| 1 | M | 44.2 | Very low | 52 | Low | 230 Ų | 230 | 138.8 Ų | 138.8 | 100% | 1.133 | 82% | 0.821 | S | S | * | * | | | | 0 | 94.6 | 0 | -100.5 | -162.6 | 159.7 | 0 | 0 | 104 | | |
| 2 | D | 50.6 | Low | 52.7 | Low | 161 Ų | 161 | 137.3 Ų | 137.3 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | | | trans | -134.2 | 77.1 | -177.6 | -64.9 | -79.3 | 0 | 0 | 0 | 107.5 | Q4 | D2-Q4 PolarHBondContact O-N 3.38Š|
| 3 | S | 50.3 | Low | 53.6 | Low | 129 Ų | 129 | 135.4 Ų | 135.4 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | | | trans | -79.6 | 97.1 | 165.3 | -65.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 4 | Q | 54.3 | Low | 54.2 | Low | 196 Ų | 196 | 136.5 Ų | 136.5 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | | | trans | -105.5 | 137.4 | 164.9 | -119.4 | 177.7 | -1.8 | 0 | 0 | 110.3 | D2 | D2-Q4 PolarHBondContact O-N 3.38Š|
| 5 | N | 47 | Very low | 54.9 | Low | 145 Ų | 145 | 138.8 Ų | 138.8 | 78% | 0.775 | 81% | 0.812 | S | S | * | * | | | trans | -79.5 | 130.2 | -149.5 | -149.7 | -44.4 | 0 | 0 | 0 | 113.1 | N7 | N5-N7 PolarHBondContact O-N 3.09Š|
| 6 | P | 54.2 | Low | 55.2 | Low | 122 Ų | 122 | 138.1 Ų | 138.1 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | | | trans | -85.9 | 94.8 | 174.4 | 32.4 | -31.6 | 0 | 0 | 0 | 111.1 | | |
| 7 | N | 50 | Low | 55.5 | Low | 125 Ų | 125 | 136 Ų | 136 | 67% | 0.668 | 80% | 0.804 | S | S | * | * | | | trans | -151.5 | 69.6 | 167.1 | -152.8 | -15.3 | 0 | 0 | 0 | 111.6 | N5 | N5-N7 PolarHBondContact O-N 3.09Š|
| 8 | V | 55.7 | Low | 56 | Low | 144 Ų | 144 | 134.7 Ų | 134.7 | 87% | 0.873 | 80% | 0.8 | S | S | * | * | | | trans | -109.1 | 90.7 | 165.3 | -177.5 | 0 | 0 | 0 | 0 | 107 | A10 | V8-A10 VanDerWaalsContact O-N 3.09Å; V8-A10 PolarHBondContact O-N 3.34Å |
| 9 | V | 55.3 | Low | 56.2 | Low | 125 Ų | 125 | 133.3 Ų | 133.3 | 76% | 0.758 | 80% | 0.798 | S | S | * | * | | | trans | -65.1 | 99.9 | 169.7 | 163.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 10 | A | 59 | Low | 56.3 | Low | 94 Ų | 94 | 132.8 Ų | 132.8 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | | | trans | -94.8 | 82.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | V8 | V8-A10 VanDerWaalsContact O-N 3.09Å; V8-A10 PolarHBondContact O-N 3.34Å |
| 11 | G | 51.2 | Low | 56.5 | Low | 56 Ų | 56 | 130.5 Ų | 130.5 | 58% | 0.577 | 79% | 0.79 | S | S | * | * | | | trans | -71.9 | 140.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | S13 | G11-S13 PolarHBondContact O-N 3.21Š|
| 12 | P | 61 | Low | 57.4 | Low | 121 Ų | 121 | 125.6 Ų | 125.6 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | | | trans | -68.9 | 120.3 | -177.9 | 26.2 | -32.3 | 0 | 0 | 0 | 111.3 | I14 | P12-I14 PolarHBondContact O-N 3.3Š|
| 13 | S | 64.1 | Low | 58 | Low | 112 Ų | 112 | 125.6 Ų | 125.6 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | | | trans | -71.8 | 103.6 | 176 | -171.4 | 0 | 0 | 0 | 0 | 109.6 | G11 E15 | G11-S13 PolarHBondContact O-N 3.21Å; S13-E15 PolarHBondContact O-N 3.37Å |
| 14 | I | 61.8 | Low | 58.7 | Low | 151 Ų | 151 | 131 Ų | 131 | 77% | 0.774 | 78% | 0.775 | S | S | * | * | | | trans | -81.4 | 105.3 | 174.3 | 51.5 | 165.5 | 0 | 0 | 0 | 109.8 | P12 T16 | P12-I14 PolarHBondContact O-N 3.3Å; I14-T16 PolarHBondContact O-N 3.31Å |
| 15 | E | 64.5 | Low | 59.4 | Low | 171 Ų | 171 | 125.1 Ų | 125.1 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | | | trans | -72.6 | 112.5 | 174.7 | -61.6 | -169.4 | 113.7 | 0 | 0 | 110.1 | S13 | S13-E15 PolarHBondContact O-N 3.37Š|
| 16 | T | 59.6 | Low | 60.5 | Low | 127 Ų | 127 | 122.9 Ų | 122.9 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | | | trans | -99 | 88.4 | 163.5 | 55.2 | 0 | 0 | 0 | 0 | 108 | I14 P18 | I14-T16 PolarHBondContact O-N 3.31Å; T16-P18 WeakPolarHBondContact O-CD 3.49Å |
| 17 | S | 61.5 | Low | 61.6 | Low | 103 Ų | 103 | 123.5 Ų | 123.5 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | | | trans | -63.3 | 124.9 | 171 | -59.4 | 0 | 0 | 0 | 0 | 109.3 | S19 | S17-S19 PolarHBondContact O-N 3.26Š|
| 18 | P | 63.8 | Low | 62.9 | Low | 113 Ų | 113 | 126 Ų | 126 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | | | trans | -65 | 123.7 | 175.7 | 25.4 | -31.4 | 0 | 0 | 0 | 108.8 | T16 C20 | T16-P18 WeakPolarHBondContact O-CD 3.49Å; P18-C20 PolarHBondContact O-N 2.86Å |
| 19 | S | 60.4 | Low | 63.8 | Low | 107 Ų | 107 | 129.8 Ų | 129.8 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | | | trans | -63.9 | 109.3 | 178.6 | 79.6 | 0 | 0 | 0 | 0 | 109.1 | S17 S21 | S17-S19 PolarHBondContact O-N 3.26Å; S19-S21 PolarHBondContact O-N 2.98Å |
| 20 | C | 57.3 | Low | 64.7 | Low | 124 Ų | 124 | 135.5 Ų | 135.5 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | | | trans | -74 | 63.7 | 173.9 | -68.3 | 0 | 0 | 0 | 0 | 110.4 | P18 P22 | P18-C20 PolarHBondContact O-N 2.86Å; C20-P22 WeakPolarHBondContact O-CD 3.38Å |
| 21 | S | 60.2 | Low | 65.4 | Low | 84 Ų | 84 | 138.4 Ų | 138.4 | 59% | 0.587 | 77% | 0.768 | S | S | * | * | | | trans | -75.1 | 120.9 | 161.2 | -67.6 | 0 | 0 | 0 | 0 | 106.8 | S19 L23 | S19-S21 PolarHBondContact O-N 2.98Å; S21-L23 PolarHBondContact O-N 2.83Å |
| 22 | P | 62.9 | Low | 66.2 | Low | 127 Ų | 127 | 141.2 Ų | 141.2 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | trans | -61.4 | 102.8 | 174.3 | -16.9 | 29.9 | 0 | 0 | 0 | 107.3 | C20 R24 | C20-P22 WeakPolarHBondContact O-CD 3.38Å; P22-R24 PolarHBondContact O-N 2.94Å |
| 23 | L | 63.7 | Low | 66.4 | Low | 162 Ų | 162 | 144 Ų | 144 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | | | trans | -55.9 | 113.1 | 172.4 | -68.8 | 173.2 | 0 | 0 | 0 | 105.8 | S21 A25 | S21-L23 PolarHBondContact O-N 2.83Å; L23-A25 PolarHBondContact O-N 2.92Å |
| 24 | R | 64.4 | Low | 66.2 | Low | 241 Ų | 241 | 141.3 Ų | 141.3 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | | | trans | -46 | 111.1 | 179.5 | -173.3 | 173.8 | 171.2 | 174.4 | -2.7 | 107.8 | P22 | P22-R24 PolarHBondContact O-N 2.94Š|
| 25 | A | 69.7 | Low | 66.5 | Low | 73 Ų | 73 | 139.9 Ų | 139.9 | 60% | 0.603 | 78% | 0.78 | S | S | * | * | | | trans | -55.9 | 140 | -172.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | L23 V27 | L23-A25 PolarHBondContact O-N 2.92Å; A25-V27 PolarHBondContact O-N 3.43Å |
| 26 | P | 71.1 | Confident | 66.5 | Low | 99 Ų | 99 | 142.5 Ų | 142.5 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | | | trans | -54.9 | 130.3 | 175.7 | -21.9 | 31.1 | 0 | 0 | 0 | 110.5 | F28 | P26-F28 HydrophobicContact CB-CE2 4.01Å; P26-F28 HydrophobicContact CB-CZ 4.07Å; P26-F28 WeakPolarHBondContact O-CD2 3.45Å; P26-F28 PolarHBondContact O-N 3.29Å |
| 27 | V | 76.1 | Confident | 66.9 | Low | 134 Ų | 134 | 142.9 Ų | 142.9 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | | | trans | -86.7 | 106.2 | 174.1 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | A25 | A25-V27 PolarHBondContact O-N 3.43Š|
| 28 | F | 77 | Confident | 67.1 | Low | 177 Ų | 177 | 142.3 Ų | 142.3 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | trans | -79.8 | 121.9 | 173.9 | -61.2 | -86.4 | 0 | 0 | 0 | 109.7 | P26 R30 | P26-F28 HydrophobicContact CB-CE2 4.01Å; P26-F28 HydrophobicContact CB-CZ 4.07Å; P26-F28 WeakPolarHBondContact O-CD2 3.45Å; P26-F28 PolarHBondContact O-N 3.29Å; F28-R30 PolarHBondContact O-N 3.49Å |
| 29 | R | 75.9 | Confident | 67.2 | Low | 224 Ų | 224 | 140.1 Ų | 140.1 | 85% | 0.845 | 75% | 0.75 | S | S | * | * | | | trans | -73.9 | 125.7 | 166.2 | -68.4 | -176.6 | -179.6 | 155 | 0.6 | 107.7 | L31 | R29-L31 PolarHBondContact O-N 2.99Š|
| 30 | R | 74.3 | Confident | 67.5 | Low | 245 Ų | 245 | 143.2 Ų | 143.2 | 93% | 0.925 | 75% | 0.752 | S | S | * | * | | | trans | -64.3 | 105.6 | 171.5 | -172.3 | 174 | 173 | -178.9 | -2.9 | 107.4 | F28 S32 | F28-R30 PolarHBondContact O-N 3.49Å; R30-S32 PolarHBondContact O-N 3.26Å |
| 31 | L | 72.4 | Confident | 68 | Low | 156 Ų | 156 | 144.1 Ų | 144.1 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | | | trans | -61.3 | 124.3 | 168.1 | -60.5 | 176.8 | 0 | 0 | 0 | 106.2 | R29 L33 | R29-L31 PolarHBondContact O-N 2.99Å; L31-L33 VanDerWaalsContact O-N 3.13Å; L31-L33 PolarHBondContact O-N 2.73Å |
| 32 | S | 68.1 | Low | 68.3 | Low | 115 Ų | 115 | 147.4 Ų | 147.4 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | | | trans | -52.2 | 125 | 166.4 | -62.8 | 0 | 0 | 0 | 0 | 106.2 | R30 G34 | R30-S32 PolarHBondContact O-N 3.26Å; S32-G34 PolarHBondContact O-N 3.13Å |
| 33 | L | 65.9 | Low | 68.4 | Low | 178 Ų | 178 | 145.3 Ų | 145.3 | 93% | 0.932 | 74% | 0.735 | S | S | * | * | | | trans | -57.5 | 97.3 | 173.9 | -166.7 | 76.4 | 0 | 0 | 0 | 105.4 | L31 | L31-L33 VanDerWaalsContact O-N 3.13Å; L31-L33 PolarHBondContact O-N 2.73Å |
| 34 | G | 59.8 | Low | 68.4 | Low | 57 Ų | 57 | 145.5 Ų | 145.5 | 59% | 0.588 | 74% | 0.737 | S | S | * | * | | | trans | -52.8 | 148.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | S32 R36 | S32-G34 PolarHBondContact O-N 3.13Å; G34-R36 PolarHBondContact O-N 2.97Å |
| 35 | S | 67.5 | Low | 68.3 | Low | 120 Ų | 120 | 141.4 Ų | 141.4 | 84% | 0.839 | 73% | 0.733 | S | S | * | * | | | trans | -50.6 | 117.9 | 175.7 | 53.8 | 0 | 0 | 0 | 0 | 108 | E37 | S35-E37 PolarHBondContact O-N 3.1Š|
| 36 | R | 65.9 | Low | 67.8 | Low | 227 Ų | 227 | 146 Ų | 146 | 86% | 0.857 | 74% | 0.735 | S | S | * | * | | | trans | -56.4 | 105.6 | 174.3 | -177.2 | 178.3 | 117 | 174.6 | 3 | 106.6 | G34 N38 | G34-R36 PolarHBondContact O-N 2.97Å; R36-N38 PolarHBondContact O-N 3.49Å |
| 37 | E | 67.9 | Low | 67.3 | Low | 135 Ų | 135 | 145.9 Ų | 145.9 | 63% | 0.631 | 74% | 0.736 | S | S | * | * | | | trans | -55.7 | 139.9 | 171.9 | 56.4 | 175.2 | 96.7 | 0 | 0 | 108.5 | S35 P39 W42 | S35-E37 PolarHBondContact O-N 3.1Å; E37-P39 WeakPolarHBondContact O-CD 3.42Å; E37-W42 PolarHBondContact OE2-NE1 2.96Å |
| 38 | N | 64.6 | Low | 66.5 | Low | 91 Ų | 91 | 144.6 Ų | 144.6 | 49% | 0.487 | 73% | 0.731 | S | S | . | * | | | trans | -72.2 | 122.3 | 179.3 | -174 | -22.2 | 0 | 0 | 0 | 107.7 | R36 Q40 D41 | R36-N38 PolarHBondContact O-N 3.49Å; N38-Q40 PolarHBondContact O-N 2.87Å; N38-Q40 WeakPolarHBondContact OD1-CB 3.42Å; N38-Q40 PolarHBondContact OD1-N 3.05Å; N38-D41 WeakPolarHBondContact O-CB 3.33Å; N38-D41 PolarHBondContact O-N 3.33Å |
| 39 | P | 65.3 | Low | 65.6 | Low | 66 Ų | 66 | 140.8 Ų | 140.8 | 43% | 0.429 | 73% | 0.732 | S | S | . | * | G | 310 helix | trans | -57.1 | -21.2 | 177.8 | -24.3 | 34.2 | 0 | 0 | 0 | 114.1 | E37 D41 W42 | E37-P39 WeakPolarHBondContact O-CD 3.42Å; P39-D41 PolarHBondContact O-N 2.71Å; P39-W42 HydrophobicContact CB-CD2 4.44Å; P39-W42 PolarHBondContact O-N 2.99Å; P39-W42 VanDerWaalsContact O-CG 3.23Å; P39-W42 WeakPolarHBondContact O-CB 3.02Å; P39-W42 HydrophobicContact CB-CZ2 4.37Å |
| 40 | Q | 66.9 | Low | 64.7 | Low | 172 Ų | 172 | 136.1 Ų | 136.1 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -71.4 | -15.3 | 173.9 | -77.6 | 174 | -95.1 | 0 | 0 | 114 | N38 | N38-Q40 PolarHBondContact O-N 2.87Å; N38-Q40 WeakPolarHBondContact OD1-CB 3.42Å; N38-Q40 PolarHBondContact OD1-N 3.05Å |
| 41 | D | 68.3 | Low | 63.9 | Low | 143 Ų | 143 | 133.5 Ų | 133.5 | 77% | 0.765 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -83 | -3.6 | 175.5 | -147.8 | -112.3 | 0 | 0 | 0 | 111.9 | N38 P39 | N38-D41 WeakPolarHBondContact O-CB 3.33Å; N38-D41 PolarHBondContact O-N 3.33Å; P39-D41 PolarHBondContact O-N 2.71Å |
| 42 | W | 66.6 | Low | 63.3 | Low | 153 Ų | 153 | 136.9 Ų | 136.9 | 58% | 0.58 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -65.1 | 131.2 | 177.3 | -65.8 | -3.3 | 0 | 0 | 0 | 109.5 | E37 P39 D44 | E37-W42 PolarHBondContact OE2-NE1 2.96Å; P39-W42 HydrophobicContact CB-CD2 4.44Å; P39-W42 PolarHBondContact O-N 2.99Å; P39-W42 VanDerWaalsContact O-CG 3.23Å; P39-W42 WeakPolarHBondContact O-CB 3.02Å; P39-W42 HydrophobicContact CB-CZ2 4.37Å; W42-D44 PolarHBondContact O-N 2.01Å |
| 43 | P | 64 | Low | 62.9 | Low | 83 Ų | 83 | 135.5 Ų | 135.5 | 54% | 0.539 | 72% | 0.715 | S | S | . | * | | | trans | -60.4 | 118.7 | 172.4 | 24.9 | -31.6 | 0 | 0 | 0 | 107.7 | D45 R46 | P43-D45 PolarHBondContact O-N 2.96Å; P43-R46 HydrophobicContact CG-CB 4.25Å; P43-R46 HydrophobicContact CG-CG 4.1Å; P43-R46 PolarHBondContact O-N 2.91Å; P43-R46 VanDerWaalsContact O-N 3.15Å |
| 44 | D | 65.4 | Low | 62.8 | Low | 166 Ų | 166 | 137.3 Ų | 137.3 | 89% | 0.888 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -48.4 | -23.3 | 178.5 | -75.7 | -63.6 | 0 | 0 | 0 | 112.5 | W42 | W42-D44 PolarHBondContact O-N 2.01Š|
| 45 | D | 62.3 | Low | 62.9 | Low | 155 Ų | 155 | 136.8 Ų | 136.8 | 83% | 0.829 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -96.3 | 2.6 | -170.5 | -155.7 | 34 | 0 | 0 | 0 | 115.6 | P43 | P43-D45 PolarHBondContact O-N 2.96Š|
| 46 | R | 58.6 | Low | 62.9 | Low | 169 Ų | 169 | 138.1 Ų | 138.1 | 64% | 0.638 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -106 | 17.7 | 174.5 | -67 | -154.5 | -158.3 | -162.8 | 14.8 | 115 | P43 P48 E73 | P43-R46 HydrophobicContact CG-CB 4.25Å; P43-R46 HydrophobicContact CG-CG 4.1Å; P43-R46 PolarHBondContact O-N 2.91Å; P43-R46 VanDerWaalsContact O-N 3.15Å; R46-P48 VanDerWaalsContact O-CD 3.3Å; R46-P48 VanDerWaalsContact O-N 3.16Å; R46-P48 WeakPolarHBondContact O-CD 3.06Å; R46-E73 IonicContact CZ-OE1 3.46Å; R46-E73 PolarHBondContact NH2-OE1 3.11Å; R46-E73 IonicContact NH2-OE1 2.7Å; R46-E73 IonicContact NH1-OE1 3.44Å; R46-E73 PolarHBondContact NH1-OE1 3.44Å |
| 47 | S | 60.5 | Low | 62.9 | Low | 97 Ų | 97 | 132.5 Ų | 132.5 | 68% | 0.678 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -64.2 | 118.4 | 160.5 | -68.1 | 0 | 0 | 0 | 0 | 106.8 | A49 | S47-A49 PolarHBondContact O-N 2.83Å; S47-A49 VanDerWaalsContact O-N 3.11Å |
| 48 | P | 59.5 | Low | 62.8 | Low | 107 Ų | 107 | 134 Ų | 134 | 70% | 0.695 | 70% | 0.703 | S | S | * | * | | | trans | -50.5 | 129.4 | 176.8 | 19.5 | -30.3 | 0 | 0 | 0 | 107 | R46 V50 | R46-P48 VanDerWaalsContact O-CD 3.3Å; R46-P48 VanDerWaalsContact O-N 3.16Å; R46-P48 WeakPolarHBondContact O-CD 3.06Å; P48-V50 WeakPolarHBondContact O-CG2 3.39Å; P48-V50 PolarHBondContact O-N 2.88Å |
| 49 | A | 57.1 | Low | 62.6 | Low | 98 Ų | 98 | 132.8 Ų | 132.8 | 81% | 0.81 | 70% | 0.702 | S | S | * | * | | | trans | -62.1 | 88.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | S47 K51 | S47-A49 PolarHBondContact O-N 2.83Å; S47-A49 VanDerWaalsContact O-N 3.11Å; A49-K51 VanDerWaalsContact C-N 3.32Å; A49-K51 PolarHBondContact O-N 3.03Å |
| 50 | V | 58 | Low | 62.6 | Low | 126 Ų | 126 | 135.1 Ų | 135.1 | 76% | 0.764 | 72% | 0.717 | S | S | * | * | | | trans | -74.5 | 96.8 | 178.8 | -152.4 | 0 | 0 | 0 | 0 | 104.8 | P48 W52 | P48-V50 WeakPolarHBondContact O-CG2 3.39Å; P48-V50 PolarHBondContact O-N 2.88Å; V50-W52 PolarHBondContact O-N 2.84Å |
| 51 | K | 56.8 | Low | 62.4 | Low | 190 Ų | 190 | 130.2 Ų | 130.2 | 83% | 0.826 | 70% | 0.701 | S | S | * | * | | | trans | -60.4 | 106.2 | 168.1 | -75.8 | 179.3 | -179.8 | 172.1 | 0 | 106.3 | A49 C53 | A49-K51 VanDerWaalsContact C-N 3.32Å; A49-K51 PolarHBondContact O-N 3.03Å; K51-C53 PolarHBondContact O-N 2.98Å |
| 52 | W | 60.3 | Low | 62.3 | Low | 227 Ų | 227 | 128 Ų | 128 | 86% | 0.86 | 70% | 0.695 | S | S | * | * | | | trans | -63.3 | 101.8 | 175.2 | -178.8 | -90.9 | 0 | 0 | 0 | 108.7 | V50 R54 | V50-W52 PolarHBondContact O-N 2.84Å; W52-R54 PolarHBondContact O-N 3.34Å |
| 53 | C | 60.2 | Low | 62.2 | Low | 85 Ų | 85 | 128.6 Ų | 128.6 | 57% | 0.574 | 71% | 0.709 | S | S | * | * | | | trans | -75.2 | 109 | 166.6 | -78 | 0 | 0 | 0 | 0 | 107.5 | K51 C55 | K51-C53 PolarHBondContact O-N 2.98Å; C53-C55 VanDerWaalsContact C-N 3.26Å; C53-C55 PolarHBondContact O-N 2.69Å |
| 54 | R | 63.4 | Low | 62.4 | Low | 217 Ų | 217 | 130 Ų | 130 | 82% | 0.819 | 72% | 0.715 | S | S | * | * | | | trans | -67.9 | 93 | 165.2 | -171 | -179.2 | -170.6 | 177 | 2.1 | 107 | W52 E56 | W52-R54 PolarHBondContact O-N 3.34Å; R54-E56 PolarHBondContact O-N 2.87Å |
| 55 | C | 61 | Low | 62.7 | Low | 46 Ų | 46 | 129.8 Ų | 129.8 | 31% | 0.311 | 71% | 0.709 | S | S | . | * | | | trans | -72.3 | 119.8 | 172.1 | -52.9 | 0 | 0 | 0 | 0 | 107.2 | C53 C61 | C53-C55 VanDerWaalsContact C-N 3.26Å; C53-C55 PolarHBondContact O-N 2.69Å; C55-C61 HydrophobicContact CB-CB 4.32Å; C55-C61 WeakPolarHBondContact CB-SG 3.36Å; C55-C61 WeakPolarHBondContact SG-CB 3.44Å; C55-C61 CovalentContact SG-SG 2.01Å; C55-C61 PolarHBondContact SG-SG 2.92Å |
| 56 | E | 67.7 | Low | 63.1 | Low | 148 Ų | 148 | 127.7 Ų | 127.7 | 69% | 0.692 | 70% | 0.704 | S | S | * | * | | | trans | -52.4 | 139.8 | 163.9 | -65.9 | -95.6 | 127.5 | 0 | 0 | 107.4 | R54 D58 S59 | R54-E56 PolarHBondContact O-N 2.87Å; E56-D58 PolarHBondContact O-N 2.66Å; E56-S59 PolarHBondContact O-N 3.2Å |
| 57 | A | 65.7 | Low | 63.8 | Low | 109 Ų | 109 | 128.3 Ų | 128.3 | 90% | 0.901 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | -15.6 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 58 | D | 65.8 | Low | 64.6 | Low | 165 Ų | 165 | 129.6 Ų | 129.6 | 88% | 0.882 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117 | 8 | -179.6 | -80.8 | -58.4 | 0 | 0 | 0 | 114.5 | E56 | E56-D58 PolarHBondContact O-N 2.66Š|
| 59 | S | 61.5 | Low | 65.5 | Low | 66 Ų | 66 | 129.9 Ų | 129.9 | 46% | 0.462 | 71% | 0.712 | S | S | . | * | S | Bend | trans | -105 | 117.1 | 174.3 | -174.4 | 0 | 0 | 0 | 0 | 109.7 | E56 C61 | E56-S59 PolarHBondContact O-N 3.2Å; S59-C61 PolarHBondContact O-N 2.93Å |
| 60 | P | 64.5 | Low | 66.4 | Low | 116 Ų | 116 | 135.9 Ų | 135.9 | 75% | 0.753 | 71% | 0.714 | S | S | * | * | | | trans | -57.5 | 115.1 | 166.6 | 24.4 | -30.1 | 0 | 0 | 0 | 106.8 | P62 | P60-P62 VanDerWaalsContact O-N 3.12Š|
| 61 | C | 63.1 | Low | 67 | Low | 69 Ų | 69 | 134.1 Ų | 134.1 | 47% | 0.466 | 71% | 0.707 | S | S | . | * | | | trans | -48.1 | 126.8 | 171.4 | -48.7 | 0 | 0 | 0 | 0 | 106.3 | C55 S59 L63 | C55-C61 HydrophobicContact CB-CB 4.32Å; C55-C61 WeakPolarHBondContact CB-SG 3.36Å; C55-C61 WeakPolarHBondContact SG-CB 3.44Å; C55-C61 CovalentContact SG-SG 2.01Å; C55-C61 PolarHBondContact SG-SG 2.92Å; S59-C61 PolarHBondContact O-N 2.93Å; C61-L63 PolarHBondContact O-N 2.91Å |
| 62 | P | 66.1 | Low | 67.7 | Low | 97 Ų | 97 | 130.9 Ų | 130.9 | 63% | 0.63 | 71% | 0.705 | S | S | * | * | | | trans | -53.5 | 123.3 | 171.7 | 22.3 | -30.4 | 0 | 0 | 0 | 105.6 | P60 V64 | P60-P62 VanDerWaalsContact O-N 3.12Å; P62-V64 WeakPolarHBondContact O-CG2 3.3Å; P62-V64 PolarHBondContact O-N 3.34Å |
| 63 | L | 65.2 | Low | 67.9 | Low | 165 Ų | 165 | 125.9 Ų | 125.9 | 86% | 0.864 | 69% | 0.692 | S | S | * | * | | | trans | -63.7 | 88.6 | 177.7 | -170.2 | 75.8 | 0 | 0 | 0 | 105.7 | C61 E65 | C61-L63 PolarHBondContact O-N 2.91Å; L63-E65 PolarHBondContact O-N 3.44Å; L63-E65 VanDerWaalsContact O-N 3.1Å |
| 64 | V | 68.6 | Low | 68 | Low | 113 Ų | 113 | 130.8 Ų | 130.8 | 69% | 0.685 | 71% | 0.706 | S | S | * | * | | | trans | -73.9 | 104.8 | 175.6 | -175.3 | 0 | 0 | 0 | 0 | 104.4 | P62 P66 | P62-V64 WeakPolarHBondContact O-CG2 3.3Å; P62-V64 PolarHBondContact O-N 3.34Å; V64-P66 WeakPolarHBondContact O-CD 3.13Å |
| 65 | E | 71.3 | Confident | 68 | Low | 160 Ų | 160 | 129.5 Ų | 129.5 | 75% | 0.748 | 71% | 0.709 | S | S | * | * | | | trans | -55.6 | 123.7 | 170.4 | -72 | -168.8 | 149.1 | 0 | 0 | 107.4 | L63 E67 | L63-E65 PolarHBondContact O-N 3.44Å; L63-E65 VanDerWaalsContact O-N 3.1Å; E65-E67 PolarHBondContact O-N 3.05Å |
| 66 | P | 69.9 | Low | 67.8 | Low | 111 Ų | 111 | 129.5 Ų | 129.5 | 72% | 0.721 | 72% | 0.717 | S | S | * | * | | | trans | -64.7 | 110.5 | 177 | 24.9 | -31.4 | 0 | 0 | 0 | 108.4 | V64 I68 | V64-P66 WeakPolarHBondContact O-CD 3.13Å; P66-I68 PolarHBondContact O-N 3.15Å |
| 67 | E | 73.9 | Confident | 67.4 | Low | 183 Ų | 183 | 132.4 Ų | 132.4 | 86% | 0.855 | 73% | 0.727 | S | S | * | * | | | trans | -68.6 | 101 | 166.9 | -93 | -176.4 | 157.8 | 0 | 0 | 108.5 | E65 T69 | E65-E67 PolarHBondContact O-N 3.05Å; E67-T69 PolarHBondContact O-N 2.84Å |
| 68 | I | 76.2 | Confident | 67.1 | Low | 123 Ų | 123 | 134.9 Ų | 134.9 | 63% | 0.631 | 72% | 0.723 | S | S | * | * | | | trans | -85.5 | 98.7 | 172.4 | -59.1 | 171.9 | 0 | 0 | 0 | 107.6 | P66 W70 | P66-I68 PolarHBondContact O-N 3.15Å; I68-W70 HydrophobicContact CG2-CZ2 4.27Å |
| 69 | T | 79.1 | Confident | 66.7 | Low | 113 Ų | 113 | 136.4 Ų | 136.4 | 69% | 0.693 | 72% | 0.722 | S | S | * | * | | | trans | -89.4 | 105.3 | 174.5 | -53.5 | 0 | 0 | 0 | 0 | 109.9 | E67 S71 | E67-T69 PolarHBondContact O-N 2.84Å; T69-S71 PolarHBondContact O-N 2.85Å |
| 70 | W | 76.2 | Confident | 66.6 | Low | 224 Ų | 224 | 137.8 Ų | 137.8 | 85% | 0.848 | 74% | 0.738 | S | S | * | * | | | trans | -76.4 | 102.5 | 167.8 | -62.9 | 92.9 | 0 | 0 | 0 | 108.6 | I68 P72 | I68-W70 HydrophobicContact CG2-CZ2 4.27Å; W70-P72 WeakPolarHBondContact O-CD 3.38Å |
| 71 | S | 71.4 | Confident | 65.9 | Low | 89 Ų | 89 | 140.3 Ų | 140.3 | 62% | 0.622 | 77% | 0.769 | S | S | * | * | | | trans | -74.8 | 119.1 | 164.1 | -61.5 | 0 | 0 | 0 | 0 | 106.7 | T69 E73 | T69-S71 PolarHBondContact O-N 2.85Å; S71-E73 PolarHBondContact O-N 2.99Å |
| 72 | P | 69.9 | Low | 66 | Low | 122 Ų | 122 | 143.9 Ų | 143.9 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | | | trans | -58.3 | 108.9 | 167 | 24.4 | -30 | 0 | 0 | 0 | 105.6 | W70 Q74 | W70-P72 WeakPolarHBondContact O-CD 3.38Å; P72-Q74 PolarHBondContact O-N 2.92Å |
| 73 | E | 66.1 | Low | 66 | Low | 123 Ų | 123 | 146.4 Ų | 146.4 | 58% | 0.575 | 79% | 0.792 | S | S | * | * | | | trans | -54.7 | 119 | 171 | -72.2 | -175.5 | 123.2 | 0 | 0 | 105.3 | R46 S71 E75 | R46-E73 IonicContact CZ-OE1 3.46Å; R46-E73 PolarHBondContact NH2-OE1 3.11Å; R46-E73 IonicContact NH2-OE1 2.7Å; R46-E73 IonicContact NH1-OE1 3.44Å; R46-E73 PolarHBondContact NH1-OE1 3.44Å; S71-E73 PolarHBondContact O-N 2.99Å; E73-E75 PolarHBondContact O-N 2.7Å |
| 74 | Q | 60.4 | Low | 66 | Low | 188 Ų | 188 | 145.3 Ų | 145.3 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | | | trans | -70.4 | 79.2 | -176.1 | -171.1 | 173.5 | -6.6 | 0 | 0 | 107.8 | P72 G76 | P72-Q74 PolarHBondContact O-N 2.92Å; Q74-G76 PolarHBondContact O-N 3.29Å |
| 75 | E | 63.4 | Low | 65.9 | Low | 190 Ų | 190 | 147.2 Ų | 147.2 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | | | trans | -64.4 | 80.2 | 168.9 | -70.7 | 173.5 | 144.5 | 0 | 0 | 107.3 | E73 | E73-E75 PolarHBondContact O-N 2.7Š|
| 76 | G | 57.6 | Low | 65.5 | Low | 45 Ų | 45 | 146.4 Ų | 146.4 | 46% | 0.464 | 80% | 0.797 | S | S | . | * | | | trans | -167.2 | 20 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q74 I78 | Q74-G76 PolarHBondContact O-N 3.29Å; G76-I78 PolarHBondContact O-N 3.27Å; G76-I78 VanDerWaalsContact O-N 3.1Å |
| 77 | K | 59.2 | Low | 65.2 | Low | 209 Ų | 209 | 148.8 Ų | 148.8 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | | | trans | -82.1 | 56.6 | 159.8 | -66.2 | -178.6 | -176 | 174.5 | 0 | 109.3 | K79 | K77-K79 PolarHBondContact O-N 3Š|
| 78 | I | 59 | Low | 64.6 | Low | 161 Ų | 161 | 146.4 Ų | 146.4 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | | | trans | -72.4 | 95.1 | 157.9 | 40.5 | 168.7 | 0 | 0 | 0 | 106.4 | G76 A80 | G76-I78 PolarHBondContact O-N 3.27Å; G76-I78 VanDerWaalsContact O-N 3.1Å; I78-A80 PolarHBondContact O-N 3.1Å |
| 79 | K | 58.7 | Low | 63.7 | Low | 197 Ų | 197 | 148.2 Ų | 148.2 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | | | trans | -54.2 | 101.9 | 171.3 | -174.8 | -178.5 | -177.9 | -166.4 | 0 | 107.8 | K77 A81 | K77-K79 PolarHBondContact O-N 3Å; K79-A81 PolarHBondContact O-N 2.99Å |
| 80 | A | 59.1 | Low | 62.5 | Low | 95 Ų | 95 | 151.1 Ų | 151.1 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | | | trans | -59.5 | 124.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | I78 | I78-A80 PolarHBondContact O-N 3.1Š|
| 81 | A | 48.6 | Very low | 61.2 | Low | 170 Ų | 170 | 144.5 Ų | 144.5 | 100% | 1.405 | 82% | 0.818 | S | S | * | * | | | trans | -63 | 0 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | K79 | K79-A81 PolarHBondContact O-N 2.99Š|