| 1 | M | 52.5 | Low | 52.7 | Low | 250 Ų | 250 | 145 Ų | 145 | 100% | 1.232 | 88% | 0.878 | S | S | * | * | | | | 0 | 102.2 | 0 | -72.6 | -69.6 | -78.8 | 0 | 0 | 107.4 | | |
| 2 | G | 49.5 | Very low | 52.4 | Low | 77 Ų | 77 | 140.8 Ų | 140.8 | 79% | 0.794 | 87% | 0.871 | S | S | * | * | | | trans | 172.7 | 77.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 3 | T | 50.2 | Low | 52.3 | Low | 140 Ų | 140 | 142.2 Ų | 142.2 | 86% | 0.859 | 87% | 0.869 | S | S | * | * | | | trans | -78 | 114.9 | 175.7 | 43.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 4 | S | 56.3 | Low | 51.9 | Low | 117 Ų | 117 | 138.6 Ų | 138.6 | 82% | 0.818 | 86% | 0.861 | S | S | * | * | | | trans | -99 | 102.4 | 167.7 | 54.3 | 0 | 0 | 0 | 0 | 109.3 | S6 | S4-S6 PolarHBondContact O-N 3.43Š|
| 5 | E | 53.1 | Low | 52.2 | Low | 191 Ų | 191 | 142 Ų | 142 | 89% | 0.893 | 86% | 0.858 | S | S | * | * | | | trans | -65 | 118.7 | 167.6 | -63 | 176 | 136.1 | 0 | 0 | 109.4 | | |
| 6 | S | 59.1 | Low | 52.5 | Low | 118 Ų | 118 | 140.8 Ų | 140.8 | 83% | 0.825 | 85% | 0.854 | S | S | * | * | | | trans | -116.1 | 88.8 | 170.9 | -172.7 | 0 | 0 | 0 | 0 | 110.2 | S4 | S4-S6 PolarHBondContact O-N 3.43Š|
| 7 | K | 65.9 | Low | 52.7 | Low | 195 Ų | 195 | 143.5 Ų | 143.5 | 85% | 0.848 | 86% | 0.855 | S | S | * | * | | | trans | 30.4 | 98.4 | 138.6 | -155.7 | 167 | -174.6 | 173.6 | 0 | 116.9 | A9 | K7-A9 PolarHBondContact O-N 3.39Š|
| 8 | M | 46.9 | Very low | 52.9 | Low | 193 Ų | 193 | 141.5 Ų | 141.5 | 95% | 0.951 | 85% | 0.847 | S | S | * | * | | | trans | -61 | 115.9 | 157 | -67.8 | -95.5 | -177 | 0 | 0 | 108.9 | | |
| 9 | A | 47.9 | Very low | 53.3 | Low | 96 Ų | 96 | 138.4 Ų | 138.4 | 79% | 0.793 | 84% | 0.838 | S | S | * | * | | | trans | -89 | 134.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | K7 | K7-A9 PolarHBondContact O-N 3.39Š|
| 10 | A | 47.1 | Very low | 53.7 | Low | 98 Ų | 98 | 138.8 Ų | 138.8 | 81% | 0.81 | 83% | 0.834 | S | S | * | * | | | trans | -54.4 | 147.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | A12 | A10-A12 PolarHBondContact O-N 3.49Å; A10-A12 VanDerWaalsContact O-N 3.16Å |
| 11 | S | 50.8 | Low | 54.3 | Low | 120 Ų | 120 | 140.4 Ų | 140.4 | 84% | 0.839 | 83% | 0.83 | S | S | * | * | | | trans | -53.3 | 114.5 | 172.1 | 62.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 12 | A | 49.1 | Very low | 54.7 | Low | 95 Ų | 95 | 137 Ų | 137 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | trans | -71.9 | 127.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | A10 A14 | A10-A12 PolarHBondContact O-N 3.49Å; A10-A12 VanDerWaalsContact O-N 3.16Å; A12-A14 PolarHBondContact O-N 3.28Å; A12-A14 VanDerWaalsContact O-N 3.09Å |
| 13 | D | 51.1 | Low | 55.3 | Low | 159 Ų | 159 | 137.7 Ų | 137.7 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | | | trans | -40.9 | 104.2 | 174.5 | -149.9 | -2.9 | 0 | 0 | 0 | 112 | K15 | D13-K15 PolarHBondContact O-N 3.27Š|
| 14 | A | 47.7 | Very low | 55.9 | Low | 91 Ų | 91 | 138.9 Ų | 138.9 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | | | trans | -78 | 90.8 | 178 | 0 | 0 | 0 | 0 | 0 | 108.9 | A12 | A12-A14 PolarHBondContact O-N 3.28Å; A12-A14 VanDerWaalsContact O-N 3.09Å |
| 15 | K | 56.4 | Low | 56.2 | Low | 190 Ų | 190 | 138 Ų | 138 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | | | trans | -51.5 | 125.3 | 164.7 | -92.9 | 175.3 | 177.5 | 172.2 | 0 | 109.2 | D13 Q17 | D13-K15 PolarHBondContact O-N 3.27Å; K15-Q17 PolarHBondContact O-N 3.13Å |
| 16 | P | 56.6 | Low | 56.6 | Low | 122 Ų | 122 | 133.4 Ų | 133.4 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | | | trans | -65.6 | 111.4 | 175.3 | 25.4 | -31 | 0 | 0 | 0 | 108.6 | P18 | P16-P18 WeakPolarHBondContact O-CD 3.21Š|
| 17 | Q | 56.5 | Low | 56.8 | Low | 187 Ų | 187 | 135.1 Ų | 135.1 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | | | trans | -62.2 | 122.7 | 170.4 | -145.7 | -176.6 | 35.9 | 0 | 0 | 107.3 | K15 A19 | K15-Q17 PolarHBondContact O-N 3.13Å; Q17-A19 PolarHBondContact O-N 3.42Å |
| 18 | P | 55.8 | Low | 56.9 | Low | 108 Ų | 108 | 132.4 Ų | 132.4 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | | | trans | -66.2 | 111.1 | 179.3 | 24.1 | -30.2 | 0 | 0 | 0 | 108.3 | P16 I20 | P16-P18 WeakPolarHBondContact O-CD 3.21Å; P18-I20 VanDerWaalsContact C-N 3.32Å; P18-I20 PolarHBondContact O-N 3.21Å |
| 19 | A | 60.5 | Low | 58 | Low | 83 Ų | 83 | 130.4 Ų | 130.4 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | | | trans | -63 | 96.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | Q17 K21 | Q17-A19 PolarHBondContact O-N 3.42Å; A19-K21 PolarHBondContact O-N 3.14Å |
| 20 | I | 61.9 | Low | 59.3 | Low | 146 Ų | 146 | 129.3 Ų | 129.3 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | | | trans | -66.8 | 90.2 | 173.1 | -60.7 | 169.4 | 0 | 0 | 0 | 106.5 | P18 K22 | P18-I20 VanDerWaalsContact C-N 3.32Å; P18-I20 PolarHBondContact O-N 3.21Å; I20-K22 PolarHBondContact O-N 3.27Å; I20-K22 VanDerWaalsContact O-N 3.09Å |
| 21 | K | 65.7 | Low | 60.5 | Low | 172 Ų | 172 | 130.5 Ų | 130.5 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | | | trans | -64.7 | 108.9 | 172.8 | -64.1 | -179.6 | -177.4 | 179.1 | 0 | 106.7 | A19 T23 | A19-K21 PolarHBondContact O-N 3.14Å; K21-T23 HydrophobicContact CB-CG2 4.26Å; K21-T23 PolarHBondContact O-N 3.48Å; K21-T23 PolarHBondContact O-OG1 3.36Å |
| 22 | K | 60.6 | Low | 61.6 | Low | 179 Ų | 179 | 135.4 Ų | 135.4 | 78% | 0.778 | 73% | 0.732 | S | S | * | * | | | trans | -73.1 | 65 | 174.8 | -64.2 | 179.7 | -179.8 | 176.8 | 0 | 110 | I20 H24 | I20-K22 PolarHBondContact O-N 3.27Å; I20-K22 VanDerWaalsContact O-N 3.09Å; K22-H24 VanDerWaalsContact C-N 3.33Å |
| 23 | T | 63 | Low | 62.6 | Low | 91 Ų | 91 | 134 Ų | 134 | 56% | 0.558 | 72% | 0.716 | S | S | * | * | | | trans | -82.8 | -9.2 | 177.3 | 42.1 | 0 | 0 | 0 | 0 | 113.2 | K21 S26 | K21-T23 HydrophobicContact CB-CG2 4.26Å; K21-T23 PolarHBondContact O-N 3.48Å; K21-T23 PolarHBondContact O-OG1 3.36Å; T23-S26 PolarHBondContact O-OG 3.38Å |
| 24 | H | 61.5 | Low | 63.6 | Low | 166 Ų | 166 | 132.2 Ų | 132.2 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -82.6 | -8.8 | -176.8 | -89.9 | -87.5 | 0 | 0 | 0 | 115.5 | K22 | K22-H24 VanDerWaalsContact C-N 3.33Š|
| 25 | V | 62.6 | Low | 64.7 | Low | 97 Ų | 97 | 132 Ų | 132 | 59% | 0.588 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -91.1 | -18.4 | -174.9 | -170.2 | 0 | 0 | 0 | 0 | 112.7 | H27 L28 | V25-H27 PolarHBondContact O-N 3.48Å; V25-L28 HydrophobicContact CG1-CD1 4.43Å; V25-L28 PolarHBondContact O-N 3.03Å |
| 26 | S | 62.4 | Low | 65 | Low | 96 Ų | 96 | 128.5 Ų | 128.5 | 67% | 0.671 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -11.7 | -179.8 | 52.3 | 0 | 0 | 0 | 0 | 114.4 | T23 | T23-S26 PolarHBondContact O-OG 3.38Š|
| 27 | H | 61.7 | Low | 65.3 | Low | 154 Ų | 154 | 125.8 Ų | 125.8 | 71% | 0.713 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -1.4 | 178.7 | -63.7 | -67.4 | 0 | 0 | 0 | 113.7 | V25 I29 | V25-H27 PolarHBondContact O-N 3.48Å; H27-I29 PolarHBondContact O-N 3.09Å |
| 28 | L | 69.2 | Low | 65.9 | Low | 138 Ų | 138 | 122.3 Ų | 122.3 | 72% | 0.723 | 69% | 0.693 | S | S | * | * | | | trans | -76.5 | 82.8 | 170.3 | -78.2 | 162.7 | 0 | 0 | 0 | 108.4 | V25 D30 | V25-L28 HydrophobicContact CG1-CD1 4.43Å; V25-L28 PolarHBondContact O-N 3.03Å; L28-D30 PolarHBondContact O-N 3.48Å |
| 29 | I | 70.4 | Confident | 66.3 | Low | 150 Ų | 150 | 124.8 Ų | 124.8 | 77% | 0.769 | 70% | 0.701 | S | S | * | * | | | trans | -66.1 | 102.1 | 166.1 | -62.4 | 160.6 | 0 | 0 | 0 | 105.6 | H27 P31 | H27-I29 PolarHBondContact O-N 3.09Å; I29-P31 VanDerWaalsContact O-CD 3.22Å; I29-P31 WeakPolarHBondContact O-CD 3.28Å |
| 30 | D | 75.3 | Confident | 66.9 | Low | 74 Ų | 74 | 131 Ų | 131 | 40% | 0.396 | 71% | 0.706 | S | S | . | * | | | trans | -63.5 | 113.7 | 171.2 | 171.3 | 18.7 | 0 | 0 | 0 | 108.2 | L28 R32 S33 | L28-D30 PolarHBondContact O-N 3.48Å; D30-R32 PolarHBondContact O-N 3.17Å; D30-R32 WeakPolarHBondContact OD1-CB 3.22Å; D30-R32 PolarHBondContact OD1-N 3.16Å; D30-S33 PolarHBondContact O-N 2.83Å; D30-S33 PolarHBondContact OD2-N 3.05Å; D30-S33 PolarHBondContact OD2-OG 3.2Å |
| 31 | P | 71.5 | Confident | 67.4 | Low | 123 Ų | 123 | 129.8 Ų | 129.8 | 80% | 0.799 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -9.9 | -178.8 | 29.2 | -36 | 0 | 0 | 0 | 112.7 | I29 | I29-P31 VanDerWaalsContact O-CD 3.22Å; I29-P31 WeakPolarHBondContact O-CD 3.28Å |
| 32 | R | 74.8 | Confident | 67.7 | Low | 223 Ų | 223 | 127.2 Ų | 127.2 | 84% | 0.842 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -9.8 | 176.2 | -55.7 | -179 | -174.1 | 177.8 | 2.7 | 113 | D30 | D30-R32 PolarHBondContact O-N 3.17Å; D30-R32 WeakPolarHBondContact OD1-CB 3.22Å; D30-R32 PolarHBondContact OD1-N 3.16Å |
| 33 | S | 70.1 | Confident | 68.1 | Low | 65 Ų | 65 | 126 Ų | 126 | 46% | 0.455 | 71% | 0.707 | S | S | . | * | S | Bend | trans | -83.9 | 124.3 | 176.4 | -74.5 | 0 | 0 | 0 | 0 | 109 | D30 S35 | D30-S33 PolarHBondContact O-N 2.83Å; D30-S33 PolarHBondContact OD2-N 3.05Å; D30-S33 PolarHBondContact OD2-OG 3.2Å; S33-S35 PolarHBondContact O-N 3.21Å; S33-S35 VanDerWaalsContact O-N 3.13Å |
| 34 | P | 71.5 | Confident | 68.2 | Low | 121 Ų | 121 | 130.5 Ų | 130.5 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | | | trans | -59.6 | 122.2 | 175.4 | 24.3 | -31.5 | 0 | 0 | 0 | 108.4 | A36 | P34-A36 PolarHBondContact O-N 3.05Š|
| 35 | S | 70.7 | Confident | 68.2 | Low | 88 Ų | 88 | 128.6 Ų | 128.6 | 62% | 0.615 | 72% | 0.722 | S | S | * | * | | | trans | -53.4 | 108.1 | 180 | -57.3 | 0 | 0 | 0 | 0 | 110 | S33 G37 | S33-S35 PolarHBondContact O-N 3.21Å; S33-S35 VanDerWaalsContact O-N 3.13Å; S35-G37 PolarHBondContact O-N 3.05Å |
| 36 | A | 62.8 | Low | 67.6 | Low | 115 Ų | 115 | 129.2 Ų | 129.2 | 95% | 0.95 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 21.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | P34 | P34-A36 PolarHBondContact O-N 3.05Š|
| 37 | G | 63.8 | Low | 67 | Low | 66 Ų | 66 | 127.5 Ų | 127.5 | 68% | 0.68 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.4 | 13.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | S35 D39 | S35-G37 PolarHBondContact O-N 3.05Å; G37-D39 PolarHBondContact O-N 3.26Å |
| 38 | I | 69.1 | Low | 66.4 | Low | 113 Ų | 113 | 128.8 Ų | 128.8 | 58% | 0.579 | 73% | 0.73 | S | S | * | * | | | trans | -84.2 | 105.2 | 170 | -49.6 | 175.4 | 0 | 0 | 0 | 106.7 | R40 | I38-R40 HydrophobicContact CG2-CG 4.19Å; I38-R40 PolarHBondContact O-N 3.28Å |
| 39 | D | 63.3 | Low | 65.3 | Low | 161 Ų | 161 | 131.2 Ų | 131.2 | 86% | 0.861 | 74% | 0.738 | S | S | * | * | | | trans | -61.5 | 87 | 164.7 | -84.2 | -23 | 0 | 0 | 0 | 108 | G37 T41 | G37-D39 PolarHBondContact O-N 3.26Å; D39-T41 PolarHBondContact O-N 2.78Å |
| 40 | R | 72.9 | Confident | 64.2 | Low | 212 Ų | 212 | 129.4 Ų | 129.4 | 80% | 0.8 | 74% | 0.738 | S | S | * | * | | | trans | -69.5 | 106.5 | 172.1 | -70.3 | -177.1 | 174.1 | 160.1 | -0.5 | 106.1 | I38 | I38-R40 HydrophobicContact CG2-CG 4.19Å; I38-R40 PolarHBondContact O-N 3.28Å |
| 41 | T | 73.6 | Confident | 63 | Low | 121 Ų | 121 | 132.6 Ų | 132.6 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | | | trans | -49.4 | 126.1 | 168 | 44.8 | 0 | 0 | 0 | 0 | 107.6 | D39 I43 | D39-T41 PolarHBondContact O-N 2.78Å; T41-I43 PolarHBondContact O-N 3.17Å |
| 42 | P | 71.2 | Confident | 61.5 | Low | 119 Ų | 119 | 132.3 Ų | 132.3 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | | | trans | -56.2 | 122.9 | 179.9 | 19 | -28.6 | 0 | 0 | 0 | 107.6 | Q44 | P42-Q44 PolarHBondContact O-N 2.97Š|
| 43 | I | 69.6 | Low | 60.4 | Low | 152 Ų | 152 | 126.4 Ų | 126.4 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | | | trans | -58.6 | 108.2 | 175.6 | -62.7 | 171 | 0 | 0 | 0 | 105.3 | T41 V45 | T41-I43 PolarHBondContact O-N 3.17Å; I43-V45 HydrophobicContact CG2-CG2 4.14Å; I43-V45 PolarHBondContact O-N 3.39Å |
| 44 | Q | 64.6 | Low | 59.1 | Low | 186 Ų | 186 | 127.5 Ų | 127.5 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | | | trans | -67.3 | 88.6 | 168 | -75.3 | 179.8 | -9.3 | 0 | 0 | 106.3 | P42 C46 | P42-Q44 PolarHBondContact O-N 2.97Å; Q44-C46 VanDerWaalsContact C-N 3.31Å; Q44-C46 PolarHBondContact O-N 3.19Å |
| 45 | V | 62.3 | Low | 58.2 | Low | 126 Ų | 126 | 126.9 Ų | 126.9 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | | | trans | -62.7 | 104.3 | 163.5 | -179.7 | 0 | 0 | 0 | 0 | 104.4 | I43 G47 | I43-V45 HydrophobicContact CG2-CG2 4.14Å; I43-V45 PolarHBondContact O-N 3.39Å; V45-G47 PolarHBondContact O-N 3Å |
| 46 | C | 49.8 | Very low | 56.9 | Low | 110 Ų | 110 | 128.5 Ų | 128.5 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | | | trans | -62.3 | 85 | 175.1 | -174.3 | 0 | 0 | 0 | 0 | 108 | Q44 K48 | Q44-C46 VanDerWaalsContact C-N 3.31Å; Q44-C46 PolarHBondContact O-N 3.19Å; C46-K48 PolarHBondContact O-N 2.89Å |
| 47 | G | 48.2 | Very low | 56.4 | Low | 60 Ų | 60 | 133.3 Ų | 133.3 | 62% | 0.619 | 78% | 0.784 | S | S | * | * | | | trans | -64.4 | 101.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | V45 E49 | V45-G47 PolarHBondContact O-N 3Å; G47-E49 VanDerWaalsContact C-N 3.31Å; G47-E49 PolarHBondContact O-N 3.17Å |
| 48 | K | 49.2 | Very low | 55.5 | Low | 182 Ų | 182 | 135.1 Ų | 135.1 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | | | trans | -63.4 | 99.6 | 165.4 | -69.1 | 179.6 | 178.2 | 180 | 0 | 106.7 | C46 S50 | C46-K48 PolarHBondContact O-N 2.89Å; K48-S50 VanDerWaalsContact C-N 3.31Å; K48-S50 PolarHBondContact O-N 2.91Å |
| 49 | E | 46.2 | Very low | 54.5 | Low | 188 Ų | 188 | 138.7 Ų | 138.7 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | | | trans | -66.4 | 95.7 | 164.3 | -71.8 | 178.8 | 172.3 | 0 | 0 | 107.6 | G47 T51 | G47-E49 VanDerWaalsContact C-N 3.31Å; G47-E49 PolarHBondContact O-N 3.17Å; E49-T51 PolarHBondContact O-N 3.01Å |
| 50 | S | 48.3 | Very low | 53.5 | Low | 112 Ų | 112 | 135.1 Ų | 135.1 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | | | trans | -77.1 | 93.9 | 168.3 | -52.4 | 0 | 0 | 0 | 0 | 108.2 | K48 S52 | K48-S50 VanDerWaalsContact C-N 3.31Å; K48-S50 PolarHBondContact O-N 2.91Å; S50-S52 PolarHBondContact O-N 3.07Å |
| 51 | T | 50.5 | Low | 52.5 | Low | 142 Ų | 142 | 131 Ų | 131 | 87% | 0.871 | 79% | 0.788 | S | S | * | * | | | trans | -60.3 | 113.1 | 155.7 | 33.2 | 0 | 0 | 0 | 0 | 109.3 | E49 | E49-T51 PolarHBondContact O-N 3.01Š|
| 52 | S | 39.8 | Very low | 51.6 | Low | 116 Ų | 116 | 131.9 Ų | 131.9 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | | | trans | -169.1 | 122.1 | 143 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | S50 | S50-S52 PolarHBondContact O-N 3.07Š|
| 53 | A | 50.9 | Low | 51 | Low | 99 Ų | 99 | 130 Ų | 130 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -71 | 125.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 54 | A | 43.5 | Very low | 50.5 | Low | 88 Ų | 88 | 128.2 Ų | 128.2 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | trans | -174.7 | 127.4 | 141 | 0 | 0 | 0 | 0 | 0 | 109.1 | V56 | A54-V56 PolarHBondContact O-N 3.2Š|
| 55 | A | 51 | Low | 50.2 | Low | 109 Ų | 109 | 126.1 Ų | 126.1 | 90% | 0.901 | 77% | 0.773 | S | S | * | * | | | trans | -57.9 | 105.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 56 | V | 45.4 | Very low | 50.4 | Low | 122 Ų | 122 | 123.7 Ų | 123.7 | 74% | 0.739 | 76% | 0.755 | S | S | * | * | | | trans | -136.2 | 124.8 | 157.3 | -178.7 | 0 | 0 | 0 | 0 | 106.6 | A54 S58 | A54-V56 PolarHBondContact O-N 3.2Å; V56-S58 VanDerWaalsContact C-N 3.32Å; V56-S58 PolarHBondContact O-N 2.9Å |
| 57 | K | 51.5 | Low | 51.3 | Low | 216 Ų | 216 | 124.6 Ų | 124.6 | 94% | 0.939 | 76% | 0.76 | S | S | * | * | | | trans | -55.4 | 94.4 | 173.5 | -63.5 | 173.8 | 178.4 | 177.1 | 0 | 108.4 | | |
| 58 | S | 44 | Very low | 52.3 | Low | 104 Ų | 104 | 132.6 Ų | 132.6 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | trans | -104.9 | 115 | 170.5 | 57.1 | 0 | 0 | 0 | 0 | 108.3 | V56 C60 | V56-S58 VanDerWaalsContact C-N 3.32Å; V56-S58 PolarHBondContact O-N 2.9Å; S58-C60 PolarHBondContact O-N 3.05Å |
| 59 | E | 48.3 | Very low | 53.1 | Low | 187 Ų | 187 | 126.2 Ų | 126.2 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | | | trans | -41 | 117.8 | 162.3 | -172.3 | 168.2 | -165.3 | 0 | 0 | 109.4 | P61 | E59-P61 WeakPolarHBondContact O-CD 3.3Š|
| 60 | C | 42.3 | Very low | 54.1 | Low | 87 Ų | 87 | 123 Ų | 123 | 59% | 0.588 | 75% | 0.745 | S | S | * | * | | | trans | -66 | 117.1 | -177.6 | -170.3 | 0 | 0 | 0 | 0 | 108.3 | S58 L62 | S58-C60 PolarHBondContact O-N 3.05Å; C60-L62 HydrophobicContact CB-CG 4.26Å; C60-L62 PolarHBondContact O-N 2.91Å |
| 61 | P | 53.2 | Low | 55.3 | Low | 125 Ų | 125 | 122 Ų | 122 | 81% | 0.812 | 73% | 0.734 | S | S | * | * | | | trans | -73.4 | 78.4 | 168.5 | 30.1 | -30.2 | 0 | 0 | 0 | 107.4 | E59 A63 | E59-P61 WeakPolarHBondContact O-CD 3.3Å; P61-A63 PolarHBondContact O-N 3.29Å; P61-A63 VanDerWaalsContact O-N 3.17Å |
| 62 | L | 53.7 | Low | 56 | Low | 139 Ų | 139 | 125.3 Ų | 125.3 | 73% | 0.728 | 74% | 0.737 | S | S | * | * | | | trans | -62.2 | 118.7 | 173.4 | -77.5 | 171.7 | 0 | 0 | 0 | 107.8 | C60 V64 | C60-L62 HydrophobicContact CB-CG 4.26Å; C60-L62 PolarHBondContact O-N 2.91Å; L62-V64 PolarHBondContact O-N 3.14Å |
| 63 | A | 58.8 | Low | 57.3 | Low | 80 Ų | 80 | 123.2 Ų | 123.2 | 66% | 0.661 | 73% | 0.734 | S | S | * | * | | | trans | -45.6 | 99.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P61 N65 | P61-A63 PolarHBondContact O-N 3.29Å; P61-A63 VanDerWaalsContact O-N 3.17Å; A63-N65 HydrophobicContact CB-CB 4.47Å; A63-N65 PolarHBondContact O-N 3.32Å |
| 64 | V | 58.4 | Low | 57.9 | Low | 115 Ų | 115 | 123.9 Ų | 123.9 | 70% | 0.697 | 72% | 0.722 | S | S | * | * | | | trans | -74.7 | 59.3 | 160.8 | -170.3 | 0 | 0 | 0 | 0 | 108.1 | L62 D66 | L62-V64 PolarHBondContact O-N 3.14Å; V64-D66 VanDerWaalsContact C-N 3.33Å |
| 65 | N | 58.5 | Low | 58.8 | Low | 141 Ų | 141 | 126 Ų | 126 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | | | trans | -102.1 | 41.5 | 173.6 | -82.5 | -65.2 | 0 | 0 | 0 | 109.9 | A63 P67 | A63-N65 HydrophobicContact CB-CB 4.47Å; A63-N65 PolarHBondContact O-N 3.32Å; N65-P67 WeakPolarHBondContact O-CD 3.34Å |
| 66 | D | 66.9 | Low | 59.7 | Low | 75 Ų | 75 | 131.3 Ų | 131.3 | 40% | 0.401 | 72% | 0.723 | S | S | . | * | | | trans | -88.3 | 109.6 | 159.2 | 174.6 | 17.2 | 0 | 0 | 0 | 107.8 | V64 R68 S69 | V64-D66 VanDerWaalsContact C-N 3.33Å; D66-R68 PolarHBondContact O-N 3.22Å; D66-R68 WeakPolarHBondContact OD1-CB 3.4Å; D66-R68 PolarHBondContact OD1-N 3.32Å; D66-S69 WeakPolarHBondContact CB-OG 3.37Å; D66-S69 WeakPolarHBondContact O-CB 3.49Å; D66-S69 PolarHBondContact O-N 3.3Å; D66-S69 PolarHBondContact OD2-N 2.95Å; D66-S69 PolarHBondContact OD2-OG 3.05Å |
| 67 | P | 67.8 | Low | 60.9 | Low | 129 Ų | 129 | 131.5 Ų | 131.5 | 84% | 0.838 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -8.6 | 178.7 | 27.7 | -35.3 | 0 | 0 | 0 | 113.2 | N65 | N65-P67 WeakPolarHBondContact O-CD 3.34Š|
| 68 | R | 69.8 | Low | 61.6 | Low | 229 Ų | 229 | 126.4 Ų | 126.4 | 86% | 0.864 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | -9.3 | 175.4 | -57.9 | 179.7 | -179.8 | 170.7 | 1.5 | 113.2 | D66 | D66-R68 PolarHBondContact O-N 3.22Å; D66-R68 WeakPolarHBondContact OD1-CB 3.4Å; D66-R68 PolarHBondContact OD1-N 3.32Å |
| 69 | S | 66.4 | Low | 62.8 | Low | 48 Ų | 48 | 125.7 Ų | 125.7 | 34% | 0.336 | 71% | 0.705 | S | S | . | * | S | Bend | trans | -81.6 | 129.1 | 177.9 | -75 | 0 | 0 | 0 | 0 | 109.6 | D66 T71 | D66-S69 WeakPolarHBondContact CB-OG 3.37Å; D66-S69 WeakPolarHBondContact O-CB 3.49Å; D66-S69 PolarHBondContact O-N 3.3Å; D66-S69 PolarHBondContact OD2-N 2.95Å; D66-S69 PolarHBondContact OD2-OG 3.05Å; S69-T71 PolarHBondContact O-N 2.72Å; S69-T71 VanDerWaalsContact O-N 3.13Å |
| 70 | P | 67.3 | Low | 64.2 | Low | 119 Ų | 119 | 126.2 Ų | 126.2 | 77% | 0.773 | 70% | 0.699 | S | S | * | * | | | trans | -58.3 | 122.8 | 176.9 | 23.2 | -30.9 | 0 | 0 | 0 | 108.6 | F72 | P70-F72 PolarHBondContact O-N 3.36Š|
| 71 | T | 72.7 | Confident | 65.6 | Low | 91 Ų | 91 | 129.9 Ų | 129.9 | 56% | 0.558 | 71% | 0.707 | S | S | * | * | | | trans | -58.8 | 113.5 | -178.7 | -47.7 | 0 | 0 | 0 | 0 | 109.2 | S69 G73 I74 | S69-T71 PolarHBondContact O-N 2.72Å; S69-T71 VanDerWaalsContact O-N 3.13Å; T71-G73 PolarHBondContact O-N 2.93Å; T71-I74 HydrophobicContact CG2-CD1 3.72Å; T71-I74 HydrophobicContact CG2-CG1 3.84Å; T71-I74 PolarHBondContact O-N 3Å |
| 72 | F | 64.8 | Low | 66.3 | Low | 213 Ų | 213 | 130.5 Ų | 130.5 | 93% | 0.934 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | 121.9 | 176.6 | -151.5 | -93.2 | 0 | 0 | 0 | 108.3 | P70 | P70-F72 PolarHBondContact O-N 3.36Š|
| 73 | G | 67.6 | Low | 67.1 | Low | 72 Ų | 72 | 129.2 Ų | 129.2 | 74% | 0.742 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98.8 | -7.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | T71 T75 | T71-G73 PolarHBondContact O-N 2.93Å; G73-T75 PolarHBondContact O-N 2.96Å |
| 74 | I | 63.2 | Low | 67.9 | Low | 112 Ų | 112 | 133.6 Ų | 133.6 | 57% | 0.574 | 69% | 0.693 | S | S | * | * | | | trans | -90.8 | 82.3 | 165.5 | -53.2 | -177.1 | 0 | 0 | 0 | 108.2 | T71 R76 | T71-I74 HydrophobicContact CG2-CD1 3.72Å; T71-I74 HydrophobicContact CG2-CG1 3.84Å; T71-I74 PolarHBondContact O-N 3Å; I74-R76 VanDerWaalsContact C-N 3.28Å; I74-R76 PolarHBondContact O-N 2.9Å |
| 75 | T | 63.8 | Low | 68.6 | Low | 133 Ų | 133 | 131.3 Ų | 131.3 | 82% | 0.816 | 69% | 0.686 | S | S | * | * | | | trans | -63.1 | 97.1 | 158.7 | 31.4 | 0 | 0 | 0 | 0 | 107.2 | G73 T77 | G73-T75 PolarHBondContact O-N 2.96Å; T75-T77 PolarHBondContact O-N 3.13Å; T75-T77 VanDerWaalsContact O-N 3.08Å |
| 76 | R | 70.3 | Confident | 69.4 | Low | 220 Ų | 220 | 128.6 Ų | 128.6 | 83% | 0.83 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 122.8 | 170.5 | -60.2 | -177 | 96.1 | -179.9 | 7.3 | 106.2 | I74 | I74-R76 VanDerWaalsContact C-N 3.28Å; I74-R76 PolarHBondContact O-N 2.9Å |
| 77 | T | 69.2 | Low | 70 | Confident | 126 Ų | 126 | 129.2 Ų | 129.2 | 77% | 0.773 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 120.4 | 179.1 | 19.4 | 0 | 0 | 0 | 0 | 107.8 | T75 V79 | T75-T77 PolarHBondContact O-N 3.13Å; T75-T77 VanDerWaalsContact O-N 3.08Å; T77-V79 PolarHBondContact O-N 3.08Å |
| 78 | P | 66.9 | Low | 70.8 | Confident | 109 Ų | 109 | 125 Ų | 125 | 71% | 0.708 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 123.6 | -177.5 | 19.3 | -29.8 | 0 | 0 | 0 | 107.3 | R80 | P78-R80 PolarHBondContact O-N 3.04Š|
| 79 | V | 69.8 | Low | 71.5 | Confident | 89 Ų | 89 | 117 Ų | 117 | 54% | 0.539 | 64% | 0.641 | S | S | . | * | P | Polyproline II helix | trans | -50.5 | 120.8 | 175.3 | 166.6 | 0 | 0 | 0 | 0 | 106.7 | T77 E81 M83 | T77-V79 PolarHBondContact O-N 3.08Å; V79-E81 PolarHBondContact O-N 3.16Å; V79-M83 HydrophobicContact CG1-CB 3.6Å |
| 80 | R | 77.5 | Confident | 72.6 | Confident | 199 Ų | 199 | 120.8 Ų | 120.8 | 75% | 0.751 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 133.8 | -178.9 | -68.8 | 179.4 | 177 | 160.3 | -1.9 | 108.4 | P78 I82 M83 R84 | P78-R80 PolarHBondContact O-N 3.04Å; R80-I82 PolarHBondContact O-N 3.2Å; R80-M83 WeakPolarHBondContact O-CA 3.4Å; R80-M83 WeakPolarHBondContact O-CB 3.42Å; R80-M83 PolarHBondContact O-N 2.81Å; R80-R84 PolarHBondContact O-N 3.02Å |
| 81 | E | 71.2 | Confident | 73.6 | Confident | 164 Ų | 164 | 119.2 Ų | 119.2 | 77% | 0.766 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -53.4 | -31.9 | -173 | -167.8 | 166.4 | -164.7 | 0 | 0 | 113.1 | V79 M83 R84 A85 | V79-E81 PolarHBondContact O-N 3.16Å; E81-M83 PolarHBondContact O-N 3.32Å; E81-R84 WeakPolarHBondContact O-CB 3.35Å; E81-R84 PolarHBondContact O-N 2.94Å; E81-R84 VanDerWaalsContact O-N 3.14Å; E81-A85 PolarHBondContact O-N 3.03Å |
| 82 | I | 68.6 | Low | 74.3 | Confident | 137 Ų | 137 | 123.7 Ų | 123.7 | 70% | 0.703 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -60.2 | -41.4 | 174.1 | -53.8 | 170.5 | 0 | 0 | 0 | 112 | R80 T86 | R80-I82 PolarHBondContact O-N 3.2Å; I82-T86 WeakPolarHBondContact O-CB 3.46Å; I82-T86 PolarHBondContact O-N 3.3Å; I82-T86 VanDerWaalsContact O-N 3.09Å; I82-T86 PolarHBondContact O-OG1 2.94Å |
| 83 | M | 69.4 | Low | 75.4 | Confident | 112 Ų | 112 | 122.8 Ų | 122.8 | 55% | 0.552 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -72.4 | -34.6 | 175.4 | -68.5 | -177.3 | 74.2 | 0 | 0 | 111.5 | V79 R80 E81 T86 V87 | V79-M83 HydrophobicContact CG1-CB 3.6Å; R80-M83 WeakPolarHBondContact O-CA 3.4Å; R80-M83 WeakPolarHBondContact O-CB 3.42Å; R80-M83 PolarHBondContact O-N 2.81Å; E81-M83 PolarHBondContact O-N 3.32Å; M83-T86 PolarHBondContact O-N 3.42Å; M83-V87 WeakPolarHBondContact O-CB 3.25Å; M83-V87 VanDerWaalsContact O-CG2 3.25Å; M83-V87 WeakPolarHBondContact O-CG2 3.4Å; M83-V87 PolarHBondContact O-N 2.96Å |
| 84 | R | 76.3 | Confident | 76.5 | Confident | 172 Ų | 172 | 122.3 Ų | 122.3 | 65% | 0.649 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -62.6 | -45.5 | 175.5 | -173.5 | -169.4 | -65.4 | -119.1 | 3.1 | 111.3 | R80 E81 G88 | R80-R84 PolarHBondContact O-N 3.02Å; E81-R84 WeakPolarHBondContact O-CB 3.35Å; E81-R84 PolarHBondContact O-N 2.94Å; E81-R84 VanDerWaalsContact O-N 3.14Å; R84-G88 PolarHBondContact O-N 3.39Å |
| 85 | A | 72.4 | Confident | 77.8 | Confident | 67 Ų | 67 | 118.4 Ų | 118.4 | 55% | 0.554 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64 | -43.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E81 S89 | E81-A85 PolarHBondContact O-N 3.03Å; A85-S89 VanDerWaalsContact O-CB 3.29Å; A85-S89 WeakPolarHBondContact O-CB 3.29Å; A85-S89 PolarHBondContact O-N 3.42Å; A85-S89 PolarHBondContact O-OG 2.73Å |
| 86 | T | 74.8 | Confident | 78.9 | Confident | 85 Ų | 85 | 117 Ų | 117 | 52% | 0.521 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.2 | -50.8 | -179.4 | -52.9 | 0 | 0 | 0 | 0 | 111.7 | I82 M83 S89 F90 | I82-T86 WeakPolarHBondContact O-CB 3.46Å; I82-T86 PolarHBondContact O-N 3.3Å; I82-T86 VanDerWaalsContact O-N 3.09Å; I82-T86 PolarHBondContact O-OG1 2.94Å; M83-T86 PolarHBondContact O-N 3.42Å; T86-S89 PolarHBondContact O-N 3.47Å; T86-S89 PolarHBondContact O-OG 2.9Å; T86-F90 PolarHBondContact O-N 3.01Å; T86-F90 VanDerWaalsContact O-N 3.11Å |
| 87 | V | 80.6 | Confident | 79.5 | Confident | 87 Ų | 87 | 111.6 Ų | 111.6 | 53% | 0.527 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.5 | -41.8 | 178.9 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | M83 S89 F90 T91 | M83-V87 WeakPolarHBondContact O-CB 3.25Å; M83-V87 VanDerWaalsContact O-CG2 3.25Å; M83-V87 WeakPolarHBondContact O-CG2 3.4Å; M83-V87 PolarHBondContact O-N 2.96Å; V87-S89 PolarHBondContact O-N 3.17Å; V87-F90 PolarHBondContact O-N 3.31Å; V87-T91 PolarHBondContact O-N 3.14Å; V87-T91 PolarHBondContact O-OG1 3.3Å; V87-T91 VanDerWaalsContact O-OG1 3.12Å |
| 88 | G | 84.3 | Confident | 80.2 | Confident | 40 Ų | 40 | 111.8 Ų | 111.8 | 41% | 0.412 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.7 | -42.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | R84 F90 T91 R92 | R84-G88 PolarHBondContact O-N 3.39Å; G88-F90 VanDerWaalsContact C-N 3.34Å; G88-F90 PolarHBondContact O-N 3.4Å; G88-T91 PolarHBondContact O-N 2.98Å; G88-R92 PolarHBondContact O-N 3.48Å |
| 89 | S | 85.2 | Confident | 80.4 | Confident | 62 Ų | 62 | 113.5 Ų | 113.5 | 43% | 0.434 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.4 | -38.3 | 177 | 76.8 | 0 | 0 | 0 | 0 | 112.5 | A85 T86 V87 R92 R93 | A85-S89 VanDerWaalsContact O-CB 3.29Å; A85-S89 WeakPolarHBondContact O-CB 3.29Å; A85-S89 PolarHBondContact O-N 3.42Å; A85-S89 PolarHBondContact O-OG 2.73Å; T86-S89 PolarHBondContact O-N 3.47Å; T86-S89 PolarHBondContact O-OG 2.9Å; V87-S89 PolarHBondContact O-N 3.17Å; S89-R92 PolarHBondContact O-N 2.88Å; S89-R93 PolarHBondContact O-N 3.14Å |
| 90 | F | 89.4 | Confident | 80.1 | Confident | 127 Ų | 127 | 115.1 Ų | 115.1 | 56% | 0.557 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.2 | -46.7 | 177.1 | 179.3 | -107 | 0 | 0 | 0 | 111.2 | T86 V87 G88 R92 R93 L94 | T86-F90 PolarHBondContact O-N 3.01Å; T86-F90 VanDerWaalsContact O-N 3.11Å; V87-F90 PolarHBondContact O-N 3.31Å; G88-F90 VanDerWaalsContact C-N 3.34Å; G88-F90 PolarHBondContact O-N 3.4Å; F90-R92 VanDerWaalsContact C-N 3.31Å; F90-R92 PolarHBondContact O-N 3.4Å; F90-R93 PolarHBondContact O-N 3.37Å; F90-L94 HydrophobicContact CD1-CD1 3.9Å; F90-L94 HydrophobicContact CD1-CG 4.48Å; F90-L94 HydrophobicContact CE1-CD1 3.35Å; F90-L94 HydrophobicContact CE1-CG 4.12Å; F90-L94 HydrophobicContact CE2-CD1 4.43Å; F90-L94 HydrophobicContact CE2-CG 4.39Å; F90-L94 HydrophobicContact CZ-CD1 3.66Å; F90-L94 HydrophobicContact CZ-CD2 4.27Å; F90-L94 HydrophobicContact CZ-CG 4.07Å; F90-L94 WeakPolarHBondContact O-CG 3.45Å; F90-L94 PolarHBondContact O-N 2.89Å |
| 91 | T | 87.9 | Confident | 79.3 | Confident | 87 Ų | 87 | 113.4 Ų | 113.4 | 53% | 0.534 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -60.1 | -40.6 | 175.2 | -56.9 | 0 | 0 | 0 | 0 | 111.8 | V87 G88 L94 G95 | V87-T91 PolarHBondContact O-N 3.14Å; V87-T91 PolarHBondContact O-OG1 3.3Å; V87-T91 VanDerWaalsContact O-OG1 3.12Å; G88-T91 PolarHBondContact O-N 2.98Å; T91-L94 PolarHBondContact O-N 2.75Å; T91-G95 PolarHBondContact O-N 3.38Å |
| 92 | R | 87.7 | Confident | 78.8 | Confident | 185 Ų | 185 | 109.6 Ų | 109.6 | 70% | 0.698 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.1 | -43.1 | 176.1 | -164.1 | -177.7 | -153.9 | -92 | 3.9 | 112.2 | G88 S89 F90 G95 M96 | G88-R92 PolarHBondContact O-N 3.48Å; S89-R92 PolarHBondContact O-N 2.88Å; F90-R92 VanDerWaalsContact C-N 3.31Å; F90-R92 PolarHBondContact O-N 3.4Å; R92-G95 PolarHBondContact O-N 3.21Å; R92-M96 PolarHBondContact O-N 3.29Å |
| 93 | R | 87.9 | Confident | 78.2 | Confident | 194 Ų | 194 | 111.2 Ų | 111.2 | 73% | 0.732 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63 | -41.6 | 175.8 | -79.7 | -176.9 | -179.4 | 177.5 | 1.8 | 112.2 | S89 F90 M96 L97 | S89-R93 PolarHBondContact O-N 3.14Å; F90-R93 PolarHBondContact O-N 3.37Å; R93-M96 PolarHBondContact O-N 2.88Å; R93-L97 PolarHBondContact O-N 2.79Å |
| 94 | L | 90.9 | Very high | 77.7 | Confident | 62 Ų | 62 | 109.4 Ų | 109.4 | 33% | 0.325 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.6 | -44.3 | 174.4 | -71.8 | 179.8 | 0 | 0 | 0 | 111.5 | F90 T91 M96 L97 F98 | F90-L94 HydrophobicContact CD1-CD1 3.9Å; F90-L94 HydrophobicContact CD1-CG 4.48Å; F90-L94 HydrophobicContact CE1-CD1 3.35Å; F90-L94 HydrophobicContact CE1-CG 4.12Å; F90-L94 HydrophobicContact CE2-CD1 4.43Å; F90-L94 HydrophobicContact CE2-CG 4.39Å; F90-L94 HydrophobicContact CZ-CD1 3.66Å; F90-L94 HydrophobicContact CZ-CD2 4.27Å; F90-L94 HydrophobicContact CZ-CG 4.07Å; F90-L94 WeakPolarHBondContact O-CG 3.45Å; F90-L94 PolarHBondContact O-N 2.89Å; T91-L94 PolarHBondContact O-N 2.75Å; L94-M96 VanDerWaalsContact C-N 3.29Å; L94-M96 PolarHBondContact O-N 2.8Å; L94-L97 PolarHBondContact O-N 3.05Å; L94-L97 VanDerWaalsContact O-N 3.11Å; L94-F98 HydrophobicContact CB-CD2 4.44Å; L94-F98 HydrophobicContact CB-CE2 4.23Å; L94-F98 HydrophobicContact CD2-CE2 4.22Å; L94-F98 WeakPolarHBondContact O-CD2 3.39Å; L94-F98 PolarHBondContact O-N 3.09Å |
| 95 | G | 90.4 | Very high | 76.7 | Confident | 30 Ų | 30 | 110.2 Ų | 110.2 | 31% | 0.309 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -55.3 | -45.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T91 R92 F98 H99 | T91-G95 PolarHBondContact O-N 3.38Å; R92-G95 PolarHBondContact O-N 3.21Å; G95-F98 PolarHBondContact O-N 2.8Å; G95-H99 WeakPolarHBondContact O-CB 3.49Å; G95-H99 PolarHBondContact O-N 2.82Å; G95-H99 PolarHBondContact O-ND1 2.97Å |
| 96 | M | 85.8 | Confident | 75.8 | Confident | 104 Ų | 104 | 112.8 Ų | 112.8 | 51% | 0.512 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.2 | -44.5 | 174.6 | -72.2 | 179.2 | 56.7 | 0 | 0 | 112.6 | R92 R93 L94 F98 H99 N100 | R92-M96 PolarHBondContact O-N 3.29Å; R93-M96 PolarHBondContact O-N 2.88Å; L94-M96 VanDerWaalsContact C-N 3.29Å; L94-M96 PolarHBondContact O-N 2.8Å; M96-F98 VanDerWaalsContact C-N 3.27Å; M96-F98 PolarHBondContact O-N 3.25Å; M96-H99 PolarHBondContact O-N 3.35Å; M96-N100 PolarHBondContact O-N 3.27Å; M96-N100 PolarHBondContact O-ND2 3.29Å |
| 97 | L | 84 | Confident | 75 | Confident | 106 Ų | 106 | 114.8 Ų | 114.8 | 56% | 0.555 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -58.5 | -40.5 | -179.6 | -173.5 | 63.4 | 0 | 0 | 0 | 111.8 | R93 L94 | R93-L97 PolarHBondContact O-N 2.79Å; L94-L97 PolarHBondContact O-N 3.05Å; L94-L97 VanDerWaalsContact O-N 3.11Å |
| 98 | F | 82.4 | Confident | 73.4 | Confident | 130 Ų | 130 | 119.7 Ų | 119.7 | 57% | 0.57 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -82.8 | -25.2 | 179.9 | -64.2 | -63.3 | 0 | 0 | 0 | 114.3 | L94 G95 M96 | L94-F98 HydrophobicContact CB-CD2 4.44Å; L94-F98 HydrophobicContact CB-CE2 4.23Å; L94-F98 HydrophobicContact CD2-CE2 4.22Å; L94-F98 WeakPolarHBondContact O-CD2 3.39Å; L94-F98 PolarHBondContact O-N 3.09Å; G95-F98 PolarHBondContact O-N 2.8Å; M96-F98 VanDerWaalsContact C-N 3.27Å; M96-F98 PolarHBondContact O-N 3.25Å |
| 99 | H | 72.3 | Confident | 71.5 | Confident | 145 Ų | 145 | 120.9 Ų | 120.9 | 67% | 0.671 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -77.3 | -27.1 | 177.5 | -80.2 | 48.5 | 0 | 0 | 0 | 113 | G95 M96 E101 A102 | G95-H99 WeakPolarHBondContact O-CB 3.49Å; G95-H99 PolarHBondContact O-N 2.82Å; G95-H99 PolarHBondContact O-ND1 2.97Å; M96-H99 PolarHBondContact O-N 3.35Å; H99-E101 VanDerWaalsContact C-N 3.26Å; H99-E101 PolarHBondContact O-N 2.93Å; H99-A102 PolarHBondContact O-N 3.29Å |
| 100 | N | 63.1 | Low | 69.9 | Low | 122 Ų | 122 | 124 Ų | 124 | 65% | 0.652 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -20.6 | 177.8 | -79.2 | -76.4 | 0 | 0 | 0 | 113.6 | M96 | M96-N100 PolarHBondContact O-N 3.27Å; M96-N100 PolarHBondContact O-ND2 3.29Å |
| 101 | E | 61 | Low | 68.1 | Low | 164 Ų | 164 | 126.1 Ų | 126.1 | 77% | 0.766 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -13 | 178.9 | -63.2 | -166.8 | 161.9 | 0 | 0 | 113.4 | H99 | H99-E101 VanDerWaalsContact C-N 3.26Å; H99-E101 PolarHBondContact O-N 2.93Å |
| 102 | A | 59.7 | Low | 66.1 | Low | 84 Ų | 84 | 131.4 Ų | 131.4 | 69% | 0.694 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -19.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | H99 | H99-A102 PolarHBondContact O-N 3.29Š|
| 103 | E | 57.8 | Low | 64.1 | Low | 171 Ų | 171 | 132.7 Ų | 132.7 | 80% | 0.799 | 69% | 0.694 | S | S | * | * | | | trans | -99.6 | 26.5 | -177 | -71.6 | -168.7 | 166.6 | 0 | 0 | 114.3 | K105 | E103-K105 PolarHBondContact O-N 2.98Š|
| 104 | G | 58.1 | Low | 61.9 | Low | 74 Ų | 74 | 132 Ų | 132 | 76% | 0.763 | 70% | 0.698 | S | S | * | * | | | trans | -68.4 | 36.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 105 | K | 55.8 | Low | 59.9 | Low | 189 Ų | 189 | 134.5 Ų | 134.5 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | | | trans | -95.5 | 102.9 | 167.5 | -76 | -84.5 | -175.9 | 173.3 | 0 | 107.3 | E103 | E103-K105 PolarHBondContact O-N 2.98Š|
| 106 | V | 53.6 | Low | 57.8 | Low | 120 Ų | 120 | 140 Ų | 140 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | | | trans | -39.6 | 122 | 170.2 | 176.7 | 0 | 0 | 0 | 0 | 110.6 | E108 | V106-E108 VanDerWaalsContact C-N 3.31Å; V106-E108 PolarHBondContact O-N 3Å |
| 107 | P | 56.4 | Low | 56.8 | Low | 128 Ų | 128 | 139.6 Ų | 139.6 | 83% | 0.831 | 75% | 0.749 | S | S | * | * | | | trans | -71.4 | 95.2 | 162.9 | 27.3 | -28.2 | 0 | 0 | 0 | 107.4 | | |
| 108 | E | 48.5 | Very low | 54.7 | Low | 190 Ų | 190 | 141.4 Ų | 141.4 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | | | trans | -77.8 | 115.9 | 171.9 | -170.5 | 175.3 | -163.8 | 0 | 0 | 108.6 | V106 | V106-E108 VanDerWaalsContact C-N 3.31Å; V106-E108 PolarHBondContact O-N 3Å |
| 109 | G | 43.3 | Very low | 53 | Low | 64 Ų | 64 | 141.9 Ų | 141.9 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | | | trans | 132.1 | 119.5 | 153 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 110 | P | 52.3 | Low | 51.8 | Low | 128 Ų | 128 | 143.8 Ų | 143.8 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | | | trans | -82.8 | 153.6 | -179.5 | 34.6 | -34.6 | 0 | 0 | 0 | 113.4 | | |
| 111 | Q | 51.9 | Low | 51.4 | Low | 172 Ų | 172 | 143.6 Ų | 143.6 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -30 | 127.4 | 167.7 | -70.2 | 173.4 | -43 | 0 | 0 | 115.2 | | |
| 112 | K | 44.4 | Very low | 50.5 | Low | 197 Ų | 197 | 144.7 Ų | 144.7 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | | | trans | -109.4 | 110.6 | 142.4 | -91.6 | -170.2 | 175.4 | -175.8 | 0 | 108.8 | | |
| 113 | R | 47.3 | Very low | 49.7 | Very low | 212 Ų | 212 | 148.6 Ų | 148.6 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | | | trans | -64.7 | 133 | 160.2 | -67.4 | -164 | -179.8 | -158.3 | 2.3 | 109.1 | | |
| 114 | H | 40.8 | Very low | 48.8 | Very low | 179 Ų | 179 | 146.9 Ų | 146.9 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | | | trans | -147.7 | 124.3 | 138.6 | -81.1 | -70.3 | 0 | 0 | 0 | 109 | | |
| 115 | S | 48.8 | Very low | 48.1 | Very low | 116 Ų | 116 | 151.9 Ų | 151.9 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | trans | -50.8 | 163.8 | 164.9 | -8.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 116 | D | 45.9 | Very low | 47.6 | Very low | 145 Ų | 145 | 151.4 Ų | 151.4 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | | | cis | -173.2 | -164 | 13 | -166.6 | 21.8 | 0 | 0 | 0 | 106.4 | | |
| 117 | P | 64.7 | Low | 47.4 | Very low | 95 Ų | 95 | 154.1 Ų | 154.1 | 62% | 0.617 | 80% | 0.803 | S | S | * | * | | | | -110.9 | 156.6 | -103.4 | 35.5 | -18.1 | 0 | 0 | 0 | 114.9 | | |
| 118 | V | 40.1 | Very low | 46.5 | Very low | 144 Ų | 144 | 152.5 Ų | 152.5 | 87% | 0.873 | 80% | 0.801 | S | S | * | * | | | trans | -153.6 | 137.4 | 142.1 | -127.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 119 | D | 47.7 | Very low | 46.4 | Very low | 141 Ų | 141 | 148.3 Ų | 148.3 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | | | trans | -34.9 | 140.6 | 173 | -74.2 | -70.8 | 0 | 0 | 0 | 115.2 | | |
| 120 | E | 47.2 | Very low | 46.4 | Very low | 184 Ų | 184 | 151.6 Ų | 151.6 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | | -173.5 | 114.6 | 106.4 | -96.6 | 177.8 | -164 | 0 | 0 | 110.5 | | |
| 121 | V | 54.8 | Low | 46 | Very low | 119 Ų | 119 | 152.5 Ų | 152.5 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | | | trans | 19.5 | 114.2 | 135.7 | -179.1 | 0 | 0 | 0 | 0 | 115.9 | | |
| 122 | H | 40.8 | Very low | 46 | Very low | 187 Ų | 187 | 149.7 Ų | 149.7 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | | | | -154.2 | 107.9 | 129.3 | -103.4 | 78.8 | 0 | 0 | 0 | 108.8 | | |
| 123 | E | 44.3 | Very low | 46.3 | Very low | 166 Ų | 166 | 147.8 Ų | 147.8 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | trans | -65.6 | 133.3 | 152.3 | -66.5 | -175.2 | 134.5 | 0 | 0 | 108.1 | | |
| 124 | D | 38.3 | Very low | 46.2 | Very low | 135 Ų | 135 | 145 Ų | 145 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | | | | 170.3 | 121.9 | 108.3 | -91.2 | -23 | 0 | 0 | 0 | 111.5 | | |
| 125 | E | 43.4 | Very low | 46.1 | Very low | 178 Ų | 178 | 141.7 Ų | 141.7 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | | | trans | 56.4 | 149 | 131.7 | -56.8 | -151.5 | 126.4 | 0 | 0 | 124 | | |
| 126 | E | 45 | Very low | 45.7 | Very low | 180 Ų | 180 | 142.1 Ų | 142.1 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | | | trans | 85 | 79.2 | 162 | -70.3 | -164 | 127.4 | 0 | 0 | 120.5 | | |
| 127 | L | 49.4 | Very low | 45.6 | Very low | 176 Ų | 176 | 146.9 Ų | 146.9 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | | | | 13.9 | 106.1 | 118.9 | -59.3 | 175 | 0 | 0 | 0 | 118 | | |
| 128 | A | 37.1 | Very low | 44.5 | Very low | 94 Ų | 94 | 153.3 Ų | 153.3 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | | | trans | -152.1 | 85.9 | 136.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | T130 | A128-T130 PolarHBondContact O-N 3.12Š|
| 129 | S | 46.9 | Very low | 44.7 | Very low | 103 Ų | 103 | 151.2 Ų | 151.2 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | | | trans | -63.6 | 114 | 163.6 | 177.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 130 | T | 43.5 | Very low | 44.5 | Very low | 132 Ų | 132 | 149.8 Ų | 149.8 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | | | trans | -111.7 | 81.2 | 158.3 | 50 | 0 | 0 | 0 | 0 | 108.8 | A128 P132 | A128-T130 PolarHBondContact O-N 3.12Å; T130-P132 WeakPolarHBondContact O-CD 3.37Å |
| 131 | E | 43.9 | Very low | 44.2 | Very low | 147 Ų | 147 | 148.3 Ų | 148.3 | 69% | 0.687 | 80% | 0.797 | S | S | * | * | | | trans | -63.1 | 117.9 | 168.1 | -174.5 | 178.4 | -178.4 | 0 | 0 | 110 | L133 | E131-L133 PolarHBondContact O-N 2.99Š|
| 132 | P | 51.7 | Low | 43.8 | Very low | 114 Ų | 114 | 152.7 Ų | 152.7 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | | | trans | -75.1 | 114.3 | 172.8 | 28.1 | -30.1 | 0 | 0 | 0 | 109.8 | T130 L134 | T130-P132 WeakPolarHBondContact O-CD 3.37Å; P132-L134 PolarHBondContact O-N 3.48Å |
| 133 | L | 50.1 | Low | 44.1 | Very low | 157 Ų | 157 | 147.1 Ų | 147.1 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -66.9 | 39.8 | 177.3 | -71.8 | 173.5 | 0 | 0 | 0 | 115 | E131 | E131-L133 PolarHBondContact O-N 2.99Š|
| 134 | L | 45.3 | Very low | 44.5 | Very low | 154 Ų | 154 | 143.9 Ų | 143.9 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | | | trans | -136.6 | 93.2 | 170.7 | -66.2 | 175.8 | 0 | 0 | 0 | 109.6 | P132 P136 | P132-L134 PolarHBondContact O-N 3.48Å; L134-P136 WeakPolarHBondContact O-CD 3.03Å |
| 135 | S | 39.2 | Very low | 44.9 | Very low | 108 Ų | 108 | 144.1 Ų | 144.1 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | | | trans | -49.9 | 122.6 | 164.6 | 52.5 | 0 | 0 | 0 | 0 | 109.6 | R137 | S135-R137 PolarHBondContact O-N 3.19Š|
| 136 | P | 40.7 | Very low | 45.1 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -60.1 | 105.7 | 172.9 | -22.9 | 33.6 | 0 | 0 | 0 | 109.2 | L134 R138 | L134-P136 WeakPolarHBondContact O-CD 3.03Å; P136-R138 PolarHBondContact O-N 2.74Å |
| 137 | R | 42.5 | Very low | 45.5 | Very low | 245 Ų | 245 | 141.9 Ų | 141.9 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | | | trans | -67.1 | 108.8 | 175.4 | -153 | 179.8 | -178.6 | -164.5 | -0.2 | 107 | S135 A139 | S135-R137 PolarHBondContact O-N 3.19Å; R137-A139 PolarHBondContact O-N 3.11Å |
| 138 | R | 41.9 | Very low | 45.3 | Very low | 229 Ų | 229 | 142.9 Ų | 142.9 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | | | trans | -48.9 | 130.5 | 173.6 | -78.1 | -178.9 | 175.2 | 157.7 | -1.2 | 109.4 | P136 T140 | P136-R138 PolarHBondContact O-N 2.74Å; R138-T140 PolarHBondContact O-N 3.34Å; R138-T140 VanDerWaalsContact O-N 3.14Å |
| 139 | A | 45.3 | Very low | 45.7 | Very low | 100 Ų | 100 | 143 Ų | 143 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | | | trans | -61.3 | 112.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | R137 | R137-A139 PolarHBondContact O-N 3.11Š|
| 140 | T | 43.1 | Very low | 45.8 | Very low | 112 Ų | 112 | 145.4 Ų | 145.4 | 69% | 0.687 | 81% | 0.806 | S | S | * | * | | | trans | -76.1 | 122.3 | 168 | -22.7 | 0 | 0 | 0 | 0 | 108.3 | R138 F142 | R138-T140 PolarHBondContact O-N 3.34Å; R138-T140 VanDerWaalsContact O-N 3.14Å; T140-F142 PolarHBondContact O-N 3.01Å |
| 141 | D | 41.4 | Very low | 46 | Very low | 153 Ų | 153 | 147.2 Ų | 147.2 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | 8.9 | 101.4 | 156.7 | -67 | -39.3 | 0 | 0 | 0 | 117.8 | G143 | D141-G143 PolarHBondContact O-N 3.31Š|
| 142 | F | 45.1 | Very low | 46 | Very low | 210 Ų | 210 | 148.9 Ų | 148.9 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | | | trans | -83.8 | 72.6 | 155.1 | -76.7 | -80.6 | 0 | 0 | 0 | 109.4 | T140 | T140-F142 PolarHBondContact O-N 3.01Š|
| 143 | G | 47.4 | Very low | 45.5 | Very low | 70 Ų | 70 | 148.3 Ų | 148.3 | 72% | 0.722 | 83% | 0.827 | S | S | * | * | | | trans | -123.2 | 58.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D141 | D141-G143 PolarHBondContact O-N 3.31Š|
| 144 | S | 52.3 | Low | 45 | Very low | 99 Ų | 99 | 145.4 Ų | 145.4 | 69% | 0.692 | 83% | 0.825 | S | S | * | * | | | trans | -167.2 | 84.2 | 163.2 | -170.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 145 | V | 46.8 | Very low | 44.9 | Very low | 140 Ų | 140 | 144 Ų | 144 | 85% | 0.848 | 83% | 0.826 | S | S | * | * | | | trans | -141.2 | 56.6 | 162.2 | -167.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 146 | V | 49.1 | Very low | 45 | Very low | 145 Ų | 145 | 147.1 Ų | 147.1 | 88% | 0.879 | 83% | 0.834 | S | S | * | * | | | trans | -137.6 | 39.9 | 174.6 | -175.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 147 | E | 52.4 | Low | 45 | Very low | 166 Ų | 166 | 150.6 Ų | 150.6 | 78% | 0.776 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -147.7 | 29.5 | -177.8 | -127.1 | 175 | -159 | 0 | 0 | 116.8 | | |
| 148 | H | 44.5 | Very low | 44.7 | Very low | 197 Ų | 197 | 143.5 Ų | 143.5 | 91% | 0.912 | 83% | 0.833 | S | S | * | * | | | trans | -130.8 | 31.6 | 174 | -63.8 | -53.7 | 0 | 0 | 0 | 114.8 | | |
| 149 | A | 46.4 | Very low | 44.8 | Very low | 95 Ų | 95 | 138 Ų | 138 | 79% | 0.785 | 83% | 0.829 | S | S | * | * | | | trans | -93.8 | 4.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 150 | N | 49.7 | Very low | 44.7 | Very low | 154 Ų | 154 | 142.7 Ų | 142.7 | 82% | 0.824 | 83% | 0.834 | S | S | * | * | | | trans | -126.3 | 55.4 | -169.8 | -77.3 | -21 | 0 | 0 | 0 | 115.1 | | |
| 151 | L | 47.4 | Very low | 44.7 | Very low | 171 Ų | 171 | 142.9 Ų | 142.9 | 90% | 0.895 | 84% | 0.835 | S | S | * | * | | | trans | -136.5 | 37.3 | 170.4 | -71.8 | 178.8 | 0 | 0 | 0 | 114.1 | | |
| 152 | L | 44.3 | Very low | 44.5 | Very low | 182 Ų | 182 | 145.5 Ų | 145.5 | 95% | 0.953 | 84% | 0.84 | S | S | * | * | | | trans | -127.4 | 72.2 | 166.8 | -69 | 174.7 | 0 | 0 | 0 | 110.1 | | |
| 153 | A | 39.9 | Very low | 44.1 | Very low | 101 Ų | 101 | 140.8 Ų | 140.8 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | | | trans | -106.3 | 104.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 154 | A | 39.6 | Very low | 43.7 | Very low | 96 Ų | 96 | 140 Ų | 140 | 79% | 0.793 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 140.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 155 | P | 44 | Very low | 42.8 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 134.4 | 174.5 | 30.3 | -30.3 | 0 | 0 | 0 | 111.7 | | |
| 156 | D | 40.2 | Very low | 42.8 | Very low | 172 Ų | 172 | 142 Ų | 142 | 92% | 0.92 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 132.9 | 167.5 | -99.6 | -32.8 | 0 | 0 | 0 | 111.5 | | |
| 157 | Q | 42.2 | Very low | 42.2 | Very low | 199 Ų | 199 | 140.5 Ų | 140.5 | 93% | 0.93 | 82% | 0.823 | S | S | * | * | | | trans | -139.6 | 136 | 161.2 | -152.9 | 171.4 | 69.7 | 0 | 0 | 111.7 | | |
| 158 | A | 35.4 | Very low | 42.5 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | | | trans | -80.8 | 159.6 | -152.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 159 | S | 44.2 | Very low | 42.1 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | | | trans | -38.3 | 137.6 | 166.8 | -67.3 | 0 | 0 | 0 | 0 | 115.9 | | |
| 160 | Q | 43.3 | Very low | 42.4 | Very low | 199 Ų | 199 | 142 Ų | 142 | 93% | 0.93 | 82% | 0.819 | S | S | * | * | | | trans | -123.1 | 120.9 | 143.9 | -86.7 | -173.7 | -2.4 | 0 | 0 | 111.3 | | |
| 161 | V | 42.5 | Very low | 42.2 | Very low | 117 Ų | 117 | 141.8 Ų | 141.8 | 71% | 0.709 | 82% | 0.816 | S | S | * | * | | | trans | -68.7 | 133.1 | 172.1 | 170.4 | 0 | 0 | 0 | 0 | 108.8 | V163 | V161-V163 HydrophobicContact CG1-CG2 3.84Š|
| 162 | F | 38.6 | Very low | 42.5 | Very low | 207 Ų | 207 | 141.5 Ų | 141.5 | 91% | 0.908 | 82% | 0.815 | S | S | * | * | | | trans | -132.4 | 122.4 | 154 | -146 | -96.3 | 0 | 0 | 0 | 110.7 | | |
| 163 | V | 35.3 | Very low | 42.1 | Very low | 112 Ų | 112 | 144.2 Ų | 144.2 | 68% | 0.679 | 81% | 0.812 | S | S | * | * | | | trans | -93 | 133.8 | -173 | 160.6 | 0 | 0 | 0 | 0 | 109.2 | V161 | V161-V163 HydrophobicContact CG1-CG2 3.84Š|
| 164 | G | 39 | Very low | 42.1 | Very low | 53 Ų | 53 | 146.2 Ų | 146.2 | 55% | 0.546 | 81% | 0.809 | S | S | . | * | | | trans | 69 | 123.8 | 141.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 165 | N | 34.8 | Very low | 43.3 | Very low | 166 Ų | 166 | 146.3 Ų | 146.3 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | | | | 178.8 | 146.9 | 91.2 | -76.7 | -19.2 | 0 | 0 | 0 | 110.9 | | |
| 166 | S | 45.3 | Very low | 43.1 | Very low | 116 Ų | 116 | 149.3 Ų | 149.3 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | | | trans | -83.1 | 175 | -164.5 | 30.7 | 0 | 0 | 0 | 0 | 116.3 | | |
| 167 | S | 37.5 | Very low | 43.1 | Very low | 112 Ų | 112 | 147.2 Ų | 147.2 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | | | trans | 120.5 | 160.6 | 138.3 | -123.6 | 0 | 0 | 0 | 0 | 117.5 | | |
| 168 | P | 58.9 | Low | 43.3 | Very low | 89 Ų | 89 | 142.3 Ų | 142.3 | 58% | 0.578 | 79% | 0.791 | S | S | * | * | | | | -140.4 | 124.5 | -105.7 | 35.4 | -12.3 | 0 | 0 | 0 | 114.6 | | |
| 169 | F | 35.4 | Very low | 43.4 | Very low | 203 Ų | 203 | 145.5 Ų | 145.5 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | | | trans | -144.3 | 113.6 | 162.1 | -72.9 | -75.6 | 0 | 0 | 0 | 111.4 | | |
| 170 | E | 52.3 | Low | 43.2 | Very low | 198 Ų | 198 | 149.3 Ų | 149.3 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | | | trans | -69.8 | 117.6 | 160 | -70.6 | -178.8 | 159 | 0 | 0 | 108.4 | | |
| 171 | I | 47.1 | Very low | 43.2 | Very low | 149 Ų | 149 | 146 Ų | 146 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | | | trans | -131 | 98.4 | 158.5 | -60.3 | 179.4 | 0 | 0 | 0 | 107.7 | W173 | I171-W173 PolarHBondContact O-N 3.34Š|
| 172 | L | 53.2 | Low | 43.3 | Very low | 165 Ų | 165 | 148.6 Ų | 148.6 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | | | trans | -50.8 | 114.7 | 155.2 | -176.3 | 85.6 | 0 | 0 | 0 | 109.5 | | |
| 173 | W | 34.5 | Very low | 43.6 | Very low | 239 Ų | 239 | 144.3 Ų | 144.3 | 91% | 0.905 | 78% | 0.78 | S | S | * | * | | | trans | -157.2 | 132 | 151.4 | -157.3 | -101.9 | 0 | 0 | 0 | 112 | I171 | I171-W173 PolarHBondContact O-N 3.34Š|
| 174 | D | 41.3 | Very low | 44.2 | Very low | 143 Ų | 143 | 147.4 Ų | 147.4 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | | | trans | -72.4 | 166.7 | -170.7 | -108.1 | -17.8 | 0 | 0 | 0 | 114.1 | | |
| 175 | P | 63.8 | Low | 44.6 | Very low | 99 Ų | 99 | 148.7 Ų | 148.7 | 64% | 0.643 | 79% | 0.793 | S | S | * | * | | | trans | -90.5 | 135.3 | -159 | 34.3 | -33.2 | 0 | 0 | 0 | 112.1 | | |
| 176 | Q | 39.5 | Very low | 45.1 | Very low | 189 Ų | 189 | 149 Ų | 149 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | trans | -165.2 | 139 | 149 | -115 | 159.8 | 84.1 | 0 | 0 | 113.5 | | |
| 177 | V | 42 | Very low | 45.1 | Very low | 128 Ų | 128 | 151 Ų | 151 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | | | trans | 86.2 | 112.3 | 154.5 | -177.4 | 0 | 0 | 0 | 0 | 117.6 | | |
| 178 | A | 44.6 | Very low | 45.5 | Very low | 95 Ų | 95 | 151.4 Ų | 151.4 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | 45.1 | 116.6 | 143.5 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 179 | M | 37.3 | Very low | 44.9 | Very low | 165 Ų | 165 | 155 Ų | 155 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | | | trans | -133.1 | 107.9 | 156.6 | -146.1 | -177.7 | -55.2 | 0 | 0 | 108.7 | I181 | M179-I181 HydrophobicContact CB-CG1 4.48Å; M179-I181 HydrophobicContact CG-CG1 4.49Å |
| 180 | E | 42 | Very low | 45.4 | Very low | 191 Ų | 191 | 153.9 Ų | 153.9 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | | | trans | -53.7 | 129.5 | 146.9 | -74 | 171.1 | 144.4 | 0 | 0 | 107.3 | | |
| 181 | I | 43 | Very low | 45.1 | Very low | 129 Ų | 129 | 153.9 Ų | 153.9 | 66% | 0.662 | 81% | 0.808 | S | S | * | * | | | trans | -117.5 | 94.9 | 170.3 | -37.2 | 179.4 | 0 | 0 | 0 | 107.3 | M179 T183 | M179-I181 HydrophobicContact CB-CG1 4.48Å; M179-I181 HydrophobicContact CG-CG1 4.49Å; I181-T183 HydrophobicContact CG2-CG2 3.54Å; I181-T183 PolarHBondContact O-N 3.41Å |
| 182 | E | 45 | Very low | 45.4 | Very low | 173 Ų | 173 | 151.4 Ų | 151.4 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | | | trans | -61.3 | 113.6 | 152.3 | -163.8 | 168.6 | -146.3 | 0 | 0 | 107 | | |
| 183 | T | 45 | Very low | 45.3 | Very low | 116 Ų | 116 | 152.5 Ų | 152.5 | 71% | 0.712 | 81% | 0.81 | S | S | * | * | | | trans | -126.6 | 96.5 | 169 | 54.1 | 0 | 0 | 0 | 0 | 109.4 | I181 A185 | I181-T183 HydrophobicContact CG2-CG2 3.54Å; I181-T183 PolarHBondContact O-N 3.41Å; T183-A185 PolarHBondContact O-N 3.06Å |
| 184 | E | 47.3 | Very low | 46.1 | Very low | 177 Ų | 177 | 148.4 Ų | 148.4 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | | | trans | -66.9 | 115.6 | 159.1 | -6.1 | 176.7 | -170.6 | 0 | 0 | 108 | | |
| 185 | A | 47.2 | Very low | 46.6 | Very low | 81 Ų | 81 | 146.5 Ų | 146.5 | 67% | 0.669 | 81% | 0.805 | S | S | * | * | | | trans | -127.1 | 112.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | T183 I187 | T183-A185 PolarHBondContact O-N 3.06Å; A185-I187 PolarHBondContact O-N 3.46Å |
| 186 | N | 45.9 | Very low | 46.1 | Very low | 173 Ų | 173 | 151.7 Ų | 151.7 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | | | trans | -53.4 | 113.4 | 168.8 | -75 | -79.1 | 0 | 0 | 0 | 110 | | |
| 187 | I | 44.9 | Very low | 47 | Very low | 158 Ų | 158 | 148.2 Ų | 148.2 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | | | trans | -105.5 | 113.3 | 171.1 | 41.4 | 167.5 | 0 | 0 | 0 | 109.4 | A185 | A185-I187 PolarHBondContact O-N 3.46Š|
| 188 | S | 44.9 | Very low | 48 | Very low | 119 Ų | 119 | 145.9 Ų | 145.9 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | -59 | 130.2 | 164.3 | 173.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 189 | L | 47 | Very low | 49 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | | | trans | -112.7 | 75.6 | -171.9 | -167 | 166.2 | 0 | 0 | 0 | 109.1 | | |
| 190 | E | 46.3 | Very low | 50.5 | Low | 180 Ų | 180 | 144.5 Ų | 144.5 | 84% | 0.841 | 77% | 0.77 | S | S | * | * | | | trans | -155.6 | 58 | 175 | -162.1 | 177.4 | -173.2 | 0 | 0 | 112.4 | | |
| 191 | E | 45.2 | Very low | 51.8 | Low | 199 Ų | 199 | 140.8 Ų | 140.8 | 93% | 0.93 | 75% | 0.753 | S | S | * | * | | | trans | -160.1 | 63.9 | 162.9 | -151.9 | 177.8 | 166.6 | 0 | 0 | 110.3 | | |
| 192 | A | 53.7 | Low | 52.9 | Low | 96 Ų | 96 | 140.9 Ų | 140.9 | 79% | 0.793 | 75% | 0.748 | S | S | * | * | | | trans | -119.9 | 57.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 193 | E | 52.1 | Low | 53.9 | Low | 188 Ų | 188 | 142.2 Ų | 142.2 | 88% | 0.879 | 75% | 0.746 | S | S | * | * | | | trans | -162.2 | 59.2 | 169.3 | -149.3 | -179.5 | 177.4 | 0 | 0 | 114.6 | | |
| 194 | E | 50.6 | Low | 54.7 | Low | 153 Ų | 153 | 141.3 Ų | 141.3 | 72% | 0.715 | 74% | 0.736 | S | S | * | * | | | trans | -155.3 | 54.1 | 159.8 | -143.1 | -174.1 | 144.6 | 0 | 0 | 113.5 | R196 | E194-R196 PolarHBondContact O-N 3.32Å; E194-R196 VanDerWaalsContact O-N 3.08Å; E194-R196 IonicContact OE1-NE 2.98Å; E194-R196 IonicContact OE1-NH2 2.82Å |
| 195 | A | 51.5 | Low | 55.4 | Low | 104 Ų | 104 | 134.9 Ų | 134.9 | 86% | 0.86 | 71% | 0.711 | S | S | * | * | | | trans | -73.2 | 100.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | E197 | A195-E197 PolarHBondContact O-N 3.07Š|
| 196 | R | 54.4 | Low | 56.1 | Low | 208 Ų | 208 | 137.6 Ų | 137.6 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | | | trans | -48.1 | 110.7 | 178.3 | -65.8 | -156.4 | 161.8 | -165.5 | -4.1 | 112.1 | E194 T198 | E194-R196 PolarHBondContact O-N 3.32Å; E194-R196 VanDerWaalsContact O-N 3.08Å; E194-R196 IonicContact OE1-NE 2.98Å; E194-R196 IonicContact OE1-NH2 2.82Å; R196-T198 PolarHBondContact O-N 2.9Å |
| 197 | E | 56.8 | Low | 56.7 | Low | 115 Ų | 115 | 133.8 Ų | 133.8 | 54% | 0.537 | 70% | 0.698 | S | S | . | * | | | trans | -62.7 | 99.3 | 173 | -160.4 | -178 | -164.3 | 0 | 0 | 108.8 | A195 H201 | A195-E197 PolarHBondContact O-N 3.07Å; E197-H201 HydrophobicContact CG-CB 4.34Å |
| 198 | T | 62.8 | Low | 57.3 | Low | 80 Ų | 80 | 133.4 Ų | 133.4 | 49% | 0.491 | 70% | 0.697 | S | S | . | * | | | trans | -62.2 | 145.1 | 175.6 | 60 | 0 | 0 | 0 | 0 | 109.4 | R196 L200 H201 K202 | R196-T198 PolarHBondContact O-N 2.9Å; T198-L200 PolarHBondContact O-N 3.36Å; T198-H201 WeakPolarHBondContact O-CA 3.49Å; T198-H201 VanDerWaalsContact O-CB 3.3Å; T198-H201 WeakPolarHBondContact O-CB 3.07Å; T198-H201 PolarHBondContact O-N 3.22Å; T198-H201 PolarHBondContact OG1-N 3.11Å; T198-K202 PolarHBondContact O-N 3.05Å |
| 199 | P | 67.3 | Low | 57.9 | Low | 111 Ų | 111 | 133.5 Ų | 133.5 | 72% | 0.721 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -54.6 | -25 | 179.7 | -27.4 | 34.2 | 0 | 0 | 0 | 114 | R203 | P199-R203 PolarHBondContact O-N 3.24Å |
| 200 | L | 68.3 | Low | 58.2 | Low | 119 Ų | 119 | 131.2 Ų | 131.2 | 62% | 0.623 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -74.6 | -36.6 | 175.4 | -169 | 137.7 | 0 | 0 | 0 | 112.2 | T198 K202 R203 L204 | T198-L200 PolarHBondContact O-N 3.36Å; L200-K202 VanDerWaalsContact C-N 3.32Å; L200-R203 PolarHBondContact O-N 2.96Å; L200-L204 HydrophobicContact CD2-CD1 3.52Å; L200-L204 HydrophobicContact CD2-CG 4.32Å; L200-L204 HydrophobicContact CG-CD1 4.43Å; L200-L204 WeakPolarHBondContact O-CG 3.37Å; L200-L204 PolarHBondContact O-N 3.01Å |
| 201 | H | 68.9 | Low | 58.4 | Low | 114 Ų | 114 | 129 Ų | 129 | 53% | 0.528 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -62.1 | -41.4 | 172.4 | -161.7 | 69.7 | 0 | 0 | 0 | 111.1 | E197 T198 R203 L204 S205 | E197-H201 HydrophobicContact CG-CB 4.34Å; T198-H201 WeakPolarHBondContact O-CA 3.49Å; T198-H201 VanDerWaalsContact O-CB 3.3Å; T198-H201 WeakPolarHBondContact O-CB 3.07Å; T198-H201 PolarHBondContact O-N 3.22Å; T198-H201 PolarHBondContact OG1-N 3.11Å; H201-R203 PolarHBondContact O-N 3.15Å; H201-L204 PolarHBondContact O-N 2.8Å; H201-S205 WeakPolarHBondContact O-CB 3.4Å; H201-S205 PolarHBondContact O-N 3.47Å; H201-S205 PolarHBondContact O-OG 2.79Å; H201-S205 VanDerWaalsContact O-OG 3.13Å |
| 202 | K | 66.1 | Low | 58.4 | Low | 130 Ų | 130 | 127.7 Ų | 127.7 | 57% | 0.565 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -64.1 | -35.5 | 176 | -167.5 | 165.7 | -175.4 | 165 | 0 | 113.8 | T198 L200 S205 M206 | T198-K202 PolarHBondContact O-N 3.05Å; L200-K202 VanDerWaalsContact C-N 3.32Å; K202-S205 WeakPolarHBondContact CA-OG 3.38Å; K202-S205 PolarHBondContact O-OG 2.91Å; K202-M206 WeakPolarHBondContact O-CG 3.39Å; K202-M206 PolarHBondContact O-N 3.16Å |
| 203 | R | 65.4 | Low | 58.6 | Low | 201 Ų | 201 | 132.6 Ų | 132.6 | 76% | 0.758 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -72.5 | -35.6 | 174.3 | -82.4 | 178.6 | 64.6 | -179.9 | -0.7 | 112.8 | P199 L200 H201 S207 | P199-R203 PolarHBondContact O-N 3.24Å; L200-R203 PolarHBondContact O-N 2.96Å; H201-R203 PolarHBondContact O-N 3.15Å; R203-S207 PolarHBondContact O-OG 3.04Å |
| 204 | L | 62.3 | Low | 58.6 | Low | 97 Ų | 97 | 127 Ų | 127 | 51% | 0.508 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -77.3 | -38.2 | 178.9 | -71.2 | 175.5 | 0 | 0 | 0 | 112.2 | L200 H201 M206 S207 | L200-L204 HydrophobicContact CD2-CD1 3.52Å; L200-L204 HydrophobicContact CD2-CG 4.32Å; L200-L204 HydrophobicContact CG-CD1 4.43Å; L200-L204 WeakPolarHBondContact O-CG 3.37Å; L200-L204 PolarHBondContact O-N 3.01Å; H201-L204 PolarHBondContact O-N 2.8Å; L204-M206 VanDerWaalsContact C-N 3.32Å; L204-M206 PolarHBondContact O-N 3.36Å; L204-S207 PolarHBondContact O-N 2.92Å; L204-S207 VanDerWaalsContact O-N 3.09Å |
| 205 | S | 62.3 | Low | 58.3 | Low | 43 Ų | 43 | 124.4 Ų | 124.4 | 30% | 0.301 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -64 | -37.5 | 177.3 | 63.7 | 0 | 0 | 0 | 0 | 111.8 | H201 K202 S207 I209 | H201-S205 WeakPolarHBondContact O-CB 3.4Å; H201-S205 PolarHBondContact O-N 3.47Å; H201-S205 PolarHBondContact O-OG 2.79Å; H201-S205 VanDerWaalsContact O-OG 3.13Å; K202-S205 WeakPolarHBondContact CA-OG 3.38Å; K202-S205 PolarHBondContact O-OG 2.91Å; S205-S207 VanDerWaalsContact C-N 3.29Å; S205-S207 PolarHBondContact O-N 2.92Å; S205-I209 WeakPolarHBondContact O-CG1 3.16Å |
| 206 | M | 60.9 | Low | 58.3 | Low | 138 Ų | 138 | 126.1 Ų | 126.1 | 68% | 0.68 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -21.2 | 173 | -75.3 | -58.4 | -35.8 | 0 | 0 | 114.5 | K202 L204 | K202-M206 WeakPolarHBondContact O-CG 3.39Å; K202-M206 PolarHBondContact O-N 3.16Å; L204-M206 VanDerWaalsContact C-N 3.32Å; L204-M206 PolarHBondContact O-N 3.36Å |
| 207 | S | 59.5 | Low | 57.9 | Low | 92 Ų | 92 | 121.6 Ų | 121.6 | 64% | 0.643 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -10.1 | -177.7 | -63.7 | 0 | 0 | 0 | 0 | 113.7 | R203 L204 S205 | R203-S207 PolarHBondContact O-OG 3.04Å; L204-S207 PolarHBondContact O-N 2.92Å; L204-S207 VanDerWaalsContact O-N 3.09Å; S205-S207 VanDerWaalsContact C-N 3.29Å; S205-S207 PolarHBondContact O-N 2.92Å |
| 208 | L | 57.1 | Low | 57.6 | Low | 151 Ų | 151 | 121.4 Ų | 121.4 | 79% | 0.791 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -101.1 | 9.2 | -172.1 | -76.7 | 171.5 | 0 | 0 | 0 | 115.2 | | |
| 209 | I | 58.2 | Low | 57 | Low | 121 Ų | 121 | 126.3 Ų | 126.3 | 62% | 0.621 | 71% | 0.709 | S | S | * | * | | | trans | -121.5 | 38.8 | -169.5 | -24.1 | 175.6 | 0 | 0 | 0 | 114.6 | S205 | S205-I209 WeakPolarHBondContact O-CG1 3.16Š|
| 210 | T | 53.3 | Low | 56.1 | Low | 116 Ų | 116 | 126.9 Ų | 126.9 | 71% | 0.712 | 71% | 0.71 | S | S | * | * | | | trans | -134.9 | 60.5 | 167.4 | 61.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 211 | C | 49.3 | Very low | 54.9 | Low | 134 Ų | 134 | 130.8 Ų | 130.8 | 91% | 0.905 | 72% | 0.722 | S | S | * | * | | | trans | -111.8 | 79.5 | 151.6 | -69.9 | 0 | 0 | 0 | 0 | 106.5 | E213 | C211-E213 PolarHBondContact O-N 3.05Å; C211-E213 VanDerWaalsContact O-N 3.16Å |
| 212 | H | 45.1 | Very low | 53.9 | Low | 170 Ų | 170 | 130.3 Ų | 130.3 | 79% | 0.787 | 74% | 0.738 | S | S | * | * | | | trans | -68 | 109.7 | 166.8 | -70.6 | -74.3 | 0 | 0 | 0 | 107.9 | G214 | H212-G214 PolarHBondContact O-N 2.78Š|
| 213 | E | 59.2 | Low | 53 | Low | 200 Ų | 200 | 132.6 Ų | 132.6 | 94% | 0.935 | 75% | 0.751 | S | S | * | * | | | trans | -65.9 | 117.3 | 160.9 | -176.1 | 170.1 | -170.6 | 0 | 0 | 108 | C211 | C211-E213 PolarHBondContact O-N 3.05Å; C211-E213 VanDerWaalsContact O-N 3.16Å |
| 214 | G | 51.6 | Low | 52.1 | Low | 69 Ų | 69 | 130.3 Ų | 130.3 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | | | trans | 167.9 | 127.3 | 173 | 0 | 0 | 0 | 0 | 0 | 116.5 | H212 | H212-G214 PolarHBondContact O-N 2.78Š|
| 215 | A | 43.3 | Very low | 51.2 | Low | 99 Ų | 99 | 134.5 Ų | 134.5 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | 84.7 | 99.8 | 152.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | S217 | A215-S217 PolarHBondContact O-N 3.23Š|
| 216 | T | 52.9 | Low | 50.3 | Low | 141 Ų | 141 | 141.3 Ų | 141.3 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | | | trans | -55.5 | 107 | 149.1 | 48.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 217 | S | 44.8 | Very low | 49.4 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | | | trans | -95.4 | 88.7 | 161.7 | 176.7 | 0 | 0 | 0 | 0 | 108.4 | A215 | A215-S217 PolarHBondContact O-N 3.23Š|
| 218 | S | 50.7 | Low | 48.6 | Very low | 110 Ų | 110 | 145.2 Ų | 145.2 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | | | trans | -73.7 | 150.2 | 149.8 | -79.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 219 | Q | 50.3 | Low | 47.8 | Very low | 184 Ų | 184 | 150 Ų | 150 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | | | trans | 89.2 | 71 | 169.7 | -161 | 174 | 6.3 | 0 | 0 | 116.4 | | |
| 220 | V | 48 | Very low | 46.9 | Very low | 122 Ų | 122 | 147.4 Ų | 147.4 | 74% | 0.739 | 82% | 0.82 | S | S | * | * | | | trans | -154.2 | 143.5 | 130.3 | -179.3 | 0 | 0 | 0 | 0 | 106.2 | | |
| 221 | F | 43.2 | Very low | 46.2 | Very low | 202 Ų | 202 | 151.5 Ų | 151.5 | 89% | 0.886 | 83% | 0.828 | S | S | * | * | | | trans | 113.5 | 54.5 | 178.6 | -56.1 | -59.7 | 0 | 0 | 0 | 114.1 | | |
| 222 | A | 48 | Very low | 45.7 | Very low | 104 Ų | 104 | 149.9 Ų | 149.9 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | | | trans | -136.9 | 62.4 | 155.7 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 223 | E | 47 | Very low | 45.6 | Very low | 178 Ų | 178 | 150.6 Ų | 150.6 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | | | trans | -163.6 | 150.5 | 167.9 | -148.6 | 158.6 | -174.3 | 0 | 0 | 108.5 | | |
| 224 | I | 47.1 | Very low | 45 | Very low | 152 Ų | 152 | 146.8 Ų | 146.8 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | | | trans | 86 | 72.4 | -172.8 | -41.3 | 162.6 | 0 | 0 | 0 | 113.6 | | |
| 225 | H | 44 | Very low | 44.5 | Very low | 185 Ų | 185 | 150.2 Ų | 150.2 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | | | trans | -163.2 | 64.5 | 135.2 | -93.7 | -66.6 | 0 | 0 | 0 | 109.4 | | |
| 226 | H | 43.8 | Very low | 44.6 | Very low | 186 Ų | 186 | 151.9 Ų | 151.9 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | | | trans | -123.9 | 140.2 | 154.1 | -77 | -64.7 | 0 | 0 | 0 | 107.8 | | |
| 227 | E | 40.9 | Very low | 44.3 | Very low | 185 Ų | 185 | 152.7 Ų | 152.7 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | | | trans | 98.2 | 86.2 | 177.6 | -55.3 | -177.1 | -165 | 0 | 0 | 116.5 | | |
| 228 | S | 43 | Very low | 44.2 | Very low | 128 Ų | 128 | 155.8 Ų | 155.8 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | | | | -172.5 | 86.8 | 120.7 | -84.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 229 | R | 41.1 | Very low | 43.8 | Very low | 251 Ų | 251 | 157.6 Ų | 157.6 | 95% | 0.947 | 81% | 0.811 | S | S | * | * | | | trans | -87.4 | 113.1 | 158.7 | 177 | -175 | -166.2 | -179.8 | 4.4 | 106.4 | | |
| 230 | A | 38.9 | Very low | 43.9 | Very low | 67 Ų | 67 | 157.4 Ų | 157.4 | 55% | 0.554 | 81% | 0.81 | S | S | * | * | | | trans | 165.4 | 149.5 | 136.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 231 | F | 37.1 | Very low | 44 | Very low | 201 Ų | 201 | 158.7 Ų | 158.7 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | | | trans | 80.2 | 127.4 | 166.6 | -53.4 | -71.1 | 0 | 0 | 0 | 115.7 | | |
| 232 | S | 38.6 | Very low | 44.2 | Very low | 100 Ų | 100 | 155.4 Ų | 155.4 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | | | cis | -162.9 | 146.9 | 0.2 | -75.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 233 | E | 43.7 | Very low | 44.3 | Very low | 185 Ų | 185 | 158 Ų | 158 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | | | trans | -63.6 | 149.2 | 156.6 | -70.2 | -177.4 | 158 | 0 | 0 | 109.6 | | |
| 234 | P | 46.3 | Very low | 44.6 | Very low | 120 Ų | 120 | 152.5 Ų | 152.5 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | | | | -137.2 | 128.4 | 118.4 | 32.3 | -18.1 | 0 | 0 | 0 | 113.2 | V236 | P234-V236 PolarHBondContact O-N 2.82Š|
| 235 | N | 41.9 | Very low | 44.8 | Very low | 141 Ų | 141 | 150.4 Ų | 150.4 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | | | trans | -51.7 | 117.8 | 155.2 | 174.8 | -4.6 | 0 | 0 | 0 | 111.2 | | |
| 236 | V | 46.1 | Very low | 45.1 | Very low | 134 Ų | 134 | 148.4 Ų | 148.4 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | | | trans | -143.2 | 107.5 | 146.8 | 177.9 | 0 | 0 | 0 | 0 | 109.1 | P234 | P234-V236 PolarHBondContact O-N 2.82Š|
| 237 | E | 46.3 | Very low | 45.6 | Very low | 159 Ų | 159 | 145.6 Ų | 145.6 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | | | trans | -58 | 122.9 | 155.4 | -174.5 | 180 | -145.5 | 0 | 0 | 110.5 | | |
| 238 | K | 42.7 | Very low | 46.2 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 77% | 0.774 | 77% | 0.772 | S | S | * | * | | | trans | 174.1 | 134.9 | 130.3 | -97 | 166.7 | -174.2 | 173.3 | 0 | 115.3 | | |
| 239 | D | 41.6 | Very low | 46.9 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | | | trans | 69.1 | 124.5 | 143.3 | -75.3 | -30.6 | 0 | 0 | 0 | 122.6 | | |
| 240 | Q | 52.5 | Low | 47.5 | Very low | 180 Ų | 180 | 135 Ų | 135 | 84% | 0.841 | 75% | 0.749 | S | S | * | * | | | trans | -64.2 | 136.4 | 173.5 | -58 | 163.2 | 30.1 | 0 | 0 | 111.2 | | |
| 241 | V | 49.2 | Very low | 47.6 | Very low | 148 Ų | 148 | 139.9 Ų | 139.9 | 90% | 0.897 | 76% | 0.76 | S | S | * | * | | | trans | -145.9 | 130.8 | 137.1 | 175.9 | 0 | 0 | 0 | 0 | 109 | | |
| 242 | V | 48.5 | Very low | 47.9 | Very low | 134 Ų | 134 | 136.2 Ų | 136.2 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | | | trans | -57.8 | 133.4 | 176.2 | 172.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 243 | D | 49.4 | Very low | 48.2 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | | | trans | 173.9 | 106.7 | 130.7 | -154 | 24 | 0 | 0 | 0 | 106.6 | | |
| 244 | G | 52.7 | Low | 48.1 | Very low | 63 Ų | 63 | 133.6 Ų | 133.6 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | | | | 107 | 29.2 | 58.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 245 | V | 53.2 | Low | 47.8 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 66% | 0.661 | 76% | 0.755 | S | S | * | * | | | trans | -144.9 | 107.8 | 164.9 | -174.1 | 0 | 0 | 0 | 0 | 111.2 | H247 | V245-H247 WeakPolarHBondContact CG1-CE1 3.3Å; V245-H247 WeakPolarHBondContact CG1-NE2 3.43Å |
| 246 | D | 48.5 | Very low | 47.9 | Very low | 143 Ų | 143 | 132.8 Ų | 132.8 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | | | trans | -84.6 | 110.3 | 179.2 | -152.1 | -4.8 | 0 | 0 | 0 | 109.5 | | |
| 247 | H | 56.2 | Low | 47.9 | Very low | 126 Ų | 126 | 134.3 Ų | 134.3 | 58% | 0.583 | 75% | 0.752 | S | S | * | * | | | trans | -121.2 | 50.5 | 175.7 | -70 | -26.5 | 0 | 0 | 0 | 111 | V245 Y249 | V245-H247 WeakPolarHBondContact CG1-CE1 3.3Å; V245-H247 WeakPolarHBondContact CG1-NE2 3.43Å; H247-Y249 HydrophobicContact CB-CE1 4.16Å; H247-Y249 AromaticContact ND1-CE1 3.6Å; H247-Y249 AromaticContact ND1-CZ 3.72Å; H247-Y249 PolarHBondContact ND1-OH 3.09Å; H247-Y249 VanDerWaalsContact ND1-OH 3.13Å; H247-Y249 PolarHBondContact O-N 2.77Å |
| 248 | A | 53 | Low | 48 | Very low | 80 Ų | 80 | 132.2 Ų | 132.2 | 66% | 0.661 | 75% | 0.752 | S | S | * | * | | | trans | -94.5 | 49.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 249 | Y | 58 | Low | 47.8 | Very low | 182 Ų | 182 | 133.7 Ų | 133.7 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | | | trans | -106 | 9.4 | 177.2 | 36.1 | -99.9 | 0 | 0 | 0 | 115.4 | H247 | H247-Y249 HydrophobicContact CB-CE1 4.16Å; H247-Y249 AromaticContact ND1-CE1 3.6Å; H247-Y249 AromaticContact ND1-CZ 3.72Å; H247-Y249 PolarHBondContact ND1-OH 3.09Å; H247-Y249 VanDerWaalsContact ND1-OH 3.13Å; H247-Y249 PolarHBondContact O-N 2.77Å |
| 250 | A | 53.8 | Low | 47.7 | Very low | 79 Ų | 79 | 135.3 Ų | 135.3 | 65% | 0.653 | 76% | 0.761 | S | S | * | * | | | trans | -137.9 | 35.5 | -174 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 251 | H | 41.2 | Very low | 47.4 | Very low | 171 Ų | 171 | 131.6 Ų | 131.6 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | | | trans | -119.9 | 92.9 | 168.7 | -66 | -69.9 | 0 | 0 | 0 | 111.4 | S253 | H251-S253 VanDerWaalsContact C-N 3.34Å; H251-S253 PolarHBondContact O-N 2.98Å; H251-S253 VanDerWaalsContact O-N 3.14Å |
| 252 | S | 42.1 | Very low | 47.3 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | | | trans | -78.5 | 83 | 166.6 | -69.2 | 0 | 0 | 0 | 0 | 109.6 | V254 | S252-V254 PolarHBondContact O-N 3.37Š|
| 253 | S | 45 | Very low | 47 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | | | trans | -85.9 | 88.2 | 169.8 | -65.7 | 0 | 0 | 0 | 0 | 109.3 | H251 T255 | H251-S253 VanDerWaalsContact C-N 3.34Å; H251-S253 PolarHBondContact O-N 2.98Å; H251-S253 VanDerWaalsContact O-N 3.14Å; S253-T255 PolarHBondContact O-N 3.01Å |
| 254 | V | 42.3 | Very low | 46.5 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 76% | 0.758 | 76% | 0.764 | S | S | * | * | | | trans | -78.5 | 94.4 | 166.5 | 167.1 | 0 | 0 | 0 | 0 | 108 | S252 V256 | S252-V254 PolarHBondContact O-N 3.37Å; V254-V256 HydrophobicContact CG1-CG2 3.76Å; V254-V256 PolarHBondContact O-N 2.91Å |
| 255 | T | 40.6 | Very low | 46 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | | | trans | -80.5 | 98.7 | 166.1 | -57.9 | 0 | 0 | 0 | 0 | 108.5 | S253 Q257 | S253-T255 PolarHBondContact O-N 3.01Å; T255-Q257 PolarHBondContact O-N 3.14Å |
| 256 | V | 43.6 | Very low | 45.4 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | | | trans | -82.7 | 108.7 | 165 | 178.4 | 0 | 0 | 0 | 0 | 107.7 | V254 | V254-V256 HydrophobicContact CG1-CG2 3.76Å; V254-V256 PolarHBondContact O-N 2.91Å |
| 257 | Q | 45.6 | Very low | 45.7 | Very low | 167 Ų | 167 | 139.5 Ų | 139.5 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | | | trans | -70.5 | 141.6 | 165.7 | -90.5 | -159.8 | 5.2 | 0 | 0 | 110.7 | T255 | T255-Q257 PolarHBondContact O-N 3.14Š|
| 258 | P | 48.4 | Very low | 45 | Very low | 115 Ų | 115 | 141.4 Ų | 141.4 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | | | trans | -81.9 | 126.3 | 178.7 | 32.4 | -30.4 | 0 | 0 | 0 | 110.3 | Q260 | P258-Q260 PolarHBondContact O-N 2.91Š|
| 259 | K | 39.3 | Very low | 45.1 | Very low | 209 Ų | 209 | 143 Ų | 143 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | | | trans | -90.8 | 101.6 | 167.6 | -142 | 174.3 | -173.4 | 177.8 | 0 | 108.2 | A261 | K259-A261 PolarHBondContact O-N 3.34Š|
| 260 | Q | 38.9 | Very low | 44.7 | Very low | 181 Ų | 181 | 140 Ų | 140 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | | | trans | -62 | 127.8 | 168.7 | -77.4 | 179.4 | -27.9 | 0 | 0 | 109.5 | P258 | P258-Q260 PolarHBondContact O-N 2.91Š|
| 261 | A | 45.6 | Very low | 44.4 | Very low | 102 Ų | 102 | 142.1 Ų | 142.1 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | | | trans | -100.3 | 113.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | K259 | K259-A261 PolarHBondContact O-N 3.34Š|
| 262 | E | 48 | Very low | 44.6 | Very low | 189 Ų | 189 | 142.9 Ų | 142.9 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | | | trans | -69.2 | 148.9 | 173 | -81.2 | -172.4 | 146.4 | 0 | 0 | 112.1 | | |
| 263 | K | 40.8 | Very low | 44.8 | Very low | 185 Ų | 185 | 146 Ų | 146 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | -87.1 | 127.4 | -176.7 | -176.3 | -178.2 | -172.9 | 177.8 | 0 | 108.6 | | |
| 264 | T | 40.6 | Very low | 44.9 | Very low | 149 Ų | 149 | 146.8 Ų | 146.8 | 91% | 0.914 | 81% | 0.811 | S | S | * | * | | | trans | -140.6 | 135 | 157.3 | -60.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 265 | K | 42.3 | Very low | 44.6 | Very low | 174 Ų | 174 | 150.2 Ų | 150.2 | 76% | 0.757 | 82% | 0.818 | S | S | * | * | | | trans | -121 | 129 | -160.8 | -159 | -177.7 | -173.5 | -173.5 | 0 | 109.5 | | |
| 266 | S | 39.6 | Very low | 44.8 | Very low | 107 Ų | 107 | 148.4 Ų | 148.4 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | | | trans | 73.2 | 165.6 | 150.9 | 80.3 | 0 | 0 | 0 | 0 | 120.7 | | |
| 267 | P | 55.3 | Low | 44.8 | Very low | 117 Ų | 117 | 148.9 Ų | 148.9 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | | | cis | -132.9 | 166.1 | -33.7 | 26.9 | -5.2 | 0 | 0 | 0 | 115.7 | | |
| 268 | L | 42.2 | Very low | 44.5 | Very low | 165 Ų | 165 | 146 Ų | 146 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | | | trans | -28.5 | 172.9 | 165.9 | -76.1 | 152.9 | 0 | 0 | 0 | 120.2 | | |
| 269 | P | 53.3 | Low | 44.6 | Very low | 113 Ų | 113 | 146.1 Ų | 146.1 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | | | cis | -142.3 | -155.1 | 20.1 | 51.2 | -30.9 | 0 | 0 | 0 | 114.8 | | |
| 270 | P | 50.6 | Low | 44.9 | Very low | 121 Ų | 121 | 144.9 Ų | 144.9 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | | | | -103.6 | 155.2 | -128.6 | 31.9 | -9.8 | 0 | 0 | 0 | 114.7 | | |
| 271 | S | 47.4 | Very low | 45.3 | Very low | 122 Ų | 122 | 145.2 Ų | 145.2 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | | | trans | -135.4 | 115.7 | 164 | -164 | 0 | 0 | 0 | 0 | 109.7 | | |
| 272 | E | 46.2 | Very low | 45.2 | Very low | 188 Ų | 188 | 146.3 Ų | 146.3 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | | | trans | -68.6 | 122.3 | 174.8 | -68.6 | 171.8 | 137.3 | 0 | 0 | 110.1 | | |
| 273 | Q | 45.5 | Very low | 45.5 | Very low | 187 Ų | 187 | 142.6 Ų | 142.6 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | trans | -152.6 | 141.6 | 145.4 | -114.1 | -174.3 | -78.4 | 0 | 0 | 110.5 | | |
| 274 | P | 47.7 | Very low | 45.8 | Very low | 123 Ų | 123 | 140 Ų | 140 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | | | trans | -89.3 | 120.3 | -177.7 | 33.3 | -26.6 | 0 | 0 | 0 | 109.6 | | |
| 275 | E | 35.7 | Very low | 45.8 | Very low | 196 Ų | 196 | 137.8 Ų | 137.8 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | | | trans | -136 | 145.2 | 168.8 | -147.6 | 167 | -165.9 | 0 | 0 | 111.4 | | |
| 276 | A | 44.1 | Very low | 46 | Very low | 86 Ų | 86 | 136.2 Ų | 136.2 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -53 | 159 | -157.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | S278 | A276-S278 PolarHBondContact O-N 3.13Š|
| 277 | P | 44.3 | Very low | 46.9 | Very low | 131 Ų | 131 | 133.2 Ų | 133.2 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 118.3 | -179.9 | 27.3 | -33.5 | 0 | 0 | 0 | 111.6 | | |
| 278 | S | 39.4 | Very low | 47 | Very low | 107 Ų | 107 | 136 Ų | 136 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 140.7 | 166.6 | -176.8 | 0 | 0 | 0 | 0 | 110.2 | A276 E280 | A276-S278 PolarHBondContact O-N 3.13Å; S278-E280 PolarHBondContact O-N 3.24Å |
| 279 | P | 49.2 | Very low | 47.7 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 125 | -178.1 | 27 | -32.2 | 0 | 0 | 0 | 111.2 | Q281 | P279-Q281 PolarHBondContact O-N 3.02Š|
| 280 | E | 45.6 | Very low | 47.8 | Very low | 183 Ų | 183 | 138.1 Ų | 138.1 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | | | trans | -49.9 | 115.9 | 175.5 | -158.6 | 166.3 | -174.5 | 0 | 0 | 111.3 | S278 V282 | S278-E280 PolarHBondContact O-N 3.24Å; E280-V282 PolarHBondContact O-N 3.13Å; E280-V282 VanDerWaalsContact O-N 3.14Å |
| 281 | Q | 47.5 | Very low | 48.2 | Very low | 188 Ų | 188 | 137.4 Ų | 137.4 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | | | trans | -68 | 109.5 | 169.5 | -71.3 | -176.6 | 9.5 | 0 | 0 | 108.4 | P279 P283 | P279-Q281 PolarHBondContact O-N 3.02Å; Q281-P283 VanDerWaalsContact O-CD 3.3Å; Q281-P283 WeakPolarHBondContact O-CD 3.42Å |
| 282 | V | 43.5 | Very low | 48.8 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 76% | 0.758 | 79% | 0.785 | S | S | * | * | | | trans | -67.1 | 118.2 | 172.4 | -171.1 | 0 | 0 | 0 | 0 | 108 | E280 V284 | E280-V282 PolarHBondContact O-N 3.13Å; E280-V282 VanDerWaalsContact O-N 3.14Å; V282-V284 PolarHBondContact O-N 3.01Å |
| 283 | P | 55.4 | Low | 49.5 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | | | trans | -65.2 | 120 | 174.3 | 24.8 | -31.3 | 0 | 0 | 0 | 109.1 | Q281 C285 | Q281-P283 VanDerWaalsContact O-CD 3.3Å; Q281-P283 WeakPolarHBondContact O-CD 3.42Å; P283-C285 PolarHBondContact O-N 2.8Å |
| 284 | V | 45.5 | Very low | 50.3 | Low | 131 Ų | 131 | 134 Ų | 134 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | | | trans | -64.5 | 96.8 | 171.7 | 179.8 | 0 | 0 | 0 | 0 | 107.5 | V282 T286 | V282-V284 PolarHBondContact O-N 3.01Å; V284-T286 HydrophobicContact CG1-CG2 4.23Å; V284-T286 PolarHBondContact O-N 2.88Å |
| 285 | C | 41.2 | Very low | 50.8 | Low | 103 Ų | 103 | 137.1 Ų | 137.1 | 70% | 0.696 | 77% | 0.774 | S | S | * | * | | | trans | -85.8 | 94.1 | -179.6 | -153.7 | 0 | 0 | 0 | 0 | 108.7 | P283 G287 | P283-C285 PolarHBondContact O-N 2.8Å; C285-G287 PolarHBondContact O-N 3.13Å |
| 286 | T | 47.1 | Very low | 52.5 | Low | 140 Ų | 140 | 136.8 Ų | 136.8 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | | | trans | -78.9 | 40.7 | 174.4 | 42.9 | 0 | 0 | 0 | 0 | 112.7 | V284 | V284-T286 HydrophobicContact CG1-CG2 4.23Å; V284-T286 PolarHBondContact O-N 2.88Å |
| 287 | G | 58.8 | Low | 53.3 | Low | 45 Ų | 45 | 135.3 Ų | 135.3 | 46% | 0.464 | 75% | 0.753 | S | S | . | * | S | Bend | trans | -136 | 141.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | C285 R289 | C285-G287 PolarHBondContact O-N 3.13Å; G287-R289 PolarHBondContact O-N 3.38Å |
| 288 | I | 56.3 | Low | 53.7 | Low | 176 Ų | 176 | 135.4 Ų | 135.4 | 90% | 0.903 | 75% | 0.754 | S | S | * | * | | | trans | -59.6 | 102.1 | 177.4 | -39.2 | 172.4 | 0 | 0 | 0 | 107.7 | C290 | I288-C290 PolarHBondContact O-N 3.14Å; I288-C290 VanDerWaalsContact O-N 3.16Å |
| 289 | R | 58 | Low | 54.3 | Low | 219 Ų | 219 | 134.6 Ų | 134.6 | 83% | 0.826 | 75% | 0.749 | S | S | * | * | | | trans | -76 | 104.4 | -178.3 | -164.6 | -179.1 | -154.2 | -179.5 | 6.7 | 108.4 | G287 | G287-R289 PolarHBondContact O-N 3.38Š|
| 290 | C | 54.1 | Low | 54.7 | Low | 103 Ų | 103 | 137.7 Ų | 137.7 | 70% | 0.696 | 75% | 0.753 | S | S | * | * | | | trans | -58.4 | 137.6 | 169.3 | -64.1 | 0 | 0 | 0 | 0 | 109.3 | I288 T292 | I288-C290 PolarHBondContact O-N 3.14Å; I288-C290 VanDerWaalsContact O-N 3.16Å; C290-T292 PolarHBondContact O-N 3.09Å; C290-T292 VanDerWaalsContact O-N 3.14Å |
| 291 | P | 60.9 | Low | 55 | Low | 106 Ų | 106 | 136.7 Ų | 136.7 | 69% | 0.688 | 75% | 0.753 | S | S | * | * | | | trans | -61.5 | 119.4 | 176.2 | 23.3 | -30.6 | 0 | 0 | 0 | 109.3 | F293 | P291-F293 PolarHBondContact O-N 3.24Š|
| 292 | T | 58 | Low | 55.4 | Low | 132 Ų | 132 | 134.6 Ų | 134.6 | 81% | 0.81 | 74% | 0.743 | S | S | * | * | | | trans | -71.6 | 113.6 | 173.6 | -47.5 | 0 | 0 | 0 | 0 | 107.9 | C290 D294 | C290-T292 PolarHBondContact O-N 3.09Å; C290-T292 VanDerWaalsContact O-N 3.14Å; T292-D294 PolarHBondContact O-N 3.46Å |
| 293 | F | 61.1 | Low | 55.9 | Low | 185 Ų | 185 | 137.9 Ų | 137.9 | 81% | 0.811 | 75% | 0.747 | S | S | * | * | | | trans | -73.4 | 112.9 | 174.2 | -76.1 | -88.6 | 0 | 0 | 0 | 109.3 | P291 M295 | P291-F293 PolarHBondContact O-N 3.24Å; F293-M295 PolarHBondContact O-N 3.39Å |
| 294 | D | 62.7 | Low | 56.4 | Low | 108 Ų | 108 | 139.9 Ų | 139.9 | 58% | 0.578 | 75% | 0.745 | S | S | * | * | | | trans | -80.8 | 112.3 | 171 | -179.2 | 6.6 | 0 | 0 | 0 | 109.5 | T292 K296 S297 | T292-D294 PolarHBondContact O-N 3.46Å; D294-K296 PolarHBondContact O-N 3.39Å; D294-K296 VanDerWaalsContact O-N 3.15Å; D294-K296 WeakPolarHBondContact OD1-CB 3.47Å; D294-K296 PolarHBondContact OD1-N 2.76Å; D294-S297 PolarHBondContact O-N 2.8Å |
| 295 | M | 59.6 | Low | 56.9 | Low | 189 Ų | 189 | 136.5 Ų | 136.5 | 93% | 0.931 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -9.1 | 178.4 | -67.7 | -167.6 | 71 | 0 | 0 | 113.7 | F293 | F293-M295 PolarHBondContact O-N 3.39Š|
| 296 | K | 70.9 | Confident | 58.1 | Low | 188 Ų | 188 | 140.9 Ų | 140.9 | 82% | 0.817 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -1.4 | 178.1 | -61.1 | -169.5 | 178.6 | -177.2 | 0 | 113.6 | D294 P298 | D294-K296 PolarHBondContact O-N 3.39Å; D294-K296 VanDerWaalsContact O-N 3.15Å; D294-K296 WeakPolarHBondContact OD1-CB 3.47Å; D294-K296 PolarHBondContact OD1-N 2.76Å; K296-P298 WeakPolarHBondContact O-CD 3.35Å |
| 297 | S | 60 | Low | 58.4 | Low | 55 Ų | 55 | 145.2 Ų | 145.2 | 39% | 0.385 | 74% | 0.736 | S | S | . | * | | | trans | -79.2 | 118.8 | 179.8 | -162.6 | 0 | 0 | 0 | 0 | 110.8 | D294 S299 | D294-S297 PolarHBondContact O-N 2.8Å; S297-S299 PolarHBondContact O-N 3.01Å; S297-S299 PolarHBondContact OG-OG 2.94Å; S297-S299 VanDerWaalsContact OG-OG 3.09Å |
| 298 | P | 54 | Low | 58.1 | Low | 134 Ų | 134 | 150.2 Ų | 150.2 | 87% | 0.87 | 75% | 0.752 | S | S | * | * | | | trans | -75.8 | 15 | -177.4 | 32.3 | -33.9 | 0 | 0 | 0 | 113 | K296 Q300 | K296-P298 WeakPolarHBondContact O-CD 3.35Å; P298-Q300 VanDerWaalsContact C-N 3.29Å; P298-Q300 PolarHBondContact O-N 3.43Å |
| 299 | S | 50.8 | Low | 57.7 | Low | 90 Ų | 90 | 144.7 Ų | 144.7 | 63% | 0.629 | 74% | 0.738 | S | S | * | * | | | trans | -92.5 | 30.4 | -178.3 | 60.7 | 0 | 0 | 0 | 0 | 113.3 | S297 L301 | S297-S299 PolarHBondContact O-N 3.01Å; S297-S299 PolarHBondContact OG-OG 2.94Å; S297-S299 VanDerWaalsContact OG-OG 3.09Å; S299-L301 PolarHBondContact O-N 3.04Å |
| 300 | Q | 57.4 | Low | 57.6 | Low | 181 Ų | 181 | 145 Ų | 145 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | | | trans | -67.9 | 72.3 | 162.2 | -79.8 | -176.2 | -9.5 | 0 | 0 | 109.5 | P298 E302 | P298-Q300 VanDerWaalsContact C-N 3.29Å; P298-Q300 PolarHBondContact O-N 3.43Å; Q300-E302 PolarHBondContact O-N 3.44Å; Q300-E302 VanDerWaalsContact O-N 3.13Å |
| 301 | L | 52.4 | Low | 57.6 | Low | 163 Ų | 163 | 143.3 Ų | 143.3 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | | | trans | -65.8 | 107.9 | 154.5 | -126.8 | 96.6 | 0 | 0 | 0 | 105.3 | S299 F303 | S299-L301 PolarHBondContact O-N 3.04Å; L301-F303 PolarHBondContact O-N 2.85Å |
| 302 | E | 56 | Low | 57.2 | Low | 143 Ų | 143 | 148.8 Ų | 148.8 | 67% | 0.668 | 76% | 0.759 | S | S | * | * | | | trans | -45 | 101.8 | 169.6 | -71.8 | -177.8 | 160.6 | 0 | 0 | 109.1 | Q300 K304 | Q300-E302 PolarHBondContact O-N 3.44Å; Q300-E302 VanDerWaalsContact O-N 3.13Å; E302-K304 HydrophobicContact CB-CG 4.36Å; E302-K304 PolarHBondContact O-N 3.35Å; E302-K304 WeakPolarHBondContact OE2-CE 3.49Å; E302-K304 IonicContact OE2-NZ 3.05Å; E302-K304 PolarHBondContact OE2-NZ 3.17Å |
| 303 | F | 54.8 | Low | 57.1 | Low | 194 Ų | 194 | 146.1 Ų | 146.1 | 85% | 0.851 | 76% | 0.757 | S | S | * | * | | | trans | -72.6 | 82.7 | 170.8 | -164 | -93.5 | 0 | 0 | 0 | 106.6 | L301 P305 | L301-F303 PolarHBondContact O-N 2.85Å; F303-P305 WeakPolarHBondContact O-CD 3.22Å |
| 304 | K | 64.6 | Low | 56.2 | Low | 152 Ų | 152 | 142 Ų | 142 | 66% | 0.661 | 76% | 0.758 | S | S | * | * | | | trans | -75.5 | 110 | 171 | -75.1 | -169.2 | 172.9 | 155.7 | 0 | 107.5 | E302 Q306 | E302-K304 HydrophobicContact CB-CG 4.36Å; E302-K304 PolarHBondContact O-N 3.35Å; E302-K304 WeakPolarHBondContact OE2-CE 3.49Å; E302-K304 IonicContact OE2-NZ 3.05Å; E302-K304 PolarHBondContact OE2-NZ 3.17Å; K304-Q306 PolarHBondContact O-N 3.25Å |
| 305 | P | 56.9 | Low | 55.7 | Low | 60 Ų | 60 | 144.1 Ų | 144.1 | 39% | 0.39 | 77% | 0.774 | S | S | . | * | | | trans | -59.7 | 105 | 173.8 | 20.9 | -29.9 | 0 | 0 | 0 | 109.6 | F303 W307 L308 | F303-P305 WeakPolarHBondContact O-CD 3.22Å; P305-W307 HydrophobicContact CB-CG 4.35Å; P305-W307 PolarHBondContact O-N 3.29Å; P305-L308 PolarHBondContact O-N 3.02Å; P305-L308 VanDerWaalsContact O-N 3.13Å |
| 306 | Q | 66.9 | Low | 55 | Low | 196 Ų | 196 | 138.5 Ų | 138.5 | 92% | 0.916 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -4.6 | -178.2 | -167.4 | 172.8 | 1.2 | 0 | 0 | 113.7 | K304 L308 | K304-Q306 PolarHBondContact O-N 3.25Å; Q306-L308 VanDerWaalsContact C-N 3.34Å |
| 307 | W | 51.8 | Low | 53.7 | Low | 230 Ų | 230 | 137.4 Ų | 137.4 | 87% | 0.871 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -10 | 174.2 | 54.6 | -70.8 | 0 | 0 | 0 | 113.4 | P305 G309 | P305-W307 HydrophobicContact CB-CG 4.35Å; P305-W307 PolarHBondContact O-N 3.29Å; W307-G309 VanDerWaalsContact C-N 3.32Å; W307-G309 PolarHBondContact O-N 2.98Å |
| 308 | L | 53.1 | Low | 52.9 | Low | 150 Ų | 150 | 146.7 Ų | 146.7 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -78.4 | 90 | 166.2 | -157.7 | 71.7 | 0 | 0 | 0 | 108.2 | P305 Q306 K310 | P305-L308 PolarHBondContact O-N 3.02Å; P305-L308 VanDerWaalsContact O-N 3.13Å; Q306-L308 VanDerWaalsContact C-N 3.34Å; L308-K310 PolarHBondContact O-N 3.35Å |
| 309 | G | 47.6 | Very low | 52.4 | Low | 60 Ų | 60 | 145.1 Ų | 145.1 | 62% | 0.619 | 79% | 0.786 | S | S | * | * | | | trans | -45 | 129.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | W307 G311 | W307-G309 VanDerWaalsContact C-N 3.32Å; W307-G309 PolarHBondContact O-N 2.98Å; G309-G311 VanDerWaalsContact C-N 3.27Å; G309-G311 PolarHBondContact O-N 3.44Å |
| 310 | K | 55.5 | Low | 52.2 | Low | 226 Ų | 226 | 153.1 Ų | 153.1 | 98% | 0.983 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 85.9 | 173 | -157.4 | 142.4 | -179.2 | 174.1 | 0 | 108.3 | L308 | L308-K310 PolarHBondContact O-N 3.35Š|
| 311 | G | 53.7 | Low | 51.3 | Low | 67 Ų | 67 | 148.2 Ų | 148.2 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -171.9 | 0.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | G309 | G309-G311 VanDerWaalsContact C-N 3.27Å; G309-G311 PolarHBondContact O-N 3.44Å |
| 312 | F | 54.1 | Low | 51.1 | Low | 222 Ų | 222 | 147.4 Ų | 147.4 | 97% | 0.974 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -101.9 | 92.7 | 173.2 | -104.8 | -92.7 | 0 | 0 | 0 | 110.5 | | |
| 313 | G | 54.7 | Low | 50.3 | Low | 75 Ų | 75 | 149.6 Ų | 149.6 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | S | Bend | trans | 139.1 | 78.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 314 | A | 43.7 | Very low | 50 | Low | 99 Ų | 99 | 143.4 Ų | 143.4 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -178.8 | 104.2 | 143.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | G316 | A314-G316 PolarHBondContact O-N 2.82Å; A314-G316 VanDerWaalsContact O-N 3.15Å |
| 315 | T | 51.5 | Low | 48.9 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 93% | 0.933 | 81% | 0.811 | S | S | * | * | | | trans | -59.8 | 106.4 | 160.6 | 36.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 316 | G | 44.3 | Very low | 48.7 | Very low | 71 Ų | 71 | 150.2 Ų | 150.2 | 73% | 0.732 | 83% | 0.834 | S | S | * | * | | | trans | -115.4 | 103.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | A314 R318 | A314-G316 PolarHBondContact O-N 2.82Å; A314-G316 VanDerWaalsContact O-N 3.15Å; G316-R318 PolarHBondContact O-N 3.32Å |
| 317 | L | 43.9 | Very low | 48.2 | Very low | 165 Ų | 165 | 145 Ų | 145 | 86% | 0.864 | 83% | 0.832 | S | S | * | * | | | trans | -52.7 | 128.1 | 159.8 | -93.1 | 99.4 | 0 | 0 | 0 | 109 | | |
| 318 | R | 43 | Very low | 47.7 | Very low | 251 Ų | 251 | 139.4 Ų | 139.4 | 95% | 0.947 | 83% | 0.829 | S | S | * | * | | | trans | -130 | 117.7 | 143.9 | -79.8 | -164.1 | -177.3 | -128.3 | 1 | 110.1 | G316 | G316-R318 PolarHBondContact O-N 3.32Š|
| 319 | S | 44.3 | Very low | 47.5 | Very low | 101 Ų | 101 | 138 Ų | 138 | 71% | 0.706 | 83% | 0.832 | S | S | * | * | | | trans | -82.3 | 149.8 | 170.4 | 26.8 | 0 | 0 | 0 | 0 | 111 | | |
| 320 | R | 46.3 | Very low | 47.4 | Very low | 257 Ų | 257 | 139.9 Ų | 139.9 | 97% | 0.97 | 84% | 0.835 | S | S | * | * | | | trans | 67.1 | 127 | 162.9 | -81.2 | -169.5 | 174 | -151 | 0.5 | 120.4 | | |
| 321 | G | 39.1 | Very low | 47.2 | Very low | 79 Ų | 79 | 135.2 Ų | 135.2 | 81% | 0.814 | 83% | 0.828 | S | S | * | * | | | trans | 170.9 | 80.1 | 158 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q323 | G321-Q323 PolarHBondContact O-N 3.02Š|
| 322 | V | 47.2 | Very low | 46.9 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 88% | 0.879 | 84% | 0.835 | S | S | * | * | | | trans | -64.4 | 118.4 | 171.9 | 167.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 323 | Q | 39.9 | Very low | 46.4 | Very low | 190 Ų | 190 | 132.7 Ų | 132.7 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | | | trans | -174.9 | 131.2 | 133.4 | -119.7 | 172.8 | -33.6 | 0 | 0 | 110.7 | G321 | G321-Q323 PolarHBondContact O-N 3.02Š|
| 324 | G | 47.7 | Very low | 46 | Very low | 64 Ų | 64 | 135.6 Ų | 135.6 | 66% | 0.66 | 82% | 0.821 | S | S | * | * | | | trans | -79.2 | 163.1 | -163 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 325 | N | 41 | Very low | 46 | Very low | 155 Ų | 155 | 141.9 Ų | 141.9 | 83% | 0.829 | 82% | 0.823 | S | S | * | * | | | | -171.7 | 133 | 121.3 | -97.8 | -30.3 | 0 | 0 | 0 | 110.7 | | |
| 326 | K | 53.3 | Low | 45.6 | Very low | 200 Ų | 200 | 140.5 Ų | 140.5 | 87% | 0.87 | 81% | 0.814 | S | S | * | * | | | trans | 37 | 111.5 | 149.5 | -72.5 | 170.3 | 174.2 | 173.2 | 0 | 118.8 | | |
| 327 | G | 55.8 | Low | 45.4 | Very low | 85 Ų | 85 | 141.7 Ų | 141.7 | 88% | 0.876 | 82% | 0.817 | S | S | * | * | | | | 95.7 | 84.8 | 128.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 328 | S | 41.4 | Very low | 45.3 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | | | trans | -136.2 | 115.5 | 152.3 | 54.6 | 0 | 0 | 0 | 0 | 109.1 | S330 | S328-S330 PolarHBondContact O-N 2.95Š|
| 329 | S | 50 | Low | 45.6 | Very low | 121 Ų | 121 | 136 Ų | 136 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | trans | -72.6 | 117.5 | 171.8 | 63.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 330 | S | 45.4 | Very low | 45.5 | Very low | 98 Ų | 98 | 138.4 Ų | 138.4 | 69% | 0.685 | 81% | 0.807 | S | S | * | * | | | trans | -85 | 130.9 | 163.1 | -67.4 | 0 | 0 | 0 | 0 | 109.3 | S328 L332 | S328-S330 PolarHBondContact O-N 2.95Å; S330-L332 VanDerWaalsContact C-N 3.26Å; S330-L332 PolarHBondContact O-N 3.44Å |
| 331 | P | 51 | Low | 45.4 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -81.7 | 12 | -175.1 | 32 | -34.6 | 0 | 0 | 0 | 115 | | |
| 332 | L | 48.2 | Very low | 45.7 | Very low | 160 Ų | 160 | 133 Ų | 133 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | | | trans | -134.1 | 48.8 | -173.6 | -76.1 | 165.8 | 0 | 0 | 0 | 112.9 | S330 | S330-L332 VanDerWaalsContact C-N 3.26Å; S330-L332 PolarHBondContact O-N 3.44Å |
| 333 | A | 42.3 | Very low | 45.7 | Very low | 77 Ų | 77 | 133 Ų | 133 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | | | trans | -104.3 | 94 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | R335 | A333-R335 PolarHBondContact O-N 3.26Š|
| 334 | V | 47.6 | Very low | 46.2 | Very low | 135 Ų | 135 | 132.8 Ų | 132.8 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -64.6 | 100.2 | 165.5 | 177.7 | 0 | 0 | 0 | 0 | 107.1 | V336 | V334-V336 PolarHBondContact O-N 3.24Š|
| 335 | R | 42.7 | Very low | 46.4 | Very low | 231 Ų | 231 | 137 Ų | 137 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | | | trans | -79.5 | 104.3 | 170.5 | -68.3 | -173 | -179.8 | -137 | 0.3 | 107.9 | A333 A337 | A333-R335 PolarHBondContact O-N 3.26Å; R335-A337 PolarHBondContact O-N 3.17Å; R335-A337 VanDerWaalsContact O-N 3.14Å |
| 336 | V | 43.8 | Very low | 47 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 75% | 0.745 | 80% | 0.799 | S | S | * | * | | | trans | -63.7 | 108.2 | 161 | 178 | 0 | 0 | 0 | 0 | 107 | V334 V338 | V334-V336 PolarHBondContact O-N 3.24Å; V336-V338 PolarHBondContact O-N 3.13Å |
| 337 | A | 39.2 | Very low | 46.6 | Very low | 96 Ų | 96 | 134 Ų | 134 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | | | trans | -78.7 | 100 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109 | R335 K339 | R335-A337 PolarHBondContact O-N 3.17Å; R335-A337 VanDerWaalsContact O-N 3.14Å; A337-K339 PolarHBondContact O-N 3.45Å |
| 338 | V | 41.7 | Very low | 45.9 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 70% | 0.697 | 80% | 0.795 | S | S | * | * | | | trans | -73.8 | 112.9 | 163.5 | 176.8 | 0 | 0 | 0 | 0 | 107.5 | V336 N340 | V336-V338 PolarHBondContact O-N 3.13Å; V338-N340 PolarHBondContact O-N 3.38Å; V338-N340 VanDerWaalsContact O-N 3.17Å |
| 339 | K | 49.1 | Very low | 46.3 | Very low | 182 Ų | 182 | 138.9 Ų | 138.9 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | | | trans | -74.9 | 95.8 | 178.2 | -174.2 | 176.5 | -179.8 | -178.9 | 0 | 109.2 | A337 | A337-K339 PolarHBondContact O-N 3.45Š|
| 340 | N | 41.9 | Very low | 45.7 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | | | trans | -85.5 | 120.8 | 166.4 | -78.7 | -31.1 | 0 | 0 | 0 | 109.8 | V338 | V338-N340 PolarHBondContact O-N 3.38Å; V338-N340 VanDerWaalsContact O-N 3.17Å |
| 341 | I | 45.1 | Very low | 45.8 | Very low | 158 Ų | 158 | 141.4 Ų | 141.4 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | | | trans | -84.5 | 130.7 | 173.3 | -70.5 | 157.2 | 0 | 0 | 0 | 107.8 | | |
| 342 | G | 45.9 | Very low | 45.2 | Very low | 65 Ų | 65 | 143.2 Ų | 143.2 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | | | trans | 110.4 | 92.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 343 | N | 46 | Very low | 45.2 | Very low | 145 Ų | 145 | 144.2 Ų | 144.2 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | | | | -171.4 | 141 | 109.8 | 60.7 | 53.8 | 0 | 0 | 0 | 110.7 | | |
| 344 | E | 51.8 | Low | 45.5 | Very low | 185 Ų | 185 | 149.9 Ų | 149.9 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | | | trans | -88.4 | 119.4 | 174.5 | -58.2 | 176.1 | 172.5 | 0 | 0 | 107.2 | | |
| 345 | N | 51.1 | Low | 45.8 | Very low | 153 Ų | 153 | 151.9 Ų | 151.9 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | -143.2 | 119.2 | 157.9 | -88.9 | -46.5 | 0 | 0 | 0 | 110.5 | | |
| 346 | K | 54.8 | Low | 45.8 | Very low | 215 Ų | 215 | 144.4 Ų | 144.4 | 94% | 0.935 | 80% | 0.804 | S | S | * | * | | | trans | -68.4 | 130.1 | 177.6 | -64.4 | -165.2 | 174.4 | -170.9 | 0 | 110 | | |
| 347 | G | 43.5 | Very low | 46.1 | Very low | 77 Ų | 77 | 143.9 Ų | 143.9 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | | | trans | -150.3 | 107.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 348 | Q | 41.5 | Very low | 46.5 | Very low | 187 Ų | 187 | 145.2 Ų | 145.2 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | | | trans | -69.5 | 138.3 | -173.9 | -82.7 | -177.7 | -37.7 | 0 | 0 | 114.5 | | |
| 349 | S | 49.3 | Very low | 46.9 | Very low | 114 Ų | 114 | 144.1 Ų | 144.1 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | | | trans | 40.7 | 135.1 | 133.1 | 70.9 | 0 | 0 | 0 | 0 | 123.8 | | |
| 350 | G | 38.9 | Very low | 47 | Very low | 73 Ų | 73 | 140.4 Ų | 140.4 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | | | trans | 123.1 | 134.1 | 149.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 351 | K | 45.5 | Very low | 47.6 | Very low | 199 Ų | 199 | 136.3 Ų | 136.3 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | | | cis | -158.1 | 133.9 | 8.2 | -89 | -173.1 | 179.3 | 178.5 | 0 | 105.6 | | |
| 352 | L | 40.3 | Very low | 48 | Very low | 165 Ų | 165 | 133.5 Ų | 133.5 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | | | | 90.5 | 130.5 | 104.1 | -152.3 | 137.2 | 0 | 0 | 0 | 115 | | |
| 353 | K | 47.7 | Very low | 48.4 | Very low | 181 Ų | 181 | 136.7 Ų | 136.7 | 79% | 0.787 | 76% | 0.761 | S | S | * | * | | | trans | -39.1 | 141.5 | -171.4 | -68.4 | -160.5 | 173.2 | -170.6 | 0 | 117.5 | | |
| 354 | Q | 47.1 | Very low | 48.9 | Very low | 197 Ų | 197 | 135 Ų | 135 | 92% | 0.921 | 75% | 0.749 | S | S | * | * | | | | -131.8 | 116.5 | 129.6 | -157.5 | 171 | -12.2 | 0 | 0 | 110.3 | G356 | Q354-G356 PolarHBondContact O-N 3.26Š|
| 355 | K | 53.9 | Low | 49.2 | Very low | 177 Ų | 177 | 131.2 Ų | 131.2 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | | | trans | -77.9 | 93.5 | 178 | -173 | -173.7 | -178.1 | -161.2 | 0 | 107.4 | | |
| 356 | G | 44.2 | Very low | 49.3 | Very low | 73 Ų | 73 | 129.6 Ų | 129.6 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | | | trans | -96.9 | 107.5 | 167 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q354 | Q354-G356 PolarHBondContact O-N 3.26Š|
| 357 | T | 49.9 | Very low | 49.4 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 69% | 0.687 | 72% | 0.716 | S | S | * | * | | | trans | -62.6 | 132.3 | 176.8 | 33.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 358 | E | 46.9 | Very low | 50 | Low | 124 Ų | 124 | 130.4 Ų | 130.4 | 58% | 0.579 | 71% | 0.707 | S | S | * | * | | | trans | 63.1 | 92.9 | 148.8 | -78 | 179 | 137.2 | 0 | 0 | 118.4 | R360 | E358-R360 HydrophobicContact CB-CG 4.03Å; E358-R360 HydrophobicContact CG-CG 4.32Å; E358-R360 PolarHBondContact O-N 3.03Å; E358-R360 IonicContact OE1-CZ 2.94Å; E358-R360 VanDerWaalsContact OE1-CZ 3.25Å; E358-R360 IonicContact OE1-NE 2.79Å; E358-R360 PolarHBondContact OE1-NE 3.17Å; E358-R360 IonicContact OE1-NH2 3.25Å; E358-R360 PolarHBondContact OE1-NH2 3.29Å; E358-R360 IonicContact OE2-CZ 3.3Å; E358-R360 IonicContact OE2-NE 3.25Å; E358-R360 PolarHBondContact OE2-NE 2.85Å; E358-R360 IonicContact OE2-NH2 3.43Å; E358-R360 PolarHBondContact OE2-NH2 2.91Å |
| 359 | G | 50.6 | Low | 50.7 | Low | 93 Ų | 93 | 126.6 Ų | 126.6 | 96% | 0.959 | 70% | 0.697 | S | S | * | * | | | trans | -67.3 | 71.6 | 145.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 360 | R | 51.8 | Low | 50.7 | Low | 104 Ų | 104 | 127.4 Ų | 127.4 | 39% | 0.392 | 69% | 0.692 | S | S | . | * | | | trans | -72.8 | 126.2 | 169.7 | -86.4 | 173.5 | -174.6 | -154.9 | 6.1 | 108.9 | E358 E368 | E358-R360 HydrophobicContact CB-CG 4.03Å; E358-R360 HydrophobicContact CG-CG 4.32Å; E358-R360 PolarHBondContact O-N 3.03Å; E358-R360 IonicContact OE1-CZ 2.94Å; E358-R360 VanDerWaalsContact OE1-CZ 3.25Å; E358-R360 IonicContact OE1-NE 2.79Å; E358-R360 PolarHBondContact OE1-NE 3.17Å; E358-R360 IonicContact OE1-NH2 3.25Å; E358-R360 PolarHBondContact OE1-NH2 3.29Å; E358-R360 IonicContact OE2-CZ 3.3Å; E358-R360 IonicContact OE2-NE 3.25Å; E358-R360 PolarHBondContact OE2-NE 2.85Å; E358-R360 IonicContact OE2-NH2 3.43Å; E358-R360 PolarHBondContact OE2-NH2 2.91Å; R360-E368 IonicContact NH1-OE1 3.83Å; R360-E368 PolarHBondContact NH1-OE1 3.09Å; R360-E368 IonicContact NH1-OE2 3.77Å; R360-E368 PolarHBondContact NH1-OE2 2.88Å |
| 361 | S | 54.4 | Low | 51.2 | Low | 65 Ų | 65 | 128.2 Ų | 128.2 | 46% | 0.455 | 69% | 0.687 | S | S | . | * | | | trans | -58.2 | 134.3 | 174.6 | -166.8 | 0 | 0 | 0 | 0 | 109.4 | L363 Q364 | S361-L363 PolarHBondContact O-N 3.15Å; S361-Q364 PolarHBondContact O-N 2.97Å |
| 362 | P | 53 | Low | 51.5 | Low | 99 Ų | 99 | 124.9 Ų | 124.9 | 64% | 0.643 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -58.5 | -17.1 | -173.4 | 16.8 | -28.2 | 0 | 0 | 0 | 114.5 | Q364 | P362-Q364 VanDerWaalsContact C-N 3.35Å |
| 363 | L | 54.5 | Low | 52.1 | Low | 132 Ų | 132 | 127.7 Ų | 127.7 | 69% | 0.691 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -73.2 | -21 | 175.6 | -66.9 | 171.9 | 0 | 0 | 0 | 114.2 | S361 | S361-L363 PolarHBondContact O-N 3.15Å |
| 364 | Q | 56.9 | Low | 52.1 | Low | 111 Ų | 111 | 126.2 Ų | 126.2 | 52% | 0.519 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -80.3 | -26.9 | -179.9 | -81.6 | 174.9 | -50.1 | 0 | 0 | 113.1 | S361 P362 L366 K367 | S361-Q364 PolarHBondContact O-N 2.97Å; P362-Q364 VanDerWaalsContact C-N 3.35Å; Q364-L366 PolarHBondContact O-N 3.08Å; Q364-K367 PolarHBondContact O-N 3.45Å; Q364-K367 VanDerWaalsContact O-N 3.17Å |
| 365 | I | 56.9 | Low | 52.2 | Low | 104 Ų | 104 | 126.2 Ų | 126.2 | 53% | 0.533 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -65.4 | -30.6 | 179.6 | -59.6 | 172.2 | 0 | 0 | 0 | 110.9 | K367 | I365-K367 VanDerWaalsContact C-N 3.28Å; I365-K367 PolarHBondContact O-N 3.01Å |
| 366 | L | 53.2 | Low | 52 | Low | 120 Ų | 120 | 129 Ų | 129 | 63% | 0.628 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -72.5 | -14.8 | 178.3 | -89.2 | 150.1 | 0 | 0 | 0 | 114.5 | Q364 | Q364-L366 PolarHBondContact O-N 3.08Å |
| 367 | K | 57.4 | Low | 52.3 | Low | 177 Ų | 177 | 130.1 Ų | 130.1 | 77% | 0.77 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -91.8 | -27.9 | 178.5 | -77.2 | -166.8 | 165.6 | -172.5 | 0 | 113.6 | Q364 I365 | Q364-K367 PolarHBondContact O-N 3.45Å; Q364-K367 VanDerWaalsContact O-N 3.17Å; I365-K367 VanDerWaalsContact C-N 3.28Å; I365-K367 PolarHBondContact O-N 3.01Å |
| 368 | E | 56.6 | Low | 52.4 | Low | 131 Ų | 131 | 134 Ų | 134 | 61% | 0.612 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -78.5 | -22.3 | -173.8 | -73.8 | -179.9 | 163.9 | 0 | 0 | 113.3 | R360 | R360-E368 IonicContact NH1-OE1 3.83Å; R360-E368 PolarHBondContact NH1-OE1 3.09Å; R360-E368 IonicContact NH1-OE2 3.77Å; R360-E368 PolarHBondContact NH1-OE2 2.88Å |
| 369 | T | 54.8 | Low | 52.4 | Low | 108 Ų | 108 | 133.8 Ų | 133.8 | 66% | 0.663 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 6.3 | -174.6 | 64.2 | 0 | 0 | 0 | 0 | 115.1 | | |
| 370 | N | 50.2 | Low | 52.3 | Low | 130 Ų | 130 | 138.1 Ų | 138.1 | 70% | 0.695 | 70% | 0.7 | S | S | * | * | | | trans | -124.4 | 23.9 | -174.6 | -94.9 | -36.9 | 0 | 0 | 0 | 114.5 | | |
| 371 | S | 50 | Low | 52.1 | Low | 91 Ų | 91 | 139.1 Ų | 139.1 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | | | trans | -99 | 112.5 | 170.5 | -168 | 0 | 0 | 0 | 0 | 110.1 | R373 | S371-R373 VanDerWaalsContact C-N 3.31Å; S371-R373 PolarHBondContact O-N 2.82Å |
| 372 | P | 51.6 | Low | 51.6 | Low | 128 Ų | 128 | 139 Ų | 139 | 83% | 0.831 | 73% | 0.726 | S | S | * | * | | | trans | -78.2 | 85.3 | 175.7 | 32 | -29.8 | 0 | 0 | 0 | 108.1 | D374 | P372-D374 PolarHBondContact O-N 3.45Š|
| 373 | R | 51.6 | Low | 51.2 | Low | 224 Ų | 224 | 141.2 Ų | 141.2 | 85% | 0.845 | 73% | 0.733 | S | S | * | * | | | trans | -85.1 | 105.9 | 176.2 | -144 | 176.8 | -159.6 | 173.5 | 5.6 | 109.4 | S371 | S371-R373 VanDerWaalsContact C-N 3.31Å; S371-R373 PolarHBondContact O-N 2.82Å |
| 374 | D | 49.4 | Very low | 50.9 | Low | 150 Ų | 150 | 146 Ų | 146 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | | | trans | 33.3 | 86 | 154.8 | -73.1 | -38 | 0 | 0 | 0 | 117.6 | P372 R376 | P372-D374 PolarHBondContact O-N 3.45Å; D374-R376 PolarHBondContact O-N 3.37Å |
| 375 | Q | 48.7 | Very low | 50.5 | Low | 198 Ų | 198 | 150.7 Ų | 150.7 | 93% | 0.925 | 76% | 0.758 | S | S | * | * | | | trans | -75.1 | 86.9 | 150.5 | -73 | -166.9 | 24.5 | 0 | 0 | 108.6 | S377 | Q375-S377 PolarHBondContact O-N 3.31Š|
| 376 | R | 49.6 | Very low | 50.4 | Low | 234 Ų | 234 | 150.1 Ų | 150.1 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | | | trans | -63.6 | 103.2 | 168.3 | -162 | 178.6 | -169 | -175.8 | 3.5 | 108 | D374 Q378 | D374-R376 PolarHBondContact O-N 3.37Å; R376-Q378 PolarHBondContact O-N 2.98Å |
| 377 | S | 50.7 | Low | 50.2 | Low | 98 Ų | 98 | 151.2 Ų | 151.2 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | | | trans | -58.6 | 116.2 | 171.3 | 43.6 | 0 | 0 | 0 | 0 | 109.5 | Q375 V379 | Q375-S377 PolarHBondContact O-N 3.31Å; S377-V379 VanDerWaalsContact C-N 3.33Å; S377-V379 PolarHBondContact O-N 3.02Å |
| 378 | Q | 51 | Low | 50.1 | Low | 194 Ų | 194 | 147.6 Ų | 147.6 | 91% | 0.907 | 78% | 0.778 | S | S | * | * | | | trans | -71.9 | 95.6 | 162.8 | -74.9 | -166.9 | -3.5 | 0 | 0 | 107.5 | R376 Q380 | R376-Q378 PolarHBondContact O-N 2.98Å; Q378-Q380 PolarHBondContact O-N 3.45Å; Q378-Q380 VanDerWaalsContact O-N 3.16Å |
| 379 | V | 46.8 | Very low | 50 | Low | 118 Ų | 118 | 148.4 Ų | 148.4 | 72% | 0.715 | 79% | 0.785 | S | S | * | * | | | trans | -75.7 | 99 | 166 | -171.2 | 0 | 0 | 0 | 0 | 106.6 | S377 T381 | S377-V379 VanDerWaalsContact C-N 3.33Å; S377-V379 PolarHBondContact O-N 3.02Å; V379-T381 PolarHBondContact O-N 3.16Å; V379-T381 VanDerWaalsContact O-N 3.17Å |
| 380 | Q | 49.8 | Very low | 50.2 | Low | 185 Ų | 185 | 149.4 Ų | 149.4 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | | | trans | -67.7 | 107.3 | 171.9 | -165.8 | 164.2 | 6.6 | 0 | 0 | 107.8 | Q378 G382 | Q378-Q380 PolarHBondContact O-N 3.45Å; Q378-Q380 VanDerWaalsContact O-N 3.16Å; Q380-G382 PolarHBondContact O-N 3.05Å; Q380-G382 VanDerWaalsContact O-N 3.09Å |
| 381 | T | 47.1 | Very low | 50.3 | Low | 124 Ų | 124 | 152.3 Ų | 152.3 | 76% | 0.761 | 82% | 0.822 | S | S | * | * | | | trans | -66.3 | 105.5 | 176.1 | 10.2 | 0 | 0 | 0 | 0 | 108.6 | V379 N383 | V379-T381 PolarHBondContact O-N 3.16Å; V379-T381 VanDerWaalsContact O-N 3.17Å; T381-N383 PolarHBondContact O-N 3.09Å |
| 382 | G | 43.8 | Very low | 50.3 | Low | 62 Ų | 62 | 155.4 Ų | 155.4 | 64% | 0.639 | 83% | 0.831 | S | S | * | * | | | trans | -68.7 | 117.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q380 Y384 | Q380-G382 PolarHBondContact O-N 3.05Å; Q380-G382 VanDerWaalsContact O-N 3.09Å; G382-Y384 PolarHBondContact O-N 3.2Å |
| 383 | N | 45.8 | Very low | 50.3 | Low | 146 Ų | 146 | 156.8 Ų | 156.8 | 78% | 0.781 | 83% | 0.831 | S | S | * | * | | | trans | -63 | 116.8 | 172.8 | -75.6 | -38.9 | 0 | 0 | 0 | 110 | T381 Y385 | T381-N383 PolarHBondContact O-N 3.09Å; N383-Y385 PolarHBondContact O-N 3.5Å |
| 384 | Y | 47.7 | Very low | 50.2 | Low | 233 Ų | 233 | 153.1 Ų | 153.1 | 91% | 0.914 | 83% | 0.83 | S | S | * | * | | | trans | -69 | 109.2 | 164.6 | -82.7 | -95.4 | 0 | 0 | 0 | 109 | G382 | G382-Y384 PolarHBondContact O-N 3.2Š|
| 385 | Y | 49.1 | Very low | 50.2 | Low | 210 Ų | 210 | 153.3 Ų | 153.3 | 82% | 0.824 | 83% | 0.832 | S | S | * | * | | | trans | -94.2 | 108.5 | 158.5 | -94.8 | -86.8 | 0 | 0 | 0 | 108.5 | N383 N387 | N383-Y385 PolarHBondContact O-N 3.5Å; Y385-N387 PolarHBondContact O-N 3.5Å |
| 386 | A | 54.4 | Low | 50.3 | Low | 92 Ų | 92 | 150.5 Ų | 150.5 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | | | trans | -68.9 | 121.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 387 | N | 48.8 | Very low | 50.4 | Low | 142 Ų | 142 | 144.9 Ų | 144.9 | 76% | 0.759 | 82% | 0.822 | S | S | * | * | | | trans | -123.5 | 89.5 | 159.4 | -92.5 | -30.1 | 0 | 0 | 0 | 107.3 | Y385 I389 | Y385-N387 PolarHBondContact O-N 3.5Å; N387-I389 PolarHBondContact O-N 3.38Å |
| 388 | A | 54.6 | Low | 50.4 | Low | 102 Ų | 102 | 148.3 Ų | 148.3 | 84% | 0.843 | 83% | 0.832 | S | S | * | * | | | trans | -81 | 97.6 | 159.2 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 389 | I | 55.8 | Low | 50.3 | Low | 148 Ų | 148 | 144.8 Ų | 144.8 | 76% | 0.759 | 83% | 0.826 | S | S | * | * | | | trans | -97 | 116 | 167.1 | -65.7 | 178.8 | 0 | 0 | 0 | 107.3 | N387 | N387-I389 PolarHBondContact O-N 3.38Š|
| 390 | V | 57.2 | Low | 50.6 | Low | 128 Ų | 128 | 147 Ų | 147 | 78% | 0.776 | 84% | 0.835 | S | S | * | * | | | trans | -58.9 | 129.3 | 166.8 | 173.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 391 | S | 53.4 | Low | 50.7 | Low | 192 Ų | 192 | 143.5 Ų | 143.5 | 100% | 1.343 | 83% | 0.833 | S | S | * | * | | | trans | -171.6 | 0 | 135.1 | -76.5 | 0 | 0 | 0 | 0 | 110 | | |