Ų | 146.3 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | | | trans | -124.1 | 162.1 | 150.6 | -73.8 | 176.4 | 0 | 0 | 0 | 108 | | |
| 705 | L | 39.6 | Very low | 39.7 | Very low | 161 Ų | 161 | 147 Ų | 147 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | | | trans | 69.2 | 97.8 | -171.7 | -63.2 | 89.9 | 0 | 0 | 0 | 116.2 | | |
| 706 | N | 38.6 | Very low | 39.6 | Very low | 142 Ų | 142 | 146.8 Ų | 146.8 | 76% | 0.759 | 81% | 0.811 | S | S | * | * | | | | -167.3 | 84.4 | 119.7 | -108.6 | -23.3 | 0 | 0 | 0 | 112.4 | | |
| 707 | V | 39.3 | Very low | 39 | Very low | 145 Ų | 145 | 148.5 Ų | 148.5 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -138.1 | 35.7 | 169.7 | -157.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 708 | S | 40.1 | Very low | 38.8 | Very low | 116 Ų | 116 | 153.9 Ų | 153.9 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | | | trans | -145.9 | 39.6 | -171.7 | -50.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 709 | T | 43.2 | Very low | 38.8 | Very low | 112 Ų | 112 | 158.2 Ų | 158.2 | 69% | 0.687 | 83% | 0.825 | S | S | * | * | | | trans | -144.6 | 26 | -177.2 | 12 | 0 | 0 | 0 | 0 | 115.5 | G711 | T709-G711 PolarHBondContact O-N 3.18Å; T709-G711 VanDerWaalsContact O-N 3.17Å |
| 710 | Y | 36.2 | Very low | 38 | Very low | 252 Ų | 252 | 157.7 Ų | 157.7 | 99% | 0.988 | 82% | 0.82 | S | S | * | * | | | trans | -83.9 | 39.9 | 163.5 | -89.8 | -75.5 | 0 | 0 | 0 | 113.1 | | |
| 711 | G | 34.9 | Very low | 37.5 | Very low | 64 Ų | 64 | 159.4 Ų | 159.4 | 66% | 0.66 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -96.6 | 125.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | T709 G713 | T709-G711 PolarHBondContact O-N 3.18Å; T709-G711 VanDerWaalsContact O-N 3.17Å; G711-G713 PolarHBondContact O-N 3.18Å |
| 712 | R | 43.1 | Very low | 36.7 | Very low | 260 Ų | 260 | 160.9 Ų | 160.9 | 98% | 0.981 | 82% | 0.823 | S | S | * | * | | | trans | -69.2 | 94.8 | -179 | -70.7 | -174.6 | 177.7 | -142 | 3 | 112.2 | | |
| 713 | G | 31 | Very low | 35.7 | Very low | 52 Ų | 52 | 158.8 Ų | 158.8 | 54% | 0.536 | 82% | 0.822 | S | S | . | * | | | trans | -73.9 | 169.5 | 160.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G711 E715 | G711-G713 PolarHBondContact O-N 3.18Å; G713-E715 WeakPolarHBondContact CA-OE1 3.22Å |
| 714 | S | 46.8 | Very low | 35.1 | Very low | 117 Ų | 117 | 153.1 Ų | 153.1 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | -136.3 | 73.2 | 179.8 | -70.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 715 | E | 32.3 | Very low | 34.8 | Very low | 173 Ų | 173 | 150.7 Ų | 150.7 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | | | trans | -81 | 122.4 | -169.4 | -47.3 | -43 | 120.2 | 0 | 0 | 111.5 | G713 | G713-E715 WeakPolarHBondContact CA-OE1 3.22Š|
| 716 | S | 35.6 | Very low | 34.1 | Very low | 108 Ų | 108 | 150 Ų | 150 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | | | trans | -140.6 | 94 | 179.8 | 167.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 717 | R | 32.5 | Very low | 33.6 | Very low | 235 Ų | 235 | 153.5 Ų | 153.5 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | | | trans | -165.1 | 123.6 | 155.5 | -103.1 | 153.3 | -178.8 | -156.1 | -2.7 | 107.1 | | |
| 718 | R | 32.7 | Very low | 33 | Very low | 238 Ų | 238 | 152.1 Ų | 152.1 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | | | | 54.7 | 94.3 | 70.2 | -66.3 | -166.3 | -177.2 | -161.5 | 1.6 | 112.5 | | |
| 719 | L | 32.6 | Very low | 32.4 | Very low | 185 Ų | 185 | 151.2 Ų | 151.2 | 97% | 0.969 | 81% | 0.81 | S | S | * | * | | | trans | -79.2 | 165.4 | 155.3 | -78.4 | 170.2 | 0 | 0 | 0 | 110.5 | | |
| 720 | H | 29.6 | Very low | 31.6 | Very low | 177 Ų | 177 | 153.2 Ų | 153.2 | 82% | 0.819 | 82% | 0.816 | S | S | * | * | | | trans | -121.3 | 121.9 | -169.4 | -173.9 | -86.3 | 0 | 0 | 0 | 109.1 | | |
| 721 | L | 30.2 | Very low | 31.1 | Very low | 175 Ų | 175 | 146.9 Ų | 146.9 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | | | trans | -135.6 | 158.7 | 176.1 | -132.5 | 77.5 | 0 | 0 | 0 | 110.5 | | |
| 722 | S | 25.9 | Very low | 30.9 | Very low | 100 Ų | 100 | 152.6 Ų | 152.6 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | | | trans | -109.1 | 137.2 | -153.3 | 51 | 0 | 0 | 0 | 0 | 116.1 | | |
| 723 | V | 24.4 | Very low | 29.9 | Very low | 129 Ų | 129 | 148.6 Ų | 148.6 | 78% | 0.782 | 79% | 0.789 | S | S | * | * | | | trans | 52.6 | 98.6 | 138 | -174.1 | 0 | 0 | 0 | 0 | 118.1 | | |
| 724 | C | 25.3 | Very low | 29.7 | Very low | 111 Ų | 111 | 151.6 Ų | 151.6 | 75% | 0.75 | 80% | 0.802 | S | S | * | * | | | | 54.9 | 149.3 | 121.7 | -68.8 | 0 | 0 | 0 | 0 | 121.2 | | |
| 725 | P | 37.3 | Very low | 28.7 | Very low | 113 Ų | 113 | 151.9 Ų | 151.9 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | | | cis | -142.8 | 155.1 | 41.8 | 39.9 | -20.4 | 0 | 0 | 0 | 120.3 | | |
| 726 | N | 23.6 | Very low | 28.3 | Very low | 146 Ų | 146 | 151.2 Ų | 151.2 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | | | trans | 43.4 | 122.3 | 141.9 | -58.5 | -6.7 | 0 | 0 | 0 | 122.1 | | |
| 727 | K | 28.9 | Very low | 27.9 | Very low | 216 Ų | 216 | 149.7 Ų | 149.7 | 94% | 0.939 | 80% | 0.802 | S | S | * | * | | | | -157.5 | 169.8 | 126.4 | -108 | 159.1 | -171.3 | 178.3 | 0 | 111.4 | | |
| 728 | S | 27.2 | Very low | 27.6 | Very low | 116 Ų | 116 | 146.1 Ų | 146.1 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | | | trans | -126.6 | 145.6 | -149.6 | 52.4 | 0 | 0 | 0 | 0 | 115.6 | | |
| 729 | A | 26.5 | Very low | 27.3 | Very low | 96 Ų | 96 | 141.4 Ų | 141.4 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | | | trans | 169.1 | 132.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 730 | L | 27.7 | Very low | 27 | Very low | 155 Ų | 155 | 138.1 Ų | 138.1 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | | | cis | 66.9 | 126.4 | 36.4 | -134.2 | 102 | 0 | 0 | 0 | 110.7 | | |
| 731 | E | 25.9 | Very low | 26.8 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 56% | 0.556 | 77% | 0.767 | S | S | * | * | | | cis | -168.8 | 176.2 | 21.9 | -154.5 | -178.8 | 173.5 | 0 | 0 | 110.9 | | |
| 732 | R | 29.9 | Very low | 26.7 | Very low | 184 Ų | 184 | 135.4 Ų | 135.4 | 69% | 0.694 | 77% | 0.765 | S | S | * | * | | | trans | 60.6 | 137.1 | 163.9 | -59.6 | -167.2 | -172.7 | 72.7 | 17.7 | 118.3 | | |
| 733 | E | 21.7 | Very low | 26.7 | Very low | 175 Ų | 175 | 135.8 Ų | 135.8 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | cis | 81.5 | 105.9 | 32.1 | -166.9 | -171.6 | 113.5 | 0 | 0 | 114.9 | | |
| 734 | S | 26.4 | Very low | 26.8 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | | | | -161.8 | 163.1 | 128.6 | -158.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 735 | T | 26.2 | Very low | 26.9 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | trans | -129.5 | 172.8 | -165.8 | 48.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 736 | D | 24.1 | Very low | 27 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | | | trans | 81.8 | 165.8 | 159.2 | -132.1 | -75.5 | 0 | 0 | 0 | 118.3 | | |
| 737 | G | 27.8 | Very low | 27.1 | Very low | 76 Ų | 76 | 138.8 Ų | 138.8 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | | | trans | 130.2 | 44.7 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 738 | K | 26.4 | Very low | 27.2 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 70% | 0.7 | 77% | 0.766 | S | S | * | * | | | trans | -82.8 | 134.8 | 177.7 | 179.1 | -136.4 | 176.4 | -150.1 | 0 | 111.5 | | |
| 739 | E | 25.7 | Very low | 27.3 | Very low | 138 Ų | 138 | 141 Ų | 141 | 65% | 0.645 | 77% | 0.765 | S | S | * | * | | | | 164 | 154.3 | 125.6 | -82.1 | -134.7 | 117.6 | 0 | 0 | 116.9 | | |
| 740 | T | 26.4 | Very low | 27.2 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | | | trans | 38.7 | 122.7 | 155.6 | 55.7 | 0 | 0 | 0 | 0 | 121 | | |
| 741 | A | 26.2 | Very low | 27.1 | Very low | 92 Ų | 92 | 143 Ų | 143 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | | | cis | 88.3 | 150.2 | 39.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 742 | K | 27.9 | Very low | 27.1 | Very low | 202 Ų | 202 | 144.5 Ų | 144.5 | 88% | 0.878 | 78% | 0.779 | S | S | * | * | | | trans | 92.5 | 150.2 | -169.6 | -66.1 | -175.9 | 178 | -177.7 | 0 | 115.6 | | |
| 743 | T | 25.4 | Very low | 26.9 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | | | cis | -178.2 | 160.8 | -32 | -96.8 | 0 | 0 | 0 | 0 | 106.9 | | |
| 744 | E | 25.8 | Very low | 27.1 | Very low | 181 Ų | 181 | 137.5 Ų | 137.5 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | | | trans | 74.7 | 103.7 | 163.9 | -86.5 | 161.6 | 147.8 | 0 | 0 | 120.5 | | |
| 745 | E | 27.1 | Very low | 27 | Very low | 174 Ų | 174 | 138.1 Ų | 138.1 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | | | | -41.8 | 176.2 | 128.6 | -85 | -119 | 112.5 | 0 | 0 | 114.5 | | |
| 746 | P | 40.4 | Very low | 27.1 | Very low | 104 Ų | 104 | 144 Ų | 144 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | | | cis | -134.2 | 159.7 | -21.5 | 30.7 | -12.9 | 0 | 0 | 0 | 113.8 | | |
| 747 | A | 26.1 | Very low | 27.2 | Very low | 103 Ų | 103 | 142.9 Ų | 142.9 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | | | trans | -145.1 | 145.6 | 159 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 748 | K | 30.4 | Very low | 27.3 | Very low | 197 Ų | 197 | 147.6 Ų | 147.6 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | | | trans | -126.7 | 162.6 | 176.4 | -67.1 | 175.2 | -178.9 | 169 | 0 | 109.7 | | |
| 749 | K | 29 | Very low | 27.6 | Very low | 181 Ų | 181 | 144.3 Ų | 144.3 | 79% | 0.787 | 77% | 0.771 | S | S | * | * | | | trans | 89.1 | 110 | 165.3 | -53.9 | 177.5 | -177.2 | 178.5 | 0 | 116.5 | | |
| 750 | D | 25.4 | Very low | 27.6 | Very low | 142 Ų | 142 | 143.9 Ų | 143.9 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | | | | 41.4 | 116.5 | 108.4 | -35.1 | -40.4 | 0 | 0 | 0 | 117.9 | | |
| 751 | L | 24.6 | Very low | 27.8 | Very low | 152 Ų | 152 | 145 Ų | 145 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | | | | -175.3 | 116.5 | 116.5 | -99.4 | 157.7 | 0 | 0 | 0 | 111 | S753 | L751-S753 PolarHBondContact O-N 2.77Š|
| 752 | V | 25.3 | Very low | 28.1 | Very low | 149 Ų | 149 | 147.9 Ų | 147.9 | 90% | 0.903 | 76% | 0.764 | S | S | * | * | | | trans | -81.5 | 102.8 | 154.3 | 172.9 | 0 | 0 | 0 | 0 | 106.7 | | |
| 753 | S | 27.1 | Very low | 28.2 | Very low | 87 Ų | 87 | 141.1 Ų | 141.1 | 61% | 0.608 | 75% | 0.751 | S | S | * | * | | | trans | -76.5 | 126.7 | -179.2 | -65.5 | 0 | 0 | 0 | 0 | 112.3 | L751 | L751-S753 PolarHBondContact O-N 2.77Š|
| 754 | V | 24.9 | Very low | 28.2 | Very low | 125 Ų | 125 | 141.5 Ų | 141.5 | 76% | 0.758 | 76% | 0.757 | S | S | * | * | | | | 29.9 | 105 | 126.2 | -174.5 | 0 | 0 | 0 | 0 | 116.9 | | |
| 755 | T | 24.4 | Very low | 28.4 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | | | | 39.5 | 115.4 | 127.1 | -44.2 | 0 | 0 | 0 | 0 | 119.6 | | |
| 756 | R | 27.7 | Very low | 28.5 | Very low | 246 Ų | 246 | 134.7 Ų | 134.7 | 93% | 0.928 | 75% | 0.749 | S | S | * | * | | | trans | -146.2 | 119.1 | 147.6 | -159.2 | 174.6 | -170.9 | -176.5 | 2.5 | 112.2 | | |
| 757 | V | 27.2 | Very low | 28 | Very low | 136 Ų | 136 | 135 Ų | 135 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | | | trans | -137.2 | 120.2 | 172.9 | 174.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 758 | K | 29.6 | Very low | 28.1 | Very low | 175 Ų | 175 | 141.3 Ų | 141.3 | 76% | 0.761 | 75% | 0.751 | S | S | * | * | | | trans | 173.1 | 151.3 | 164.4 | -102.8 | -148.5 | 152.8 | -153.3 | 0 | 106.3 | E760 | K758-E760 IonicContact NZ-OE1 3.91Š|
| 759 | T | 32.2 | Very low | 28 | Very low | 91 Ų | 91 | 136.4 Ų | 136.4 | 56% | 0.558 | 75% | 0.747 | S | S | * | * | | | cis | -151.4 | -177.5 | 5.9 | -5.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 760 | E | 25.5 | Very low | 27.9 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 60% | 0.603 | 75% | 0.751 | S | S | * | * | | | cis | -157.4 | 147.3 | 11 | -150.3 | 70.4 | -111.5 | 0 | 0 | 103.9 | K758 | K758-E760 IonicContact NZ-OE1 3.91Š|
| 761 | Q | 31.9 | Very low | 28.3 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 66% | 0.659 | 75% | 0.752 | S | S | * | * | | | cis | -158 | -173.8 | -0.8 | -133 | 172.3 | 60.2 | 0 | 0 | 106.3 | | |
| 762 | Q | 32.8 | Very low | 28.7 | Very low | 153 Ų | 153 | 134.2 Ų | 134.2 | 72% | 0.715 | 75% | 0.751 | S | S | * | * | | | cis | -153.9 | 147 | -4.5 | 174.2 | 70.5 | -107.8 | 0 | 0 | 104.8 | | |
| 763 | G | 30.3 | Very low | 28.8 | Very low | 60 Ų | 60 | 131.2 Ų | 131.2 | 62% | 0.619 | 74% | 0.742 | S | S | * | * | | | cis | -130.3 | -104.7 | -3.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 764 | C | 25.3 | Very low | 28.7 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | | | cis | -157.8 | -158.5 | -10.4 | -158.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 765 | A | 29.2 | Very low | 28.7 | Very low | 90 Ų | 90 | 134.3 Ų | 134.3 | 74% | 0.744 | 75% | 0.747 | S | S | * | * | | | trans | -70.7 | 131.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 766 | V | 29.6 | Very low | 28.8 | Very low | 121 Ų | 121 | 135.6 Ų | 135.6 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | | | cis | 90.2 | 129.1 | 37.6 | 175.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 767 | T | 29.6 | Very low | 28.7 | Very low | 111 Ų | 111 | 132 Ų | 132 | 68% | 0.681 | 74% | 0.737 | S | S | * | * | | | cis | -153.9 | 154.9 | 33.8 | -13.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 768 | R | 28.3 | Very low | 28.6 | Very low | 235 Ų | 235 | 130.9 Ų | 130.9 | 89% | 0.887 | 73% | 0.734 | S | S | * | * | | | trans | 23.7 | 165.6 | 132 | -69.5 | 179 | -172.3 | -158.2 | 2.8 | 122.8 | | |
| 769 | A | 27.3 | Very low | 28.7 | Very low | 95 Ų | 95 | 128.7 Ų | 128.7 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | | | cis | -174.3 | -177.1 | -21.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 770 | N | 27.9 | Very low | 28.6 | Very low | 162 Ų | 162 | 127.7 Ų | 127.7 | 87% | 0.866 | 75% | 0.749 | S | S | * | * | | | trans | -79.7 | 155.6 | -167.6 | -67.9 | -29.7 | 0 | 0 | 0 | 118.3 | | |
| 771 | D | 32.7 | Very low | 28.8 | Very low | 148 Ų | 148 | 127.9 Ų | 127.9 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | | | trans | 2 | 144.8 | 150.9 | -98 | -70.8 | 0 | 0 | 0 | 121.5 | | |
| 772 | P | 34.6 | Very low | 28.4 | Very low | 119 Ų | 119 | 130 Ų | 130 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | | | | -154.3 | 149 | 84.3 | 40.1 | -20.9 | 0 | 0 | 0 | 120.5 | | |
| 773 | A | 26.3 | Very low | 28.4 | Very low | 86 Ų | 86 | 128.1 Ų | 128.1 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | | | trans | 59.3 | 109.4 | 134.4 | 0 | 0 | 0 | 0 | 0 | 124.9 | | |
| 774 | S | 24.9 | Very low | 28.4 | Very low | 96 Ų | 96 | 132.3 Ų | 132.3 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | | | | 87.5 | 150.8 | 124.4 | -151.3 | 0 | 0 | 0 | 0 | 123.4 | | |
| 775 | F | 25 | Very low | 29.5 | Very low | 180 Ų | 180 | 133 Ų | 133 | 79% | 0.789 | 77% | 0.771 | S | S | * | * | | | trans | 82.2 | 104.6 | 160.1 | -67.4 | -65 | 0 | 0 | 0 | 123 | | |
| 776 | Q | 26.5 | Very low | 29.5 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 73% | 0.729 | 76% | 0.758 | S | S | * | * | | | | 95.6 | 121.4 | 107.8 | -155.1 | 172.1 | 2.1 | 0 | 0 | 122.9 | | |
| 777 | H | 25.9 | Very low | 29.7 | Very low | 170 Ų | 170 | 130.9 Ų | 130.9 | 79% | 0.787 | 76% | 0.763 | S | S | * | * | | | trans | 85.9 | 157.4 | 147.6 | -94.9 | -124.2 | 0 | 0 | 0 | 124.3 | | |
| 778 | C | 25.2 | Very low | 29.9 | Very low | 113 Ų | 113 | 133.4 Ų | 133.4 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | | | trans | -121.2 | 160.1 | -157.2 | -38.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 779 | S | 32.6 | Very low | 30.3 | Very low | 129 Ų | 129 | 126 Ų | 126 | 90% | 0.902 | 75% | 0.752 | S | S | * | * | | | trans | 161.8 | 155.6 | 138 | 45.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 780 | G | 29.6 | Very low | 30.6 | Very low | 71 Ų | 71 | 128.7 Ų | 128.7 | 73% | 0.732 | 75% | 0.753 | S | S | * | * | | | cis | -172.6 | -160.4 | 10 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 781 | V | 28.6 | Very low | 30.5 | Very low | 133 Ų | 133 | 124 Ų | 124 | 81% | 0.806 | 74% | 0.744 | S | S | * | * | | | cis | -170.3 | 172.8 | 0.7 | 117.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 782 | K | 25.3 | Very low | 30.4 | Very low | 186 Ų | 186 | 121.8 Ų | 121.8 | 81% | 0.809 | 75% | 0.746 | S | S | * | * | | | trans | 78.2 | 140.9 | 168.9 | -88.2 | -171.3 | 173.2 | -176.9 | 0 | 118.7 | | |
| 783 | T | 30.8 | Very low | 30.1 | Very low | 113 Ų | 113 | 120.1 Ų | 120.1 | 69% | 0.693 | 75% | 0.75 | S | S | * | * | | | cis | -159.7 | 150.6 | -17.8 | -3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 784 | E | 31.7 | Very low | 30.3 | Very low | 148 Ų | 148 | 119.6 Ų | 119.6 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | | | trans | 6.7 | 154.3 | 142.2 | -66.3 | -55.7 | 103.4 | 0 | 0 | 122 | G786 | E784-G786 WeakPolarHBondContact OE2-CA 3.29Š|
| 785 | P | 46.9 | Very low | 30.9 | Very low | 130 Ų | 130 | 119.8 Ų | 119.8 | 84% | 0.844 | 76% | 0.761 | S | S | * | * | | | cis | -117.1 | 172.1 | 15.9 | 19.6 | 3 | 0 | 0 | 0 | 115.6 | | |
| 786 | G | 30.7 | Very low | 31.3 | Very low | 46 Ų | 46 | 117.4 Ų | 117.4 | 47% | 0.474 | 76% | 0.756 | S | S | . | * | | | cis | 126.8 | 157.6 | -4 | 0 | 0 | 0 | 0 | 0 | 114.3 | E784 | E784-G786 WeakPolarHBondContact OE2-CA 3.29Š|
| 787 | S | 32.5 | Very low | 31.6 | Very low | 121 Ų | 121 | 117 Ų | 117 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | | | trans | 62.4 | 166.8 | 179.1 | -71.3 | 0 | 0 | 0 | 0 | 116.7 | | |
| 788 | E | 34.9 | Very low | 31.7 | Very low | 164 Ų | 164 | 112.4 Ų | 112.4 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | | | cis | -163.6 | 169.1 | -39.6 | 74.4 | 137.4 | 97.5 | 0 | 0 | 107.3 | | |
| 789 | S | 37.2 | Very low | 31.9 | Very low | 81 Ų | 81 | 114 Ų | 114 | 57% | 0.566 | 76% | 0.763 | S | S | * | * | | | cis | -146.8 | -170.5 | -25.2 | 61.4 | 0 | 0 | 0 | 0 | 106 | | |
| 790 | N | 33 | Very low | 31.8 | Very low | 150 Ų | 150 | 112.7 Ų | 112.7 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | | | cis | -146.7 | -163.4 | 2 | -127.4 | -56.5 | 0 | 0 | 0 | 105.7 | | |
| 791 | G | 26.5 | Very low | 31.8 | Very low | 65 Ų | 65 | 115 Ų | 115 | 67% | 0.67 | 77% | 0.765 | S | S | * | * | | | cis | 129.8 | 140.3 | 3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 792 | A | 29.7 | Very low | 32.1 | Very low | 101 Ų | 101 | 113 Ų | 113 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | | | cis | -161.1 | 150.6 | -11 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 793 | G | 27.8 | Very low | 32.4 | Very low | 83 Ų | 83 | 113.9 Ų | 113.9 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | | | trans | 91 | 159.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 794 | G | 30.6 | Very low | 32.6 | Very low | 75 Ų | 75 | 112.6 Ų | 112.6 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | | | cis | 160.2 | 86.4 | -7.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 795 | A | 37.3 | Very low | 32.7 | Very low | 101 Ų | 101 | 114.6 Ų | 114.6 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | | | trans | 65.4 | 174.8 | 151.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 796 | D | 33.5 | Very low | 32 | Very low | 129 Ų | 129 | 114.8 Ų | 114.8 | 69% | 0.69 | 77% | 0.767 | S | S | * | * | | | trans | -81.3 | 153.1 | -164.3 | 42.9 | -73 | 0 | 0 | 0 | 116.5 | | |
| 797 | N | 32.6 | Very low | 32 | Very low | 149 Ų | 149 | 117 Ų | 117 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | | 164.2 | 168.2 | 118.6 | -92.5 | -69.8 | 0 | 0 | 0 | 114.3 | | |
| 798 | G | 27.9 | Very low | 31.9 | Very low | 73 Ų | 73 | 116.5 Ų | 116.5 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | | | trans | 103.4 | 101.3 | 137.9 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 799 | V | 30.7 | Very low | 32.7 | Very low | 145 Ų | 145 | 113.7 Ų | 113.7 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | | | trans | -66.1 | 140.7 | 167.3 | 170.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 800 | A | 30.6 | Very low | 32.2 | Very low | 103 Ų | 103 | 119.2 Ų | 119.2 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | | | trans | -137.1 | 148.2 | 155.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 801 | S | 29.6 | Very low | 32 | Very low | 118 Ų | 118 | 116.9 Ų | 116.9 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | | | trans | -132.1 | 131.1 | -166.9 | 178.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 802 | A | 33.6 | Very low | 32.8 | Very low | 91 Ų | 91 | 119.1 Ų | 119.1 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | | | trans | -159.4 | 137 | 156.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 803 | K | 32.7 | Very low | 33 | Very low | 205 Ų | 205 | 118.7 Ų | 118.7 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | | | trans | 16.2 | 139.7 | 149 | -63.5 | 176.9 | 179.6 | 177.1 | 0 | 120.2 | | |
| 804 | A | 34.5 | Very low | 33 | Very low | 86 Ų | 86 | 123.9 Ų | 123.9 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | | | cis | -173.5 | 153.4 | -8.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 805 | K | 34.8 | Very low | 33 | Very low | 190 Ų | 190 | 130 Ų | 130 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | | | trans | 68.1 | 139.3 | 151.9 | -151.7 | 162.5 | -176 | 178.1 | 0 | 116.4 | | |
| 806 | D | 31.1 | Very low | 32.8 | Very low | 134 Ų | 134 | 132 Ų | 132 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | | | cis | -132 | 175 | -2.3 | -139.6 | -47 | 0 | 0 | 0 | 110.7 | | |
| 807 | S | 31.6 | Very low | 32.5 | Very low | 93 Ų | 93 | 134.9 Ų | 134.9 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | | | trans | -113 | 136.5 | -163.3 | 59.1 | 0 | 0 | 0 | 0 | 117 | | |
| 808 | S | 30.9 | Very low | 32.4 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | trans | 73.2 | 175.5 | 152.9 | 79.3 | 0 | 0 | 0 | 0 | 117.1 | | |
| 809 | P | 50.8 | Low | 32.4 | Very low | 104 Ų | 104 | 138.5 Ų | 138.5 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | | | | -132.7 | -152.9 | -81.2 | 40.9 | -23.1 | 0 | 0 | 0 | 112.6 | | |
| 810 | F | 25.5 | Very low | 32.5 | Very low | 197 Ų | 197 | 140.2 Ų | 140.2 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | | | trans | 92 | 133.5 | 176.4 | -78.1 | -87.7 | 0 | 0 | 0 | 118.8 | | |
| 811 | S | 30.6 | Very low | 32.3 | Very low | 101 Ų | 101 | 145.9 Ų | 145.9 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | trans | -90.8 | -175.6 | 164.3 | 38.3 | 0 | 0 | 0 | 0 | 110 | | |
| 812 | P | 41.8 | Very low | 32.2 | Very low | 113 Ų | 113 | 145.9 Ų | 145.9 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | | | cis | -128.7 | 179.3 | -22.2 | 31.5 | -12.9 | 0 | 0 | 0 | 113.5 | | |
| 813 | A | 34.9 | Very low | 32 | Very low | 92 Ų | 92 | 147.1 Ų | 147.1 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | | | trans | 61.7 | 128.2 | 149.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 814 | H | 27.9 | Very low | 32.2 | Very low | 192 Ų | 192 | 143.6 Ų | 143.6 | 89% | 0.889 | 76% | 0.758 | S | S | * | * | | | trans | -143 | 177.8 | 146 | -140.9 | -105.5 | 0 | 0 | 0 | 112.8 | | |
| 815 | R | 30.7 | Very low | 32.3 | Very low | 203 Ų | 203 | 148.3 Ų | 148.3 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | | | trans | -123.5 | 137.2 | -150 | 174.4 | -178.8 | 175.6 | 173.4 | -2.1 | 112.8 | | |
| 816 | N | 32.7 | Very low | 32 | Very low | 143 Ų | 143 | 142.9 Ų | 142.9 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | | | trans | 46.5 | 125.4 | 158.8 | -56.9 | 8.2 | 0 | 0 | 0 | 119.8 | | |
| 817 | H | 27.3 | Very low | 32.1 | Very low | 190 Ų | 190 | 143.8 Ų | 143.8 | 88% | 0.88 | 77% | 0.768 | S | S | * | * | | | trans | -135.8 | 155.3 | 141 | -159.1 | -86.3 | 0 | 0 | 0 | 109.2 | | |
| 818 | L | 30.4 | Very low | 32.1 | Very low | 132 Ų | 132 | 145.3 Ų | 145.3 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | | | trans | -108.1 | 163.4 | -178.8 | -154.5 | 76.6 | 0 | 0 | 0 | 110.9 | | |
| 819 | E | 27.5 | Very low | 32.1 | Very low | 166 Ų | 166 | 147.7 Ų | 147.7 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | trans | 51.1 | 121.6 | 164.9 | -74 | 176.5 | 112.2 | 0 | 0 | 119.1 | | |
| 820 | L | 32.1 | Very low | 32.2 | Very low | 181 Ų | 181 | 148.2 Ų | 148.2 | 95% | 0.948 | 78% | 0.781 | S | S | * | * | | | | -151.7 | 157.2 | 109.2 | -132.1 | 73.2 | 0 | 0 | 0 | 112.6 | | |
| 821 | R | 26.7 | Very low | 32.5 | Very low | 222 Ų | 222 | 147 Ų | 147 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | | | trans | -101.9 | 142.8 | -166 | 171 | -164.7 | 176.3 | 177.3 | 2.5 | 110.4 | | |
| 822 | N | 27.8 | Very low | 32.5 | Very low | 117 Ų | 117 | 149 Ų | 149 | 63% | 0.626 | 77% | 0.774 | S | S | * | * | | | | 154.2 | 125.1 | 109.4 | -151.3 | 40.4 | 0 | 0 | 0 | 116.1 | | |
| 823 | N | 30.6 | Very low | 32.2 | Very low | 118 Ų | 118 | 147.6 Ų | 147.6 | 63% | 0.631 | 76% | 0.764 | S | S | * | * | | | trans | 19.9 | 128.7 | 144.5 | -65.5 | 1.2 | 0 | 0 | 0 | 124.5 | | |
| 824 | N | 35.8 | Very low | 31.9 | Very low | 131 Ų | 131 | 150.2 Ų | 150.2 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | | 53.6 | 135.7 | 116.8 | -44.7 | -15.5 | 0 | 0 | 0 | 122.5 | | |
| 825 | Q | 36 | Very low | 31.9 | Very low | 185 Ų | 185 | 149 Ų | 149 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | | | | -167.1 | 153.4 | 103.7 | -149.2 | 94.1 | 74.6 | 0 | 0 | 111.6 | | |
| 826 | G | 29.5 | Very low | 31.8 | Very low | 75 Ų | 75 | 145.9 Ų | 145.9 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | | | trans | 166.3 | 98.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 827 | N | 32.8 | Very low | 32.8 | Very low | 154 Ų | 154 | 144.4 Ų | 144.4 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | | | trans | -111.5 | 147.5 | -168.2 | -97.6 | 19.5 | 0 | 0 | 0 | 114 | | |
| 828 | S | 31.5 | Very low | 33 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | | | trans | -168.2 | 132.3 | 131.5 | 57.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 829 | E | 32.5 | Very low | 33.3 | Very low | 160 Ų | 160 | 140 Ų | 140 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | | | trans | -130.6 | 168 | 171.6 | -153.2 | -156.3 | -111 | 0 | 0 | 108.5 | Y831 | E829-Y831 PolarHBondContact OE2-N 3.31Š|
| 830 | P | 51.2 | Low | 33.6 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | | | | -153.1 | 137.4 | 95.7 | 36.3 | -16.7 | 0 | 0 | 0 | 118.4 | | |
| 831 | Y | 31.7 | Very low | 33.5 | Very low | 171 Ų | 171 | 138.5 Ų | 138.5 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | | | | 52.7 | 118.5 | 129.5 | -135.1 | -146.6 | 0 | 0 | 0 | 119.7 | E829 T833 | E829-Y831 PolarHBondContact OE2-N 3.31Å; Y831-T833 VanDerWaalsContact CE2-OG1 3.29Å; Y831-T833 WeakPolarHBondContact CE2-OG1 3.2Å |
| 832 | L | 31.2 | Very low | 33.9 | Very low | 144 Ų | 144 | 135.2 Ų | 135.2 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | | | | -169.5 | -177.7 | 68.9 | -80.3 | 159.2 | 0 | 0 | 0 | 111.3 | | |
| 833 | T | 34.6 | Very low | 34 | Very low | 83 Ų | 83 | 135.8 Ų | 135.8 | 51% | 0.509 | 74% | 0.744 | S | S | . | * | | | | 171 | 157.2 | -50.2 | -81.9 | 0 | 0 | 0 | 0 | 111 | Y831 | Y831-T833 VanDerWaalsContact CE2-OG1 3.29Å; Y831-T833 WeakPolarHBondContact CE2-OG1 3.2Å |
| 834 | L | 29.3 | Very low | 34.2 | Very low | 147 Ų | 147 | 134 Ų | 134 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | | | trans | 75 | 130.8 | 177.6 | -100.5 | 74.5 | 0 | 0 | 0 | 117.6 | | |
| 835 | M | 29.1 | Very low | 34 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | | | cis | -141.9 | 174.5 | 1.4 | -81.1 | -82.8 | 54.6 | 0 | 0 | 113.9 | | |
| 836 | D | 27.6 | Very low | 33.7 | Very low | 138 Ų | 138 | 133.9 Ų | 133.9 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | | | trans | -135 | 172.7 | -178.1 | -173.3 | 62.9 | 0 | 0 | 0 | 108.5 | | |
| 837 | P | 53.2 | Low | 33.7 | Very low | 113 Ų | 113 | 139.6 Ų | 139.6 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | | | cis | -124.4 | -165.3 | 13 | 11.9 | 17.9 | 0 | 0 | 0 | 114.8 | | |
| 838 | G | 32.3 | Very low | 33.4 | Very low | 61 Ų | 61 | 138 Ų | 138 | 63% | 0.629 | 73% | 0.733 | S | S | * | * | | | cis | 156.6 | -152.6 | -2.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 839 | H | 37.1 | Very low | 33.2 | Very low | 167 Ų | 167 | 140.2 Ų | 140.2 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | | | trans | 76.3 | 117.9 | 178.9 | -62.4 | -84.6 | 0 | 0 | 0 | 118 | | |
| 840 | Q | 33.6 | Very low | 32.8 | Very low | 154 Ų | 154 | 136.2 Ų | 136.2 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | | | | 89.3 | 144.7 | 57.4 | -78.2 | -167.8 | 79.4 | 0 | 0 | 113.8 | | |
| 841 | Q | 28.9 | Very low | 31.7 | Very low | 162 Ų | 162 | 136.9 Ų | 136.9 | 76% | 0.757 | 73% | 0.733 | S | S | * | * | | | cis | -152.5 | 178.1 | 20.4 | -155.3 | 169.7 | -14.9 | 0 | 0 | 114 | | |
| 842 | L | 35.5 | Very low | 31.6 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 80% | 0.801 | 73% | 0.734 | S | S | * | * | | | trans | -88.4 | -174.3 | 179.1 | -55.6 | 105.1 | 0 | 0 | 0 | 113.2 | | |
| 843 | T | 31.2 | Very low | 31.3 | Very low | 130 Ų | 130 | 137 Ų | 137 | 80% | 0.798 | 74% | 0.735 | S | S | * | * | | | cis | -168 | -159.3 | 47.8 | -29.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 844 | A | 34.1 | Very low | 31.1 | Very low | 79 Ų | 79 | 138.3 Ų | 138.3 | 65% | 0.653 | 75% | 0.748 | S | S | * | * | | | trans | -148.1 | -168.4 | -149.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 845 | F | 31.2 | Very low | 31.2 | Very low | 184 Ų | 184 | 135.5 Ų | 135.5 | 81% | 0.807 | 75% | 0.746 | S | S | * | * | | | trans | 84.4 | 157.3 | 169 | -56.6 | -66.5 | 0 | 0 | 0 | 117.7 | | |
| 846 | Q | 29.7 | Very low | 31.2 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 61% | 0.612 | 75% | 0.747 | S | S | * | * | | | cis | -160.1 | 150.1 | -0 | -132.6 | 178.1 | 54.7 | 0 | 0 | 116.5 | | |
| 847 | R | 29.1 | Very low | 31.1 | Very low | 194 Ų | 194 | 132.1 Ų | 132.1 | 73% | 0.732 | 75% | 0.749 | S | S | * | * | | | trans | 54.2 | 123.6 | 138.2 | -96.9 | -164.3 | -58.3 | 176 | 1.8 | 126.2 | | |
| 848 | T | 25.9 | Very low | 30 | Very low | 121 Ų | 121 | 132 Ų | 132 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | | | trans | 57.1 | 151 | 138 | 44.5 | 0 | 0 | 0 | 0 | 120.8 | | |
| 849 | L | 29 | Very low | 29.8 | Very low | 171 Ų | 171 | 133.8 Ų | 133.8 | 90% | 0.895 | 75% | 0.754 | S | S | * | * | | | cis | -165.8 | 148.4 | 38.7 | -142.5 | 158.5 | 0 | 0 | 0 | 110.2 | | |
| 850 | G | 24.2 | Very low | 29.3 | Very low | 76 Ų | 76 | 137.4 Ų | 137.4 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | | | trans | 167.5 | 121.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 851 | N | 26.8 | Very low | 29 | Very low | 131 Ų | 131 | 133 Ų | 133 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | | | trans | -71.7 | 162.8 | -168.6 | -167.6 | 34.6 | 0 | 0 | 0 | 118.1 | | |
| 852 | Q | 29.7 | Very low | 28.9 | Very low | 148 Ų | 148 | 129.3 Ų | 129.3 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | | | trans | 31.9 | 146.4 | 150 | -85.1 | 164.2 | 64.2 | 0 | 0 | 122.1 | | |
| 853 | E | 24.7 | Very low | 28.7 | Very low | 168 Ų | 168 | 128.6 Ų | 128.6 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | | | cis | -156.4 | -172.6 | 4.6 | -174.6 | 147.8 | 95 | 0 | 0 | 111.1 | | |
| 854 | S | 31.5 | Very low | 28.6 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | | | trans | -57.2 | 168.8 | 178.9 | -50.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 855 | A | 30.5 | Very low | 28.1 | Very low | 87 Ų | 87 | 132 Ų | 132 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | | | cis | -158.8 | 149.7 | 24.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 856 | V | 29.6 | Very low | 27.8 | Very low | 138 Ų | 138 | 131.8 Ų | 131.8 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | | | trans | 44.8 | 91.9 | 136.6 | -171.3 | 0 | 0 | 0 | 0 | 120.7 | | |
| 857 | A | 26.4 | Very low | 27.8 | Very low | 95 Ų | 95 | 131.1 Ų | 131.1 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | | 75.2 | 144.4 | 119.2 | 0 | 0 | 0 | 0 | 0 | 125.3 | | |
| 858 | S | 28.6 | Very low | 28 | Very low | 109 Ų | 109 | 127.6 Ų | 127.6 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | | | trans | 94.3 | 89 | 143.8 | -125.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 859 | S | 27.8 | Very low | 28.6 | Very low | 99 Ų | 99 | 127.6 Ų | 127.6 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | | | | 50.2 | 104.1 | 129.9 | 64.5 | 0 | 0 | 0 | 0 | 121.5 | | |
| 860 | Y | 27.2 | Very low | 28.7 | Very low | 244 Ų | 244 | 127.8 Ų | 127.8 | 96% | 0.957 | 79% | 0.786 | S | S | * | * | | | | -144.5 | 163.5 | 125.9 | -122.3 | -114 | 0 | 0 | 0 | 105 | | |
| 861 | G | 28.1 | Very low | 29.3 | Very low | 62 Ų | 62 | 130.1 Ų | 130.1 | 64% | 0.639 | 79% | 0.785 | S | S | * | * | | | cis | 130.9 | 81.3 | 17.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 862 | G | 27.1 | Very low | 29.7 | Very low | 83 Ų | 83 | 131.7 Ų | 131.7 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 118.7 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 863 | T | 31.4 | Very low | 29.7 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 150.3 | 168.2 | 46.9 | 0 | 0 | 0 | 0 | 111 | | |
| 864 | I | 27.4 | Very low | 30 | Very low | 170 Ų | 170 | 132.1 Ų | 132.1 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 125.9 | 168.9 | -57.6 | 177.2 | 0 | 0 | 0 | 107.3 | | |
| 865 | S | 25.1 | Very low | 29.8 | Very low | 110 Ų | 110 | 132.1 Ų | 132.1 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 148.9 | 179.2 | -166.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 866 | M | 24.5 | Very low | 29.8 | Very low | 180 Ų | 180 | 134.9 Ų | 134.9 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | | | trans | -107.2 | 134.6 | 170.8 | -67.3 | -162.9 | 73.6 | 0 | 0 | 110.2 | | |
| 867 | S | 29.2 | Very low | 29.9 | Very low | 116 Ų | 116 | 133 Ų | 133 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | | | trans | -112 | 141.4 | 179.3 | 39.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 868 | V | 34.5 | Very low | 30 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 133.6 | 176.4 | -179.3 | 0 | 0 | 0 | 0 | 109 | | |
| 869 | P | 37.2 | Very low | 30 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 133 | 170.6 | 32.8 | -31.2 | 0 | 0 | 0 | 111.1 | | |
| 870 | H | 31.5 | Very low | 30 | Very low | 175 Ų | 175 | 132.8 Ų | 132.8 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 157.1 | 168 | -82 | -76.7 | 0 | 0 | 0 | 112.1 | | |
| 871 | T | 36.6 | Very low | 30.2 | Very low | 125 Ų | 125 | 126.4 Ų | 126.4 | 77% | 0.767 | 80% | 0.801 | S | S | * | * | | | trans | -42.2 | 143.9 | 179.1 | 51.6 | 0 | 0 | 0 | 0 | 116.9 | | |
| 872 | L | 34.9 | Very low | 30.4 | Very low | 164 Ų | 164 | 129.3 Ų | 129.3 | 86% | 0.859 | 81% | 0.812 | S | S | * | * | | | trans | -138.7 | 142 | 144.1 | -142.6 | 89.1 | 0 | 0 | 0 | 110.1 | | |
| 873 | N | 29.9 | Very low | 30.6 | Very low | 140 Ų | 140 | 129.7 Ų | 129.7 | 75% | 0.749 | 81% | 0.807 | S | S | * | * | | | trans | -90.9 | 159.9 | 167.7 | -70.3 | -62.2 | 0 | 0 | 0 | 109.8 | | |
| 874 | H | 31.3 | Very low | 31.1 | Very low | 186 Ų | 186 | 129 Ų | 129 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | | | | 179.2 | 162.3 | 122.8 | -89.6 | -57.7 | 0 | 0 | 0 | 110.6 | | |
| 875 | S | 27.8 | Very low | 31.2 | Very low | 111 Ų | 111 | 125.4 Ų | 125.4 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | -109.2 | 175.7 | -164.7 | -49.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 876 | T | 30.9 | Very low | 31.7 | Very low | 146 Ų | 146 | 126 Ų | 126 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | | | trans | 109.6 | 147.2 | 150.4 | -33.4 | 0 | 0 | 0 | 0 | 116.1 | | |
| 877 | A | 31.6 | Very low | 32.1 | Very low | 97 Ų | 97 | 125.4 Ų | 125.4 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | | | trans | -75.7 | 158.9 | -165.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 878 | G | 27.9 | Very low | 32.3 | Very low | 80 Ų | 80 | 126.9 Ų | 126.9 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | trans | -155.4 | 108.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 879 | T | 27.9 | Very low | 32.2 | Very low | 138 Ų | 138 | 128.5 Ų | 128.5 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | | | trans | -84 | 150.5 | -165 | -55 | 0 | 0 | 0 | 0 | 115 | | |
| 880 | A | 28.1 | Very low | 31.8 | Very low | 82 Ų | 82 | 126.4 Ų | 126.4 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | | | trans | 80.7 | 126 | 152.7 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 881 | S | 31.1 | Very low | 31.7 | Very low | 109 Ų | 109 | 121.4 Ų | 121.4 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | | | trans | 49.6 | 129.1 | 136.5 | 65.9 | 0 | 0 | 0 | 0 | 120.7 | | |
| 882 | S | 32.2 | Very low | 31.4 | Very low | 124 Ų | 124 | 119.2 Ų | 119.2 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | | | | -167 | 160.7 | 63 | 36.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 883 | A | 32.5 | Very low | 31.5 | Very low | 91 Ų | 91 | 119 Ų | 119 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | | | trans | -115 | 167.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 884 | P | 40.5 | Very low | 31.8 | Very low | 123 Ų | 123 | 118.2 Ų | 118.2 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | | | | -144 | 157.2 | 92 | 37.6 | -22.4 | 0 | 0 | 0 | 116.7 | | |
| 885 | S | 30.9 | Very low | 31.9 | Very low | 95 Ų | 95 | 112.7 Ų | 112.7 | 66% | 0.664 | 80% | 0.796 | S | S | * | * | | | trans | -8.6 | 132.4 | 160.6 | 55.2 | 0 | 0 | 0 | 0 | 120.5 | | |
| 886 | S | 33.8 | Very low | 32.2 | Very low | 123 Ų | 123 | 113 Ų | 113 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | | -155.1 | 143.8 | 102.7 | 44.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 887 | E | 33 | Very low | 32.4 | Very low | 167 Ų | 167 | 112.1 Ų | 112.1 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | | | trans | -111.2 | 140.5 | -166.9 | 47.6 | -96.3 | 74.5 | 0 | 0 | 115.5 | | |
| 888 | V | 34.5 | Very low | 32.7 | Very low | 147 Ų | 147 | 116 Ų | 116 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | | | trans | -152.7 | 143.5 | 145.4 | 64.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 889 | D | 31.1 | Very low | 32.7 | Very low | 156 Ų | 156 | 117.7 Ų | 117.7 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | | | trans | -87.3 | 158.3 | -171.1 | -167 | 7.2 | 0 | 0 | 0 | 113 | | |
| 890 | G | 30 | Very low | 32.9 | Very low | 75 Ų | 75 | 120.2 Ų | 120.2 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | trans | 177.9 | 44.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | G892 | G890-G892 PolarHBondContact O-N 2.67Š|
| 891 | G | 29.8 | Very low | 32.9 | Very low | 71 Ų | 71 | 121.1 Ų | 121.1 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | | | trans | -65 | 123.5 | -172 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 892 | G | 29.8 | Very low | 33 | Very low | 78 Ų | 78 | 122.2 Ų | 122.2 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | -119.7 | 120.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | G890 | G890-G892 PolarHBondContact O-N 2.67Š|
| 893 | I | 36 | Very low | 33.2 | Very low | 159 Ų | 159 | 121.5 Ų | 121.5 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | | | trans | -115.2 | 115.9 | -176.2 | -55.7 | 177.4 | 0 | 0 | 0 | 110.1 | G895 | I893-G895 PolarHBondContact O-N 3.47Š|
| 894 | C | 36.8 | Very low | 33 | Very low | 125 Ų | 125 | 123 Ų | 123 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | | | trans | -79.1 | 103.9 | 176.5 | 54.5 | 0 | 0 | 0 | 0 | 111.9 | S896 | C894-S896 PolarHBondContact O-N 3.14Š|
| 895 | G | 33.6 | Very low | 32.7 | Very low | 70 Ų | 70 | 122.4 Ų | 122.4 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | | | trans | -79.4 | 95.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I893 | I893-G895 PolarHBondContact O-N 3.47Š|
| 896 | S | 33.7 | Very low | 33 | Very low | 118 Ų | 118 | 123.8 Ų | 123.8 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | -76.7 | 124.2 | 173.8 | -172.5 | 0 | 0 | 0 | 0 | 110.9 | C894 | C894-S896 PolarHBondContact O-N 3.14Š|
| 897 | V | 36.1 | Very low | 33 | Very low | 127 Ų | 127 | 125.3 Ų | 125.3 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | | | trans | -118.8 | 118.5 | 178.8 | -163.3 | 0 | 0 | 0 | 0 | 109.1 | S899 | V897-S899 PolarHBondContact O-N 3.19Š|
| 898 | M | 37.2 | Very low | 33 | Very low | 179 Ų | 179 | 123 Ų | 123 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | | | trans | -74.5 | 114.3 | -179.3 | -71.7 | 178 | 161.9 | 0 | 0 | 111.2 | | |
| 899 | S | 28.9 | Very low | 32.7 | Very low | 114 Ų | 114 | 121 Ų | 121 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | | | trans | -85 | 125 | 171 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | V897 | V897-S899 PolarHBondContact O-N 3.19Š|
| 900 | F | 30.3 | Very low | 32.6 | Very low | 191 Ų | 191 | 117.2 Ų | 117.2 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | | | trans | -87.3 | 110.5 | 173.6 | 44.5 | -88.6 | 0 | 0 | 0 | 110.5 | | |
| 901 | S | 30.1 | Very low | 32.6 | Very low | 102 Ų | 102 | 123.1 Ų | 123.1 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | | | trans | -103.1 | 105.2 | 175.9 | 47.8 | 0 | 0 | 0 | 0 | 111.1 | T903 | S901-T903 PolarHBondContact O-N 3.08Å; S901-T903 VanDerWaalsContact O-N 3.15Å |
| 902 | V | 33 | Very low | 32.5 | Very low | 132 Ų | 132 | 124.6 Ų | 124.6 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | | | trans | -79.7 | 96.6 | 173.9 | -179.8 | 0 | 0 | 0 | 0 | 109 | V904 | V902-V904 PolarHBondContact O-N 3.4Š|
| 903 | T | 34.7 | Very low | 32.5 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 66% | 0.663 | 79% | 0.793 | S | S | * | * | | | trans | -82.6 | 105.4 | -179.5 | -55.1 | 0 | 0 | 0 | 0 | 110.6 | S901 T905 | S901-T903 PolarHBondContact O-N 3.08Å; S901-T903 VanDerWaalsContact O-N 3.15Å; T903-T905 PolarHBondContact O-N 3.18Å |
| 904 | V | 28.9 | Very low | 32.3 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | | | trans | -82.3 | 89.8 | 173.6 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | V902 T906 | V902-V904 PolarHBondContact O-N 3.4Å; V904-T906 PolarHBondContact O-N 3.11Å |
| 905 | T | 34.5 | Very low | 32.2 | Very low | 112 Ų | 112 | 129 Ų | 129 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | | | trans | -70.6 | 108.4 | 178.8 | -54.2 | 0 | 0 | 0 | 0 | 111.4 | T903 | T903-T905 PolarHBondContact O-N 3.18Š|
| 906 | T | 36.6 | Very low | 32.1 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 130.7 | 164.5 | 49.7 | 0 | 0 | 0 | 0 | 109.4 | V904 | V904-T906 PolarHBondContact O-N 3.11Š|
| 907 | I | 34.1 | Very low | 31.9 | Very low | 155 Ų | 155 | 132.1 Ų | 132.1 | 80% | 0.795 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 121.3 | -176.8 | -60.2 | 176 | 0 | 0 | 0 | 109.5 | | |
| 908 | P | 33 | Very low | 31.8 | Very low | 119 Ų | 119 | 134 Ų | 134 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -72 | 136.1 | 172.7 | -16.1 | 31.2 | 0 | 0 | 0 | 111.7 | G910 | P908-G910 PolarHBondContact O-N 3.14Š|
| 909 | A | 27.7 | Very low | 31.2 | Very low | 105 Ų | 105 | 128.8 Ų | 128.8 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | | | trans | -86.2 | 103.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 910 | G | 29.6 | Very low | 31.1 | Very low | 76 Ų | 76 | 130.2 Ų | 130.2 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | | | trans | -108.3 | 127.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | P908 | P908-G910 PolarHBondContact O-N 3.14Š|
| 911 | H | 30.7 | Very low | 31.3 | Very low | 200 Ų | 200 | 127 Ų | 127 | 93% | 0.926 | 77% | 0.767 | S | S | * | * | | | trans | -95.3 | 123.5 | 174.3 | -88.6 | -80.1 | 0 | 0 | 0 | 111.8 | | |
| 912 | A | 27 | Very low | 31.1 | Very low | 102 Ų | 102 | 126.1 Ų | 126.1 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | | | trans | -147.2 | 136 | 150.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 913 | L | 30.6 | Very low | 30.7 | Very low | 157 Ų | 157 | 130.7 Ų | 130.7 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | | | trans | -136.8 | 132.4 | 168.6 | -166 | 101.4 | 0 | 0 | 0 | 108 | | |
| 914 | D | 31.9 | Very low | 30.5 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 63% | 0.631 | 76% | 0.763 | S | S | * | * | | | trans | -77.5 | 175.9 | 177.2 | -151.1 | -66.6 | 0 | 0 | 0 | 111.4 | S916 | D914-S916 PolarHBondContact OD1-OG 3Š|
| 915 | H | 33.7 | Very low | 30.7 | Very low | 180 Ų | 180 | 134 Ų | 134 | 83% | 0.833 | 76% | 0.764 | S | S | * | * | | | trans | -166.6 | 122.9 | 137.9 | -95.4 | -47.7 | 0 | 0 | 0 | 111.4 | | |
| 916 | S | 32.2 | Very low | 30.3 | Very low | 96 Ų | 96 | 132.9 Ų | 132.9 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | | | trans | -104.2 | 166.3 | -167.2 | -18.5 | 0 | 0 | 0 | 0 | 114.2 | D914 | D914-S916 PolarHBondContact OD1-OG 3Š|
| 917 | N | 29.3 | Very low | 29.7 | Very low | 157 Ų | 157 | 136.3 Ų | 136.3 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | | | trans | -172.8 | 150.8 | 161.5 | -115.8 | -115.2 | 0 | 0 | 0 | 108.6 | | |
| 918 | Q | 34.8 | Very low | 29.7 | Very low | 165 Ų | 165 | 135.3 Ų | 135.3 | 77% | 0.771 | 76% | 0.76 | S | S | * | * | | | cis | -166.4 | 160.7 | -23.1 | -117 | -65.1 | 19.9 | 0 | 0 | 107.5 | | |
| 919 | G | 24.3 | Very low | 29.9 | Very low | 71 Ų | 71 | 137.9 Ų | 137.9 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | | | trans | 159.9 | 105.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 920 | E | 26.5 | Very low | 30.1 | Very low | 144 Ų | 144 | 136.5 Ų | 136.5 | 67% | 0.673 | 76% | 0.758 | S | S | * | * | | | trans | -94 | 159 | 178.7 | -112.6 | -83.6 | 101.2 | 0 | 0 | 111.6 | S922 | E920-S922 PolarHBondContact OE1-N 3.1Å; E920-S922 WeakPolarHBondContact OE2-CB 3.5Å; E920-S922 PolarHBondContact OE2-N 3.18Å |
| 921 | P | 35.2 | Very low | 30.3 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | | | | -154 | 123.6 | 81.1 | 37.3 | -15.3 | 0 | 0 | 0 | 119.6 | | |
| 922 | S | 24.4 | Very low | 30.3 | Very low | 85 Ų | 85 | 135.1 Ų | 135.1 | 59% | 0.594 | 75% | 0.752 | S | S | * | * | | | | 25.1 | 128 | 129.9 | -172.6 | 0 | 0 | 0 | 0 | 123.1 | E920 | E920-S922 PolarHBondContact OE1-N 3.1Å; E920-S922 WeakPolarHBondContact OE2-CB 3.5Å; E920-S922 PolarHBondContact OE2-N 3.18Å |
| 923 | R | 26.1 | Very low | 31 | Very low | 228 Ų | 228 | 136.9 Ų | 136.9 | 86% | 0.86 | 74% | 0.744 | S | S | * | * | | | | -166.6 | 103.7 | 125.9 | -153.9 | 168.1 | -172.6 | 172 | 0.4 | 109.5 | | |
| 924 | E | 30 | Very low | 31.8 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 64% | 0.64 | 75% | 0.747 | S | S | * | * | | | | 64 | 122.7 | 81.1 | -176.9 | 173.2 | -135.1 | 0 | 0 | 113.4 | | |
| 925 | Q | 31.8 | Very low | 32.3 | Very low | 163 Ų | 163 | 138.4 Ų | 138.4 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | | | cis | -153.7 | -173.9 | 1.5 | -129.9 | -176.9 | 100.5 | 0 | 0 | 108 | | |
| 926 | S | 26.1 | Very low | 32.6 | Very low | 87 Ų | 87 | 134.5 Ų | 134.5 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | | | cis | -169.1 | 152 | 2.2 | 46.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 927 | F | 25 | Very low | 33.2 | Very low | 196 Ų | 196 | 135.4 Ų | 135.4 | 86% | 0.86 | 73% | 0.729 | S | S | * | * | | | trans | 65.9 | 135.2 | 158.3 | -124.5 | -141.3 | 0 | 0 | 0 | 117.1 | | |
| 928 | I | 34.1 | Very low | 34.2 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 68% | 0.682 | 73% | 0.726 | S | S | * | * | | | cis | -132.9 | 153.1 | 16.5 | -76 | 173.6 | 0 | 0 | 0 | 111.5 | | |
| 929 | E | 37.7 | Very low | 35 | Very low | 174 Ų | 174 | 132.6 Ų | 132.6 | 81% | 0.813 | 72% | 0.721 | S | S | * | * | | | trans | -2.4 | 119.4 | 154.8 | -148.2 | 72 | -144 | 0 | 0 | 118.5 | | |
| 930 | G | 31.5 | Very low | 36.9 | Very low | 76 Ų | 76 | 131.9 Ų | 131.9 | 78% | 0.784 | 70% | 0.704 | S | S | * | * | | | trans | -150.1 | 104 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 931 | A | 33.5 | Very low | 38.5 | Very low | 88 Ų | 88 | 136.1 Ų | 136.1 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | | | trans | -70.5 | 136.7 | -166.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | M933 | A931-M933 PolarHBondContact O-N 2.69Š|
| 932 | N | 31.4 | Very low | 40.3 | Very low | 159 Ų | 159 | 131.4 Ų | 131.4 | 85% | 0.85 | 69% | 0.685 | S | S | * | * | | | trans | -70.9 | 118 | 171.9 | -176.4 | -91.4 | 0 | 0 | 0 | 110.4 | | |
| 933 | M | 42.3 | Very low | 42 | Very low | 138 Ų | 138 | 137.8 Ų | 137.8 | 68% | 0.68 | 70% | 0.696 | S | S | * | * | | | trans | -134.6 | 174.3 | 166.8 | -72.6 | -158.2 | 69.5 | 0 | 0 | 109.8 | A931 V936 | A931-M933 PolarHBondContact O-N 2.69Å; M933-V936 HydrophobicContact CE-CG2 4.11Å |
| 934 | E | 45.5 | Very low | 43.9 | Very low | 191 Ų | 191 | 133.9 Ų | 133.9 | 89% | 0.893 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 78.4 | 30.7 | 173.4 | -50.1 | -165.5 | 102.9 | 0 | 0 | 118.1 | | |
| 935 | D | 42.7 | Very low | 45.5 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 63% | 0.626 | 68% | 0.682 | S | S | * | * | | | | -116 | 57.5 | 122.9 | -172.8 | 23.4 | 0 | 0 | 0 | 110.9 | Q937 | D935-Q937 PolarHBondContact O-N 2.74Å; D935-Q937 WeakPolarHBondContact OD1-CG 3.49Å; D935-Q937 PolarHBondContact OD1-N 3.23Å |
| 936 | V | 40.8 | Very low | 47.3 | Very low | 97 Ų | 97 | 128.2 Ų | 128.2 | 59% | 0.588 | 68% | 0.677 | S | S | * | * | | | trans | -88.4 | 63.3 | 158.8 | -169.1 | 0 | 0 | 0 | 0 | 108.3 | M933 S938 | M933-V936 HydrophobicContact CE-CG2 4.11Å; V936-S938 PolarHBondContact O-N 3.47Å |
| 937 | Q | 43.6 | Very low | 50.2 | Low | 116 Ų | 116 | 129.4 Ų | 129.4 | 54% | 0.542 | 68% | 0.675 | S | S | . | * | | | trans | -41.7 | 118 | 150.3 | -94.5 | 177.9 | 20.6 | 0 | 0 | 107.8 | D935 K939 | D935-Q937 PolarHBondContact O-N 2.74Å; D935-Q937 WeakPolarHBondContact OD1-CG 3.49Å; D935-Q937 PolarHBondContact OD1-N 3.23Å; Q937-K939 PolarHBondContact O-N 3.44Å; Q937-K939 VanDerWaalsContact OE1-NZ 3.12Å |
| 938 | S | 50.9 | Low | 53 | Low | 109 Ų | 109 | 122.5 Ų | 122.5 | 76% | 0.762 | 65% | 0.646 | S | S | * | * | | | trans | -74.1 | 69.5 | -168.9 | -42.3 | 0 | 0 | 0 | 0 | 111.7 | V936 C940 | V936-S938 PolarHBondContact O-N 3.47Å; S938-C940 PolarHBondContact O-N 2.05Å; S938-C940 PolarHBondContact O-SG 3.49Å |
| 939 | K | 51.6 | Low | 55.7 | Low | 154 Ų | 154 | 121.6 Ų | 121.6 | 67% | 0.67 | 64% | 0.64 | S | S | * | * | | | trans | -68.6 | 66.3 | 171.7 | -73.9 | 166.5 | -177.2 | 140 | 0 | 109 | Q937 Y941 | Q937-K939 PolarHBondContact O-N 3.44Å; Q937-K939 VanDerWaalsContact OE1-NZ 3.12Å; K939-Y941 PolarHBondContact O-N 3.25Å |
| 940 | C | 63.7 | Low | 58.2 | Low | 56 Ų | 56 | 113.3 Ų | 113.3 | 38% | 0.378 | 60% | 0.602 | S | S | . | * | | | trans | -61 | 118.6 | 178.8 | 45.8 | 0 | 0 | 0 | 0 | 109.6 | S938 C942 H958 C961 | S938-C940 PolarHBondContact O-N 2.05Å; S938-C940 PolarHBondContact O-SG 3.49Å; C940-C942 HydrophobicContact CB-CB 4.29Å; C940-C942 PolarHBondContact O-N 2.86Å; C940-H958 PolarHBondContact SG-ND1 3.5Å; C940-H958 VanDerWaalsContact SG-ND1 3.44Å; C940-C961 WeakPolarHBondContact CB-SG 3.34Å |
| 941 | Y | 60 | Low | 60.9 | Low | 232 Ų | 232 | 117.5 Ų | 117.5 | 91% | 0.91 | 60% | 0.599 | S | S | * | * | | | trans | -71 | 8.3 | 174.1 | -96.6 | -94.7 | 0 | 0 | 0 | 113.4 | K939 R943 | K939-Y941 PolarHBondContact O-N 3.25Å; Y941-R943 PolarHBondContact O-N 2.91Å |
| 942 | C | 74.3 | Confident | 63.4 | Low | 23 Ų | 23 | 115.9 Ų | 115.9 | 16% | 0.155 | 59% | 0.59 | C | S | . | * | | | trans | -51.1 | 129.6 | 168.1 | -64.5 | 0 | 0 | 0 | 0 | 109.7 | C940 L944 H958 D960 C961 | C940-C942 HydrophobicContact CB-CB 4.29Å; C940-C942 PolarHBondContact O-N 2.86Å; C942-L944 PolarHBondContact O-N 3.25Å; C942-H958 HydrophobicContact CB-CB 3.7Å; C942-D960 HydrophobicContact CB-CB 3.91Å; C942-D960 PolarHBondContact SG-O 3.36Å; C942-C961 HydrophobicContact CB-CB 4.25Å; C942-C961 WeakPolarHBondContact CB-SG 3.48Å; C942-C961 VanDerWaalsContact SG-CA 3.6Å; C942-C961 WeakPolarHBondContact SG-CB 3.44Å; C942-C961 PolarHBondContact SG-N 3.11Å; C942-C961 CovalentContact SG-SG 2.05Å; C942-C961 PolarHBondContact SG-SG 3Å |
| 943 | R | 58.8 | Low | 66.3 | Low | 220 Ų | 220 | 111.8 Ų | 111.8 | 83% | 0.83 | 57% | 0.573 | S | S | * | * | | | trans | -84.3 | 46.3 | -160.6 | -72.5 | -173.7 | 171.8 | -177.5 | -0.1 | 114.2 | Y941 K945 D960 | Y941-R943 PolarHBondContact O-N 2.91Å; R943-K945 PolarHBondContact O-N 3.34Å; R943-D960 PolarHBondContact N-OD2 2.86Å |
| 944 | L | 66.2 | Low | 68.3 | Low | 146 Ų | 146 | 107 Ų | 107 | 76% | 0.764 | 56% | 0.559 | S | S | * | * | | | trans | 47.3 | 32.9 | 175.6 | -64.2 | 173.8 | 0 | 0 | 0 | 114.4 | C942 | C942-L944 PolarHBondContact O-N 3.25Š|
| 945 | K | 64.3 | Low | 70.3 | Confident | 99 Ų | 99 | 100 Ų | 100 | 43% | 0.43 | 53% | 0.534 | S | S | . | . | | | trans | -63.1 | 163.2 | 165.3 | -84.1 | 157.6 | 129.6 | -159.8 | 0 | 110.3 | R943 M947 D959 D960 | R943-K945 PolarHBondContact O-N 3.34Å; K945-M947 PolarHBondContact O-N 3.15Å; K945-D959 HydrophobicContact CB-CB 3.82Å; K945-D959 HydrophobicContact CD-CB 4.2Å; K945-D959 WeakPolarHBondContact CE-OD2 3.34Å; K945-D959 IonicContact NZ-OD2 2.67Å; K945-D959 PolarHBondContact NZ-OD2 2.96Å; K945-D960 WeakPolarHBondContact CD-OD1 3.44Å; K945-D960 IonicContact NZ-OD1 2.81Å; K945-D960 PolarHBondContact NZ-OD1 3.36Å |
| 946 | A | 70.3 | Confident | 72.4 | Confident | 81 Ų | 81 | 100.7 Ų | 100.7 | 67% | 0.669 | 53% | 0.531 | S | S | * | . | | | trans | -45.3 | 135.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 947 | M | 86.2 | Confident | 74.7 | Confident | 113 Ų | 113 | 97.2 Ų | 97.2 | 56% | 0.557 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 133.1 | 179.1 | -57.2 | 179.3 | 84.6 | 0 | 0 | 109.8 | K945 F956 C957 | K945-M947 PolarHBondContact O-N 3.15Å; M947-F956 HydrophobicContact CB-CB 4.19Å; M947-F956 HydrophobicContact CB-CD1 4.38Å; M947-F956 HydrophobicContact CE-CB 3.86Å; M947-C957 CarbonylContact C-O 3.56Å; M947-C957 VanDerWaalsContact CA-O 3.29Å; M947-C957 WeakPolarHBondContact CA-O 3.33Å |
| 948 | I | 84.4 | Confident | 76.8 | Confident | 50 Ų | 50 | 93.3 Ų | 93.3 | 26% | 0.256 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 133.1 | -179.1 | -58.1 | -176.6 | 0 | 0 | 0 | 108.4 | C950 C957 D959 I962 | I948-C950 PolarHBondContact O-N 2.82Å; I948-C957 PolarHBondContact N-O 3.05Å; I948-C957 PolarHBondContact O-N 2.84Å; I948-D959 HydrophobicContact CD1-CB 3.99Å; I948-D959 WeakPolarHBondContact CD1-OD1 3.3Å; I948-I962 HydrophobicContact CB-CD1 4.22Å; I948-I962 HydrophobicContact CG2-CD1 3.79Å |
| 949 | M | 89.8 | Confident | 78.2 | Confident | 114 Ų | 114 | 91 Ų | 91 | 56% | 0.562 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 125.2 | 177 | -175.2 | 169.9 | 65.9 | 0 | 0 | 111.2 | G954 F956 | M949-G954 WeakPolarHBondContact CG-O 3.21Å; M949-F956 HydrophobicContact CB-CD1 4.34Å; M949-F956 HydrophobicContact CB-CE1 4.15Å |
| 950 | C | 91.4 | Very high | 79.7 | Confident | 1 Ų | 1 | 87.4 Ų | 87.4 | 1% | 0.007 | 46% | 0.46 | C | S | . | . | | | trans | -65.3 | 127.7 | 170 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | I948 G952 G954 A955 C968 | I948-C950 PolarHBondContact O-N 2.82Å; C950-G952 VanDerWaalsContact C-N 3.27Å; C950-G952 PolarHBondContact O-N 3.47Å; C950-G952 PolarHBondContact SG-N 3.29Å; C950-G952 VanDerWaalsContact SG-N 3.36Å; C950-G954 VanDerWaalsContact O-CA 3.24Å; C950-G954 WeakPolarHBondContact O-CA 3.36Å; C950-G954 PolarHBondContact O-N 3.02Å; C950-A955 VanDerWaalsContact CB-O 3.3Å; C950-A955 WeakPolarHBondContact CB-O 3.3Å; C950-A955 PolarHBondContact N-O 3.21Å; C950-C968 HydrophobicContact CB-CB 4.15Å; C950-C968 PolarHBondContact SG-N 3.03Å |
| 951 | K | 87.7 | Confident | 80.6 | Confident | 164 Ų | 164 | 86.1 Ų | 86.1 | 71% | 0.713 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -22.2 | 176.8 | -76.1 | -171.8 | 168.8 | -169.4 | 0 | 114.6 | K966 L967 | K951-K966 HydrophobicContact CD-CB 4.25Å; K951-K966 HydrophobicContact CG-CB 4.16Å; K951-K966 PolarHBondContact N-O 3.29Å; K951-L967 HydrophobicContact CB-CD2 3.95Å |
| 952 | G | 86.3 | Confident | 81.8 | Confident | 53 Ų | 53 | 76.3 Ų | 76.3 | 55% | 0.546 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -51 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | C950 | C950-G952 VanDerWaalsContact C-N 3.27Å; C950-G952 PolarHBondContact O-N 3.47Å; C950-G952 PolarHBondContact SG-N 3.29Å; C950-G952 VanDerWaalsContact SG-N 3.36Å |
| 953 | C | 90.9 | Very high | 82.2 | Confident | 73 Ų | 73 | 75.9 Ų | 75.9 | 49% | 0.493 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | 1.6 | -174.7 | 63.9 | 0 | 0 | 0 | 0 | 114.9 | A955 C968 C971 | C953-A955 PolarHBondContact O-N 3.48Å; C953-A955 VanDerWaalsContact SG-CB 3.57Å; C953-C968 VanDerWaalsContact SG-SG 3.65Å; C953-C971 VanDerWaalsContact SG-SG 3.62Å |
| 954 | G | 85.6 | Confident | 83.3 | Confident | 38 Ų | 38 | 72 Ų | 72 | 39% | 0.392 | 42% | 0.417 | S | S | . | . | | | trans | 69.8 | -4.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | M949 C950 | M949-G954 WeakPolarHBondContact CG-O 3.21Å; C950-G954 VanDerWaalsContact O-CA 3.24Å; C950-G954 WeakPolarHBondContact O-CA 3.36Å; C950-G954 PolarHBondContact O-N 3.02Å |
| 955 | A | 87.4 | Confident | 84.3 | Confident | 43 Ų | 43 | 68.3 Ų | 68.3 | 36% | 0.355 | 40% | 0.404 | S | S | . | . | | | trans | -66.4 | 141.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | C950 C953 | C950-A955 VanDerWaalsContact CB-O 3.3Å; C950-A955 WeakPolarHBondContact CB-O 3.3Å; C950-A955 PolarHBondContact N-O 3.21Å; C953-A955 PolarHBondContact O-N 3.48Å; C953-A955 VanDerWaalsContact SG-CB 3.57Å |
| 956 | F | 87.1 | Confident | 85.3 | Confident | 132 Ų | 132 | 69 Ų | 69 | 58% | 0.579 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 117.1 | 173.1 | -71.4 | -84.1 | 0 | 0 | 0 | 110.5 | M947 M949 | M947-F956 HydrophobicContact CB-CB 4.19Å; M947-F956 HydrophobicContact CB-CD1 4.38Å; M947-F956 HydrophobicContact CE-CB 3.86Å; M949-F956 HydrophobicContact CB-CD1 4.34Å; M949-F956 HydrophobicContact CB-CE1 4.15Å |
| 957 | C | 87.9 | Confident | 86.3 | Confident | 24 Ų | 24 | 65.8 Ų | 65.8 | 16% | 0.162 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 155.8 | 178.2 | -59.7 | 0 | 0 | 0 | 0 | 110.5 | M947 I948 I962 C968 | M947-C957 CarbonylContact C-O 3.56Å; M947-C957 VanDerWaalsContact CA-O 3.29Å; M947-C957 WeakPolarHBondContact CA-O 3.33Å; I948-C957 PolarHBondContact N-O 3.05Å; I948-C957 PolarHBondContact O-N 2.84Å; C957-I962 HydrophobicContact CB-CB 4.44Å; C957-C968 WeakPolarHBondContact SG-CB 3.4Å |
| 958 | H | 87.6 | Confident | 86.4 | Confident | 35 Ų | 35 | 60.9 Ų | 60.9 | 16% | 0.162 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 150.2 | 169.8 | -56 | 123 | 0 | 0 | 0 | 110.9 | C940 C942 D960 C961 I962 | C940-H958 PolarHBondContact SG-ND1 3.5Å; C940-H958 VanDerWaalsContact SG-ND1 3.44Å; C942-H958 HydrophobicContact CB-CB 3.7Å; H958-D960 VanDerWaalsContact C-N 3.29Å; H958-D960 PolarHBondContact O-N 2.84Å; H958-C961 HydrophobicContact CB-CB 3.95Å; H958-C961 CarbonylContact O-C 3.45Å; H958-C961 WeakPolarHBondContact O-CA 3.28Å; H958-C961 VanDerWaalsContact O-CB 3.3Å; H958-C961 WeakPolarHBondContact O-CB 3.24Å; H958-C961 PolarHBondContact O-N 3.06Å; H958-I962 PolarHBondContact O-N 3.35Å |
| 959 | D | 81.5 | Confident | 86.3 | Confident | 61 Ų | 61 | 63 Ų | 63 | 33% | 0.326 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -54.2 | -39.8 | 176 | -179.4 | 58.7 | 0 | 0 | 0 | 113.2 | K945 I948 C961 | K945-D959 HydrophobicContact CB-CB 3.82Å; K945-D959 HydrophobicContact CD-CB 4.2Å; K945-D959 WeakPolarHBondContact CE-OD2 3.34Å; K945-D959 IonicContact NZ-OD2 2.67Å; K945-D959 PolarHBondContact NZ-OD2 2.96Å; I948-D959 HydrophobicContact CD1-CB 3.99Å; I948-D959 WeakPolarHBondContact CD1-OD1 3.3Å; D959-C961 PolarHBondContact O-N 2.82Å |
| 960 | D | 81.9 | Confident | 86 | Confident | 77 Ų | 77 | 62 Ų | 62 | 41% | 0.412 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -76.2 | -3.6 | 175.8 | -41.2 | -51.6 | 0 | 0 | 0 | 113.4 | C942 R943 K945 H958 | C942-D960 HydrophobicContact CB-CB 3.91Å; C942-D960 PolarHBondContact SG-O 3.36Å; R943-D960 PolarHBondContact N-OD2 2.86Å; K945-D960 WeakPolarHBondContact CD-OD1 3.44Å; K945-D960 IonicContact NZ-OD1 2.81Å; K945-D960 PolarHBondContact NZ-OD1 3.36Å; H958-D960 VanDerWaalsContact C-N 3.29Å; H958-D960 PolarHBondContact O-N 2.84Å |
| 961 | C | 82.8 | Confident | 85.8 | Confident | 30 Ų | 30 | 63 Ų | 63 | 20% | 0.203 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -116.2 | 4.3 | -173.1 | -85.1 | 0 | 0 | 0 | 0 | 112.9 | C940 C942 H958 D959 | C940-C961 WeakPolarHBondContact CB-SG 3.34Å; C942-C961 HydrophobicContact CB-CB 4.25Å; C942-C961 WeakPolarHBondContact CB-SG 3.48Å; C942-C961 VanDerWaalsContact SG-CA 3.6Å; C942-C961 WeakPolarHBondContact SG-CB 3.44Å; C942-C961 PolarHBondContact SG-N 3.11Å; C942-C961 CovalentContact SG-SG 2.05Å; C942-C961 PolarHBondContact SG-SG 3Å; H958-C961 HydrophobicContact CB-CB 3.95Å; H958-C961 CarbonylContact O-C 3.45Å; H958-C961 WeakPolarHBondContact O-CA 3.28Å; H958-C961 VanDerWaalsContact O-CB 3.3Å; H958-C961 WeakPolarHBondContact O-CB 3.24Å; H958-C961 PolarHBondContact O-N 3.06Å; D959-C961 PolarHBondContact O-N 2.82Å |
| 962 | I | 86.1 | Confident | 85.5 | Confident | 25 Ų | 25 | 58.1 Ų | 58.1 | 13% | 0.128 | 36% | 0.363 | C | S | . | . | B | Isolated β-bridge | trans | -114.7 | 133.1 | 176.8 | -157.9 | 177.3 | 0 | 0 | 0 | 108.8 | I948 C957 H958 K966 L967 | I948-I962 HydrophobicContact CB-CD1 4.22Å; I948-I962 HydrophobicContact CG2-CD1 3.79Å; C957-I962 HydrophobicContact CB-CB 4.44Å; H958-I962 PolarHBondContact O-N 3.35Å; I962-K966 HydrophobicContact CD1-CB 4.17Å; I962-L967 VanDerWaalsContact CG1-O 3.28Å; I962-L967 WeakPolarHBondContact CG1-O 3.46Å |
| 963 | G | 81.7 | Confident | 85.1 | Confident | 15 Ų | 15 | 61.3 Ų | 61.3 | 16% | 0.155 | 37% | 0.371 | C | S | . | . | | | trans | -73.7 | 167.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S965 K966 L967 | G963-S965 PolarHBondContact O-N 3.21Å; G963-K966 WeakPolarHBondContact O-CA 3.44Å; G963-K966 PolarHBondContact O-N 3.09Å; G963-L967 PolarHBondContact N-O 3.21Å |
| 964 | P | 81.9 | Confident | 83.7 | Confident | 137 Ų | 137 | 63.7 Ų | 63.7 | 89% | 0.89 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -29.1 | -174.6 | 22.2 | -33.7 | 0 | 0 | 0 | 113.7 | K966 | P964-K966 PolarHBondContact O-N 3.31Å; P964-K966 VanDerWaalsContact O-N 3.11Å |
| 965 | S | 87.7 | Confident | 82.2 | Confident | 69 Ų | 69 | 71.7 Ų | 71.7 | 48% | 0.483 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -1.8 | 174 | -45.8 | 0 | 0 | 0 | 0 | 114.7 | G963 L967 | G963-S965 PolarHBondContact O-N 3.21Å; S965-L967 VanDerWaalsContact C-N 3.33Å |
| 966 | K | 86.1 | Confident | 82 | Confident | 113 Ų | 113 | 73.2 Ų | 73.2 | 49% | 0.491 | 41% | 0.413 | S | S | . | . | S | Bend | trans | 57.7 | 42.3 | -166.6 | -57.8 | -168.5 | 177.6 | -170.3 | 0 | 112.9 | K951 I962 G963 P964 | K951-K966 HydrophobicContact CD-CB 4.25Å; K951-K966 HydrophobicContact CG-CB 4.16Å; K951-K966 PolarHBondContact N-O 3.29Å; I962-K966 HydrophobicContact CD1-CB 4.17Å; G963-K966 WeakPolarHBondContact O-CA 3.44Å; G963-K966 PolarHBondContact O-N 3.09Å; P964-K966 PolarHBondContact O-N 3.31Å; P964-K966 VanDerWaalsContact O-N 3.11Å |
| 967 | L | 89.4 | Confident | 81.7 | Confident | 14 Ų | 14 | 70.1 Ų | 70.1 | 7% | 0.073 | 41% | 0.405 | C | S | . | . | | | trans | -117.4 | 141.9 | 173.4 | -63.9 | 178.9 | 0 | 0 | 0 | 109.3 | K951 I962 G963 S965 C971 L972 | K951-L967 HydrophobicContact CB-CD2 3.95Å; I962-L967 VanDerWaalsContact CG1-O 3.28Å; I962-L967 WeakPolarHBondContact CG1-O 3.46Å; G963-L967 PolarHBondContact N-O 3.21Å; S965-L967 VanDerWaalsContact C-N 3.33Å; L967-C971 HydrophobicContact CB-CB 4.05Å; L967-C971 HydrophobicContact CD2-CB 4.23Å; L967-L972 HydrophobicContact CB-CD1 4.46Å; L967-L972 HydrophobicContact CB-CD2 3.81Å; L967-L972 HydrophobicContact CB-CG 3.76Å; L967-L972 HydrophobicContact CD1-CD2 4.08Å; L967-L972 WeakPolarHBondContact O-CD1 3.34Å |
| 968 | C | 89.1 | Confident | 81.4 | Confident | 10 Ų | 10 | 72.6 Ų | 72.6 | 7% | 0.068 | 42% | 0.418 | C | S | . | . | B | Isolated β-bridge | trans | -71.2 | 163.4 | 171.8 | 71.2 | 0 | 0 | 0 | 0 | 110.5 | C950 C953 C957 S970 C971 L972 | C950-C968 HydrophobicContact CB-CB 4.15Å; C950-C968 PolarHBondContact SG-N 3.03Å; C953-C968 VanDerWaalsContact SG-SG 3.65Å; C957-C968 WeakPolarHBondContact SG-CB 3.4Å; C968-S970 VanDerWaalsContact C-N 3.25Å; C968-S970 PolarHBondContact O-N 3.36Å; C968-C971 PolarHBondContact O-N 3.41Å; C968-C971 PolarHBondContact SG-N 2.93Å; C968-C971 VanDerWaalsContact SG-SG 3.62Å; C968-L972 WeakPolarHBondContact O-CG 3.47Å; C968-L972 PolarHBondContact O-N 2.78Å |
| 969 | V | 83.4 | Confident | 81 | Confident | 95 Ų | 95 | 74.8 Ų | 74.8 | 58% | 0.576 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -51.6 | -44.7 | -180 | -175.9 | 0 | 0 | 0 | 0 | 111.7 | C971 L972 V973 | V969-C971 VanDerWaalsContact C-N 3.3Å; V969-C971 PolarHBondContact O-N 3.33Å; V969-L972 PolarHBondContact O-N 3.31Å; V969-L972 VanDerWaalsContact O-N 3.09Å; V969-V973 WeakPolarHBondContact O-CG2 3.35Å; V969-V973 PolarHBondContact O-N 3.26Å |
| 970 | S | 82.9 | Confident | 81 | Confident | 92 Ų | 92 | 75.7 Ų | 75.7 | 64% | 0.643 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -62.8 | -30.1 | 177.6 | -45.6 | 0 | 0 | 0 | 0 | 114.1 | C968 V974 | C968-S970 VanDerWaalsContact C-N 3.25Å; C968-S970 PolarHBondContact O-N 3.36Å; S970-V974 WeakPolarHBondContact O-CG2 3.29Å |
| 971 | C | 86.3 | Confident | 80.9 | Confident | 24 Ų | 24 | 75.6 Ų | 75.6 | 16% | 0.162 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -86.2 | -14.8 | 175.1 | -71.3 | 0 | 0 | 0 | 0 | 113.4 | C953 L967 C968 V969 | C953-C971 VanDerWaalsContact SG-SG 3.62Å; L967-C971 HydrophobicContact CB-CB 4.05Å; L967-C971 HydrophobicContact CD2-CB 4.23Å; C968-C971 PolarHBondContact O-N 3.41Å; C968-C971 PolarHBondContact SG-N 2.93Å; C968-C971 VanDerWaalsContact SG-SG 3.62Å; V969-C971 VanDerWaalsContact C-N 3.3Å; V969-C971 PolarHBondContact O-N 3.33Å |
| 972 | L | 81.5 | Confident | 80.8 | Confident | 61 Ų | 61 | 78.9 Ų | 78.9 | 32% | 0.319 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -86.2 | -24.2 | 176.3 | -72 | 162.6 | 0 | 0 | 0 | 112.7 | L967 C968 V969 V974 | L967-L972 HydrophobicContact CB-CD1 4.46Å; L967-L972 HydrophobicContact CB-CD2 3.81Å; L967-L972 HydrophobicContact CB-CG 3.76Å; L967-L972 HydrophobicContact CD1-CD2 4.08Å; L967-L972 WeakPolarHBondContact O-CD1 3.34Å; C968-L972 WeakPolarHBondContact O-CG 3.47Å; C968-L972 PolarHBondContact O-N 2.78Å; V969-L972 PolarHBondContact O-N 3.31Å; V969-L972 VanDerWaalsContact O-N 3.09Å; L972-V974 VanDerWaalsContact C-N 3.31Å |
| 973 | V | 78.1 | Confident | 80.4 | Confident | 120 Ų | 120 | 83 Ų | 83 | 73% | 0.727 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -85.5 | -6.3 | 177 | 177.4 | 0 | 0 | 0 | 0 | 112 | V969 | V969-V973 WeakPolarHBondContact O-CG2 3.35Å; V969-V973 PolarHBondContact O-N 3.26Å |
| 974 | V | 62.5 | Low | 80.2 | Confident | 123 Ų | 123 | 88.7 Ų | 88.7 | 75% | 0.745 | 51% | 0.512 | S | S | * | . | | | trans | -120.3 | 36.8 | -177.8 | -168.4 | 0 | 0 | 0 | 0 | 110.4 | S970 L972 | S970-V974 WeakPolarHBondContact O-CG2 3.29Å; L972-V974 VanDerWaalsContact C-N 3.31Å |
| 975 | Q | 54 | Low | 80.1 | Confident | 206 Ų | 206 | 84.3 Ų | 84.3 | 96% | 0.963 | 48% | 0.477 | S | S | * | . | | | trans | -126.1 | 0 | 170.5 | -75.5 | -158.9 | -53.8 | 0 | 0 | 110.9 | | |