| 1 | M | 52.8 | Low | 65.4 | Low | 242 Ų | 242 | 163 Ų | 163 | 100% | 1.192 | 84% | 0.841 | S | S | * | * | | | | 0 | 101 | 0 | -75.2 | -176.6 | 142.8 | 0 | 0 | 109 | | |
| 2 | Q | 60.1 | Low | 65.2 | Low | 196 Ų | 196 | 162.6 Ų | 162.6 | 92% | 0.916 | 84% | 0.839 | S | S | * | * | | | trans | -115.5 | 118.9 | 168.2 | -75.4 | -176.6 | 33 | 0 | 0 | 107.2 | | |
| 3 | R | 70.4 | Confident | 64.6 | Low | 240 Ų | 240 | 160.8 Ų | 160.8 | 91% | 0.906 | 83% | 0.831 | S | S | * | * | | | trans | -81.6 | 119.8 | 179.3 | -71.4 | -179.3 | 170.1 | 139.9 | -2.7 | 107.9 | | |
| 4 | V | 70.1 | Confident | 64.3 | Low | 126 Ų | 126 | 159.3 Ų | 159.3 | 76% | 0.764 | 82% | 0.824 | S | S | * | * | | | trans | -63.1 | 129.4 | 173.3 | -176.3 | 0 | 0 | 0 | 0 | 108.3 | V6 | V4-V6 PolarHBondContact O-N 3.14Š|
| 5 | P | 67.3 | Low | 64.2 | Low | 109 Ų | 109 | 160.5 Ų | 160.5 | 71% | 0.708 | 83% | 0.827 | S | S | * | * | | | trans | -70 | 114.5 | 173.8 | 26.8 | -30.4 | 0 | 0 | 0 | 109.1 | L7 | P5-L7 PolarHBondContact O-N 3.18Å; P5-L7 VanDerWaalsContact O-N 3.14Å |
| 6 | V | 71.7 | Confident | 64.4 | Low | 136 Ų | 136 | 160.3 Ų | 160.3 | 82% | 0.824 | 82% | 0.822 | S | S | * | * | | | trans | -64.7 | 110.6 | 170.5 | 177.9 | 0 | 0 | 0 | 0 | 107.3 | V4 R8 | V4-V6 PolarHBondContact O-N 3.14Å; V6-R8 PolarHBondContact O-N 2.94Å |
| 7 | L | 68.4 | Low | 64.4 | Low | 156 Ų | 156 | 162.9 Ų | 162.9 | 82% | 0.817 | 82% | 0.819 | S | S | * | * | | | trans | -59.9 | 104.6 | 172.4 | -66.4 | 172.5 | 0 | 0 | 0 | 108.3 | P5 L9 | P5-L7 PolarHBondContact O-N 3.18Å; P5-L7 VanDerWaalsContact O-N 3.14Å; L7-L9 PolarHBondContact O-N 3.09Å; L7-L9 VanDerWaalsContact O-N 3.09Å |
| 8 | R | 66.8 | Low | 64.2 | Low | 241 Ų | 241 | 164.7 Ų | 164.7 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | | | trans | -78.1 | 90.4 | 175.5 | -168.1 | 174.9 | -174.7 | 149.8 | 0 | 108.1 | V6 | V6-R8 PolarHBondContact O-N 2.94Š|
| 9 | L | 70.2 | Confident | 64.4 | Low | 153 Ų | 153 | 164.2 Ų | 164.2 | 80% | 0.801 | 82% | 0.819 | S | S | * | * | | | trans | -69.4 | 129.4 | 169.3 | -74.1 | 167.1 | 0 | 0 | 0 | 109.1 | L7 | L7-L9 PolarHBondContact O-N 3.09Å; L7-L9 VanDerWaalsContact O-N 3.09Å |
| 10 | P | 58.2 | Low | 64.3 | Low | 105 Ų | 105 | 161.7 Ų | 161.7 | 68% | 0.682 | 82% | 0.815 | S | S | * | * | | | trans | -67.2 | 135.2 | 170.6 | 27.6 | -31.3 | 0 | 0 | 0 | 109.1 | I12 | P10-I12 WeakPolarHBondContact O-CG1 3.5Å; P10-I12 PolarHBondContact O-N 2.98Å |
| 11 | A | 63.7 | Low | 64.2 | Low | 89 Ų | 89 | 159.4 Ų | 159.4 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | | | trans | -58.9 | 96.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L13 | A11-L13 PolarHBondContact O-N 2.87Š|
| 12 | I | 62.7 | Low | 64.8 | Low | 158 Ų | 158 | 158.8 Ų | 158.8 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | | | trans | -78.8 | 44.8 | 163.6 | -38.8 | -179 | 0 | 0 | 0 | 109 | P10 | P10-I12 WeakPolarHBondContact O-CG1 3.5Å; P10-I12 PolarHBondContact O-N 2.98Å |
| 13 | L | 58.1 | Low | 64.8 | Low | 140 Ų | 140 | 156.9 Ų | 156.9 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | | | trans | -128.5 | 33.5 | 173.3 | -66.9 | -179.9 | 0 | 0 | 0 | 110.1 | A11 M15 | A11-L13 PolarHBondContact O-N 2.87Å; L13-M15 PolarHBondContact O-N 2.88Å |
| 14 | D | 60.5 | Low | 64.4 | Low | 139 Ų | 139 | 149 Ų | 149 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | | | trans | -81.8 | 53.4 | 159.6 | -161.1 | 22 | 0 | 0 | 0 | 110.2 | | |
| 15 | M | 62.5 | Low | 64.1 | Low | 177 Ų | 177 | 148.6 Ų | 148.6 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | | | trans | -104.3 | 10.9 | 167.4 | -90.5 | -169.8 | 51.5 | 0 | 0 | 110.9 | L13 | L13-M15 PolarHBondContact O-N 2.88Š|
| 16 | E | 66.4 | Low | 64.1 | Low | 158 Ų | 158 | 153.2 Ų | 153.2 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -90.8 | -1.3 | -174.5 | -73.1 | -149.5 | 144.5 | 0 | 0 | 114.9 | | |
| 17 | R | 64.9 | Low | 63.8 | Low | 205 Ų | 205 | 157.3 Ų | 157.3 | 77% | 0.774 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -140.3 | 103.7 | -176.7 | -63.7 | -173.5 | -174.5 | 132 | 8.2 | 114.7 | | |
| 18 | K | 61 | Low | 63.5 | Low | 195 Ų | 195 | 158 Ų | 158 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | | | trans | 78.4 | 92.2 | 165.4 | -68.6 | 170.1 | 179.1 | -83.8 | 0 | 115.2 | | |
| 19 | I | 67.3 | Low | 63.5 | Low | 155 Ų | 155 | 151.7 Ų | 151.7 | 80% | 0.795 | 77% | 0.772 | S | S | * | * | | | trans | -46.5 | 121.7 | 138.9 | -52.5 | 169.8 | 0 | 0 | 0 | 106 | S21 | I19-S21 PolarHBondContact O-N 3.08Š|
| 20 | P | 62.5 | Low | 63.3 | Low | 113 Ų | 113 | 148.7 Ų | 148.7 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | | | trans | -57.7 | 117.5 | 170 | 23.5 | -30 | 0 | 0 | 0 | 105.3 | R22 | P20-R22 PolarHBondContact O-N 2.94Š|
| 21 | S | 63.7 | Low | 63.8 | Low | 114 Ų | 114 | 152.8 Ų | 152.8 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | trans | -46.8 | 109.3 | 177.8 | -177.9 | 0 | 0 | 0 | 0 | 106.2 | I19 E23 | I19-S21 PolarHBondContact O-N 3.08Å; S21-E23 VanDerWaalsContact C-N 3.29Å; S21-E23 PolarHBondContact O-N 3.06Å |
| 22 | R | 63.7 | Low | 63.5 | Low | 229 Ų | 229 | 154.8 Ų | 154.8 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | | | trans | -53.1 | 106.8 | 177.3 | -178.6 | -179.2 | -176.3 | 174.6 | 2 | 103.5 | P20 S24 | P20-R22 PolarHBondContact O-N 2.94Å; R22-S24 PolarHBondContact O-N 3.4Å |
| 23 | E | 60.9 | Low | 63.2 | Low | 156 Ų | 156 | 150.8 Ų | 150.8 | 73% | 0.729 | 78% | 0.779 | S | S | * | * | | | trans | -58.4 | 92.9 | -179.3 | -179.6 | 154.8 | -171.2 | 0 | 0 | 105.5 | S21 | S21-E23 VanDerWaalsContact C-N 3.29Å; S21-E23 PolarHBondContact O-N 3.06Å |
| 24 | S | 62.3 | Low | 63.3 | Low | 76 Ų | 76 | 156.2 Ų | 156.2 | 53% | 0.531 | 79% | 0.79 | S | S | . | * | | | trans | -45.2 | 124.3 | 164.8 | 162.2 | 0 | 0 | 0 | 0 | 104 | R22 R26 | R22-S24 PolarHBondContact O-N 3.4Å; S24-R26 WeakPolarHBondContact O-CA 3.24Å; S24-R26 PolarHBondContact O-N 2.61Å |
| 25 | P | 64.2 | Low | 63.2 | Low | 117 Ų | 117 | 152.8 Ų | 152.8 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | | | trans | -49.8 | 102.2 | 176.4 | -24.6 | 32.4 | 0 | 0 | 0 | 105.8 | R27 | P25-R27 VanDerWaalsContact C-N 3.33Å; P25-R27 PolarHBondContact O-N 3.18Å |
| 26 | R | 65.9 | Low | 62.5 | Low | 205 Ų | 205 | 150.2 Ų | 150.2 | 77% | 0.774 | 78% | 0.782 | S | S | * | * | | | trans | -60.7 | 105.8 | -158 | -175 | -179.3 | -171.1 | 139.2 | -2 | 104.1 | S24 L28 | S24-R26 WeakPolarHBondContact O-CA 3.24Å; S24-R26 PolarHBondContact O-N 2.61Å; R26-L28 VanDerWaalsContact C-N 3.35Å; R26-L28 WeakPolarHBondContact O-CA 3.19Å; R26-L28 PolarHBondContact O-N 3.27Å |
| 27 | R | 65.6 | Low | 62.2 | Low | 222 Ų | 222 | 151.8 Ų | 151.8 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | | | trans | -46.4 | 107.4 | -172.9 | -71.8 | 172.7 | 66.7 | -173.5 | 1.5 | 105.3 | P25 S29 | P25-R27 VanDerWaalsContact C-N 3.33Å; P25-R27 PolarHBondContact O-N 3.18Å; R27-S29 PolarHBondContact O-N 2.68Å |
| 28 | L | 63.5 | Low | 61.7 | Low | 170 Ų | 170 | 149.4 Ų | 149.4 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | | | trans | -65.9 | 88.5 | -173.3 | -71.9 | 168.6 | 0 | 0 | 0 | 105.6 | R26 A30 | R26-L28 VanDerWaalsContact C-N 3.35Å; R26-L28 WeakPolarHBondContact O-CA 3.19Å; R26-L28 PolarHBondContact O-N 3.27Å; L28-A30 PolarHBondContact O-N 3.31Å |
| 29 | S | 66.7 | Low | 61.7 | Low | 109 Ų | 109 | 149.9 Ų | 149.9 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | | | trans | -72.6 | 76.4 | 171.4 | 60.8 | 0 | 0 | 0 | 0 | 106.4 | R27 K31 | R27-S29 PolarHBondContact O-N 2.68Å; S29-K31 PolarHBondContact O-N 3.44Å; S29-K31 VanDerWaalsContact O-N 3.09Å |
| 30 | A | 65.3 | Low | 61.2 | Low | 90 Ų | 90 | 150.9 Ų | 150.9 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | | | trans | -61.4 | 110.5 | 166 | 0 | 0 | 0 | 0 | 0 | 106.9 | L28 | L28-A30 PolarHBondContact O-N 3.31Š|
| 31 | K | 68.5 | Low | 60.6 | Low | 191 Ų | 191 | 152.8 Ų | 152.8 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | | | trans | -65.4 | 128.1 | 164.9 | -63.8 | -176.1 | 178.6 | -179.4 | 0 | 106.7 | S29 G33 | S29-K31 PolarHBondContact O-N 3.44Å; S29-K31 VanDerWaalsContact O-N 3.09Å; K31-G33 PolarHBondContact O-N 2.72Å |
| 32 | P | 58.1 | Low | 60.4 | Low | 132 Ų | 132 | 152.8 Ų | 152.8 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | | | trans | -75.4 | 85 | 169.4 | 24.9 | -20.5 | 0 | 0 | 0 | 107.8 | R34 | P32-R34 PolarHBondContact O-N 3.43Š|
| 33 | G | 55.8 | Low | 60.1 | Low | 73 Ų | 73 | 152.1 Ų | 152.1 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | | | trans | -70.7 | 105.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109 | K31 | K31-G33 PolarHBondContact O-N 2.72Š|
| 34 | R | 59.3 | Low | 59.8 | Low | 255 Ų | 255 | 151 Ų | 151 | 96% | 0.962 | 80% | 0.804 | S | S | * | * | | | trans | -57.2 | 134.1 | 169.2 | -88.1 | -170.2 | 172.5 | 178.7 | -1.2 | 110.3 | P32 | P32-R34 PolarHBondContact O-N 3.43Š|
| 35 | G | 58.5 | Low | 59.2 | Low | 67 Ų | 67 | 155.5 Ų | 155.5 | 69% | 0.691 | 82% | 0.821 | S | S | * | * | | | trans | 100.4 | 100.3 | 150.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 36 | T | 48 | Very low | 59 | Low | 122 Ų | 122 | 153 Ų | 153 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | | | | -164.4 | 99.4 | 113.5 | -63.2 | 0 | 0 | 0 | 0 | 107.7 | M38 | T36-M38 HydrophobicContact CG2-CB 4.39Å; T36-M38 HydrophobicContact CG2-CG 3.76Å; T36-M38 HydrophobicContact CG2-SD 3.93Å; T36-M38 PolarHBondContact O-N 2.82Å; T36-M38 VanDerWaalsContact O-N 3.1Å |
| 37 | E | 60.6 | Low | 58.5 | Low | 191 Ų | 191 | 150.1 Ų | 150.1 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | | | trans | -65.3 | 95.4 | 161.6 | 42.4 | 171.4 | -167.4 | 0 | 0 | 109.4 | | |
| 38 | M | 53.9 | Low | 58.2 | Low | 156 Ų | 156 | 145.8 Ų | 145.8 | 77% | 0.768 | 82% | 0.819 | S | S | * | * | | | trans | -117.3 | 86.7 | 162.4 | -82.4 | 176.9 | 74.8 | 0 | 0 | 109.1 | T36 K40 | T36-M38 HydrophobicContact CG2-CB 4.39Å; T36-M38 HydrophobicContact CG2-CG 3.76Å; T36-M38 HydrophobicContact CG2-SD 3.93Å; T36-M38 PolarHBondContact O-N 2.82Å; T36-M38 VanDerWaalsContact O-N 3.1Å; M38-K40 VanDerWaalsContact C-N 3.33Å; M38-K40 PolarHBondContact O-N 3.44Å |
| 39 | K | 60.4 | Low | 58 | Low | 205 Ų | 205 | 141.2 Ų | 141.2 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | | | trans | -54.5 | 96.2 | 154.6 | -80.6 | 174.7 | 171.2 | 172.7 | 0 | 108.5 | | |
| 40 | K | 56.9 | Low | 57.8 | Low | 175 Ų | 175 | 140.3 Ų | 140.3 | 76% | 0.761 | 81% | 0.805 | S | S | * | * | | | trans | -149.3 | 105.5 | 147.2 | -69.9 | -158 | -179.3 | -169.8 | 0 | 110 | M38 | M38-K40 VanDerWaalsContact C-N 3.33Å; M38-K40 PolarHBondContact O-N 3.44Å |
| 41 | L | 51 | Low | 57.2 | Low | 153 Ų | 153 | 143.5 Ų | 143.5 | 80% | 0.801 | 81% | 0.809 | S | S | * | * | | | trans | 60 | 113.6 | 135.7 | -58 | 165 | 0 | 0 | 0 | 116.4 | R43 | L41-R43 PolarHBondContact O-N 3.44Š|
| 42 | A | 60.2 | Low | 56.8 | Low | 115 Ų | 115 | 139.2 Ų | 139.2 | 95% | 0.95 | 80% | 0.804 | S | S | * | * | | | trans | -44.2 | 98.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 43 | R | 55.6 | Low | 57.4 | Low | 215 Ų | 215 | 138.5 Ų | 138.5 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | trans | -109.7 | 133.5 | 156.6 | -79.3 | -173.2 | 175.1 | -116.4 | -0 | 106.3 | L41 L45 | L41-R43 PolarHBondContact O-N 3.44Å; R43-L45 PolarHBondContact O-N 3.47Å |
| 44 | P | 54.6 | Low | 57.9 | Low | 133 Ų | 133 | 144.8 Ų | 144.8 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | trans | -63.7 | 112.1 | -172.9 | 26.6 | -32.1 | 0 | 0 | 0 | 108.2 | G46 | P44-G46 PolarHBondContact O-N 3.12Š|
| 45 | L | 50.2 | Low | 58.1 | Low | 169 Ų | 169 | 139.6 Ų | 139.6 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | | | trans | -77 | 97.4 | -175.7 | -149 | 79.6 | 0 | 0 | 0 | 108.4 | R43 V47 | R43-L45 PolarHBondContact O-N 3.47Å; L45-V47 PolarHBondContact O-N 3.23Å |
| 46 | G | 61.2 | Low | 58.4 | Low | 65 Ų | 65 | 141 Ų | 141 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | | | trans | 24.7 | 69.4 | 141.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | P44 V48 | P44-G46 PolarHBondContact O-N 3.12Å; G46-V48 PolarHBondContact O-N 3.18Å |
| 47 | V | 55.3 | Low | 59.2 | Low | 145 Ų | 145 | 138.5 Ų | 138.5 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | | | trans | -78.9 | 90.2 | 145.5 | -179.9 | 0 | 0 | 0 | 0 | 105.2 | L45 A49 | L45-V47 PolarHBondContact O-N 3.23Å; V47-A49 PolarHBondContact O-N 3.01Å |
| 48 | V | 58.5 | Low | 59.1 | Low | 130 Ų | 130 | 137.4 Ų | 137.4 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | | | trans | -55.1 | 122 | 168.5 | 168.2 | 0 | 0 | 0 | 0 | 107.2 | G46 A50 | G46-V48 PolarHBondContact O-N 3.18Å; V48-A50 PolarHBondContact O-N 2.79Å; V48-A50 VanDerWaalsContact O-N 3.13Å |
| 49 | A | 60 | Low | 59.8 | Low | 75 Ų | 75 | 135.1 Ų | 135.1 | 62% | 0.62 | 78% | 0.781 | S | S | * | * | | | trans | -50.4 | 115.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | V47 D51 | V47-A49 PolarHBondContact O-N 3.01Å; A49-D51 VanDerWaalsContact C-N 3.3Å; A49-D51 PolarHBondContact O-N 2.78Å |
| 50 | A | 61.8 | Low | 60 | Low | 89 Ų | 89 | 127 Ų | 127 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | | | trans | -71.7 | 102.8 | 143.1 | 0 | 0 | 0 | 0 | 0 | 104.4 | V48 S52 | V48-A50 PolarHBondContact O-N 2.79Å; V48-A50 VanDerWaalsContact O-N 3.13Å; A50-S52 PolarHBondContact O-N 3.05Å |
| 51 | D | 53.5 | Low | 60.4 | Low | 157 Ų | 157 | 122.9 Ų | 122.9 | 84% | 0.84 | 74% | 0.739 | S | S | * | * | | | trans | -55.9 | 90.3 | 159.4 | -95.9 | -52.1 | 0 | 0 | 0 | 106.4 | A49 D53 | A49-D51 VanDerWaalsContact C-N 3.3Å; A49-D51 PolarHBondContact O-N 2.78Å; D51-D53 PolarHBondContact O-N 2.96Å |
| 52 | S | 59.5 | Low | 60.9 | Low | 101 Ų | 101 | 120.9 Ų | 120.9 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | | | trans | -68 | 113.2 | 168.2 | -87.9 | 0 | 0 | 0 | 0 | 106.2 | A50 K54 | A50-S52 PolarHBondContact O-N 3.05Å; S52-K54 PolarHBondContact O-N 3.41Å |
| 53 | D | 69.5 | Low | 60.8 | Low | 118 Ų | 118 | 120.7 Ų | 120.7 | 63% | 0.631 | 72% | 0.715 | S | S | * | * | | | trans | -43.1 | 110 | 170.1 | -171.8 | -2.3 | 0 | 0 | 0 | 109.7 | D51 D55 S56 | D51-D53 PolarHBondContact O-N 2.96Å; D53-D55 PolarHBondContact O-N 3Å; D53-D55 PolarHBondContact OD1-N 3.17Å; D53-S56 PolarHBondContact O-N 3.37Å |
| 54 | K | 67.9 | Low | 60.9 | Low | 205 Ų | 205 | 114.9 Ų | 114.9 | 89% | 0.891 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | 2.1 | -177 | -77.3 | -165.6 | 178 | 177.4 | 0 | 112.9 | S52 | S52-K54 PolarHBondContact O-N 3.41Š|
| 55 | D | 63.3 | Low | 61.1 | Low | 145 Ų | 145 | 116 Ų | 116 | 78% | 0.775 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | 22.2 | 175.5 | -64.4 | -42 | 0 | 0 | 0 | 113.3 | D53 G57 | D53-D55 PolarHBondContact O-N 3Å; D53-D55 PolarHBondContact OD1-N 3.17Å; D55-G57 PolarHBondContact O-N 3.48Å |
| 56 | S | 64.6 | Low | 61.5 | Low | 96 Ų | 96 | 114.1 Ų | 114.1 | 67% | 0.671 | 68% | 0.677 | S | S | * | * | | | trans | -68.2 | 79.9 | 168.8 | -174.8 | 0 | 0 | 0 | 0 | 110.6 | D53 F58 | D53-S56 PolarHBondContact O-N 3.37Å; S56-F58 PolarHBondContact O-N 2.94Å |
| 57 | G | 65.4 | Low | 61.5 | Low | 71 Ų | 71 | 116.6 Ų | 116.6 | 73% | 0.732 | 67% | 0.674 | S | S | * | * | | | trans | -70.2 | 59.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D55 S59 | D55-G57 PolarHBondContact O-N 3.48Å; G57-S59 PolarHBondContact O-N 3.34Å |
| 58 | F | 57.7 | Low | 61.7 | Low | 168 Ų | 168 | 116.7 Ų | 116.7 | 74% | 0.737 | 66% | 0.659 | S | S | * | * | | | trans | -78.6 | 77.7 | 173.7 | -153.9 | -90.3 | 0 | 0 | 0 | 110 | S56 V60 | S56-F58 PolarHBondContact O-N 2.94Å; F58-V60 HydrophobicContact CD1-CG2 4.33Å; F58-V60 PolarHBondContact O-N 3.19Å |
| 59 | S | 69.5 | Low | 61.8 | Low | 108 Ų | 108 | 115 Ų | 115 | 76% | 0.755 | 65% | 0.649 | S | S | * | * | | | trans | -69.6 | 108.7 | 168.1 | 52.3 | 0 | 0 | 0 | 0 | 108.9 | G57 | G57-S59 PolarHBondContact O-N 3.34Š|
| 60 | V | 64.4 | Low | 61.9 | Low | 34 Ų | 34 | 116 Ų | 116 | 21% | 0.206 | 64% | 0.643 | C | S | . | * | | | trans | -64.9 | 126.1 | 175.7 | -177.7 | 0 | 0 | 0 | 0 | 108 | F58 E62 | F58-V60 HydrophobicContact CD1-CG2 4.33Å; F58-V60 PolarHBondContact O-N 3.19Å; V60-E62 PolarHBondContact O-N 3.27Å |
| 61 | P | 65.4 | Low | 61.9 | Low | 89 Ų | 89 | 118.9 Ų | 118.9 | 58% | 0.578 | 64% | 0.641 | S | S | * | * | | | trans | -61.3 | 136.3 | 174.6 | 23.1 | -30.4 | 0 | 0 | 0 | 109.8 | P63 | P61-P63 WeakPolarHBondContact O-CD 3.08Å; P61-P63 VanDerWaalsContact O-N 3.13Å |
| 62 | E | 61.1 | Low | 62.5 | Low | 110 Ų | 110 | 119.6 Ų | 119.6 | 51% | 0.514 | 64% | 0.637 | S | S | . | * | G | 310 helix | trans | -54.9 | -23.1 | -165.5 | -79.4 | -58.2 | 117.7 | 0 | 0 | 119.2 | V60 L64 R65 | V60-E62 PolarHBondContact O-N 3.27Å; E62-L64 PolarHBondContact O-N 2.75Å; E62-L64 VanDerWaalsContact O-N 3.08Å; E62-R65 IonicContact OE1-CZ 3.45Å; E62-R65 IonicContact OE1-NE 2.88Å; E62-R65 PolarHBondContact OE1-NE 3.47Å; E62-R65 IonicContact OE1-NH2 3.76Å; E62-R65 PolarHBondContact OE1-NH2 2.97Å; E62-R65 VanDerWaalsContact OE2-CD 3.24Å; E62-R65 WeakPolarHBondContact OE2-CD 3.41Å; E62-R65 IonicContact OE2-CZ 2.97Å; E62-R65 IonicContact OE2-NE 2.68Å; E62-R65 PolarHBondContact OE2-NE 2.64Å; E62-R65 IonicContact OE2-NH2 2.61Å |
| 63 | P | 57.8 | Low | 63 | Low | 111 Ų | 111 | 117.6 Ų | 117.6 | 72% | 0.721 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -73.1 | -6.4 | -174.5 | 26.3 | -33.4 | 0 | 0 | 0 | 114.6 | P61 | P61-P63 WeakPolarHBondContact O-CD 3.08Å; P61-P63 VanDerWaalsContact O-N 3.13Å |
| 64 | L | 57.8 | Low | 62.7 | Low | 94 Ų | 94 | 115.9 Ų | 115.9 | 49% | 0.492 | 61% | 0.614 | S | S | . | * | G | 310 helix | trans | -108.5 | 9.7 | -173.6 | -62.4 | 179.6 | 0 | 0 | 0 | 115.4 | E62 N66 L67 | E62-L64 PolarHBondContact O-N 2.75Å; E62-L64 VanDerWaalsContact O-N 3.08Å; L64-N66 PolarHBondContact O-N 2.9Å; L64-L67 PolarHBondContact O-N 3.23Å |
| 65 | R | 58 | Low | 62.4 | Low | 157 Ų | 157 | 111.5 Ų | 111.5 | 59% | 0.592 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -60.7 | -34.6 | 176.2 | -68.9 | -167.8 | 176.7 | -152.7 | 6.5 | 112.4 | E62 L67 R68 | E62-R65 IonicContact OE1-CZ 3.45Å; E62-R65 IonicContact OE1-NE 2.88Å; E62-R65 PolarHBondContact OE1-NE 3.47Å; E62-R65 IonicContact OE1-NH2 3.76Å; E62-R65 PolarHBondContact OE1-NH2 2.97Å; E62-R65 VanDerWaalsContact OE2-CD 3.24Å; E62-R65 WeakPolarHBondContact OE2-CD 3.41Å; E62-R65 IonicContact OE2-CZ 2.97Å; E62-R65 IonicContact OE2-NE 2.68Å; E62-R65 PolarHBondContact OE2-NE 2.64Å; E62-R65 IonicContact OE2-NH2 2.61Å; R65-L67 VanDerWaalsContact C-N 3.34Å; R65-L67 PolarHBondContact O-N 3.13Å; R65-R68 PolarHBondContact O-N 2.72Å |
| 66 | N | 59.7 | Low | 62.3 | Low | 129 Ų | 129 | 109 Ų | 109 | 69% | 0.69 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -72.8 | -24.7 | -178.5 | -64 | -26.5 | 0 | 0 | 0 | 113.5 | L64 R68 L70 | L64-N66 PolarHBondContact O-N 2.9Å; N66-R68 VanDerWaalsContact C-N 3.35Å; N66-L70 PolarHBondContact O-N 2.99Å |
| 67 | L | 60.6 | Low | 62 | Low | 116 Ų | 116 | 109.6 Ų | 109.6 | 61% | 0.607 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -74.1 | -29.2 | 179.1 | -139.3 | 76 | 0 | 0 | 0 | 112 | L64 R65 L70 H71 | L64-L67 PolarHBondContact O-N 3.23Å; R65-L67 VanDerWaalsContact C-N 3.34Å; R65-L67 PolarHBondContact O-N 3.13Å; L67-L70 PolarHBondContact O-N 3.03Å; L67-H71 PolarHBondContact O-N 2.64Å; L67-H71 VanDerWaalsContact O-N 3.12Å |
| 68 | R | 59.7 | Low | 61.8 | Low | 147 Ų | 147 | 111.1 Ų | 111.1 | 56% | 0.555 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -70.3 | -37.3 | 175.9 | -69.9 | -175.8 | 173.6 | -179.8 | -3.7 | 112.1 | R65 N66 L70 H71 F72 | R65-R68 PolarHBondContact O-N 2.72Å; N66-R68 VanDerWaalsContact C-N 3.35Å; R68-L70 VanDerWaalsContact C-N 3.28Å; R68-L70 PolarHBondContact O-N 3.22Å; R68-H71 PolarHBondContact O-N 2.75Å; R68-H71 VanDerWaalsContact O-N 3.17Å; R68-F72 WeakPolarHBondContact O-CD2 3.46Å; R68-F72 PolarHBondContact O-N 2.71Å |
| 69 | V | 61.5 | Low | 62 | Low | 96 Ų | 96 | 110 Ų | 110 | 58% | 0.582 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.4 | -40.7 | 175.6 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | H71 F72 L73 | V69-H71 VanDerWaalsContact C-N 3.35Å; V69-H71 PolarHBondContact O-N 3.09Å; V69-F72 PolarHBondContact O-N 3.01Å; V69-L73 PolarHBondContact O-N 2.88Å |
| 70 | L | 60.8 | Low | 61.6 | Low | 95 Ų | 95 | 111.2 Ų | 111.2 | 50% | 0.497 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -70.9 | -27.4 | 176.8 | -64.7 | 174.8 | 0 | 0 | 0 | 113.7 | N66 L67 R68 K78 | N66-L70 PolarHBondContact O-N 2.99Å; L67-L70 PolarHBondContact O-N 3.03Å; R68-L70 VanDerWaalsContact C-N 3.28Å; R68-L70 PolarHBondContact O-N 3.22Å; L70-K78 WeakPolarHBondContact O-CE 3.44Å; L70-K78 PolarHBondContact O-NZ 2.81Å |
| 71 | H | 61.9 | Low | 61.4 | Low | 149 Ų | 149 | 117.4 Ų | 117.4 | 69% | 0.69 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -73 | -35.6 | 174.3 | -171.1 | -87.8 | 0 | 0 | 0 | 112 | L67 R68 V69 | L67-H71 PolarHBondContact O-N 2.64Å; L67-H71 VanDerWaalsContact O-N 3.12Å; R68-H71 PolarHBondContact O-N 2.75Å; R68-H71 VanDerWaalsContact O-N 3.17Å; V69-H71 VanDerWaalsContact C-N 3.35Å; V69-H71 PolarHBondContact O-N 3.09Å |
| 72 | F | 66.6 | Low | 61 | Low | 172 Ų | 172 | 125.6 Ų | 125.6 | 75% | 0.754 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -87.7 | -3.7 | 176.6 | -81.3 | -87 | 0 | 0 | 0 | 114.1 | R68 V69 P74 | R68-F72 WeakPolarHBondContact O-CD2 3.46Å; R68-F72 PolarHBondContact O-N 2.71Å; V69-F72 PolarHBondContact O-N 3.01Å; F72-P74 WeakPolarHBondContact O-CD 3.48Å |
| 73 | L | 69.6 | Low | 61 | Low | 59 Ų | 59 | 126.4 Ų | 126.4 | 31% | 0.309 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -73.4 | 123.2 | 176.5 | -165.6 | 66.4 | 0 | 0 | 0 | 110.1 | V69 T75 Q77 K78 | V69-L73 PolarHBondContact O-N 2.88Å; L73-T75 PolarHBondContact O-N 2.8Å; L73-Q77 HydrophobicContact CD1-CB 3.79Å; L73-Q77 HydrophobicContact CD1-CG 4.31Å; L73-Q77 HydrophobicContact CD2-CB 3.92Å; L73-Q77 HydrophobicContact CG-CB 3.72Å; L73-K78 HydrophobicContact CD2-CG 4.27Å; L73-K78 WeakPolarHBondContact O-CE 3.21Å |
| 74 | P | 63.2 | Low | 61.1 | Low | 83 Ų | 83 | 127.2 Ų | 127.2 | 54% | 0.539 | 63% | 0.629 | S | S | . | * | | | trans | -54.9 | 140 | 175.8 | -22.3 | 32.6 | 0 | 0 | 0 | 110.4 | F72 S76 Q77 | F72-P74 WeakPolarHBondContact O-CD 3.48Å; P74-S76 PolarHBondContact O-N 2.95Å; P74-Q77 PolarHBondContact O-N 3.21Å |
| 75 | T | 62.4 | Low | 61.3 | Low | 113 Ų | 113 | 129 Ų | 129 | 69% | 0.693 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | -19.8 | -178.4 | 48.7 | 0 | 0 | 0 | 0 | 113.8 | L73 | L73-T75 PolarHBondContact O-N 2.8Š|
| 76 | S | 59.5 | Low | 61.5 | Low | 92 Ų | 92 | 127.4 Ų | 127.4 | 64% | 0.643 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -31.8 | 172.6 | 176.7 | 0 | 0 | 0 | 0 | 113.6 | P74 | P74-S76 PolarHBondContact O-N 2.95Š|
| 77 | Q | 59.1 | Low | 61.6 | Low | 108 Ų | 108 | 127.3 Ų | 127.3 | 51% | 0.505 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.1 | -14 | 179.7 | -74 | -86 | 2.4 | 0 | 0 | 112.8 | L73 P74 Q79 | L73-Q77 HydrophobicContact CD1-CB 3.79Å; L73-Q77 HydrophobicContact CD1-CG 4.31Å; L73-Q77 HydrophobicContact CD2-CB 3.92Å; L73-Q77 HydrophobicContact CG-CB 3.72Å; P74-Q77 PolarHBondContact O-N 3.21Å; Q77-Q79 PolarHBondContact O-N 3.1Å |
| 78 | K | 61.9 | Low | 61.7 | Low | 103 Ų | 103 | 128 Ų | 128 | 45% | 0.448 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.8 | -12.6 | 177.2 | -70.2 | -174.1 | -179.8 | -173 | 0 | 114 | L70 L73 | L70-K78 WeakPolarHBondContact O-CE 3.44Å; L70-K78 PolarHBondContact O-NZ 2.81Å; L73-K78 HydrophobicContact CD2-CG 4.27Å; L73-K78 WeakPolarHBondContact O-CE 3.21Å |
| 79 | Q | 62 | Low | 61.9 | Low | 146 Ų | 146 | 126.6 Ų | 126.6 | 68% | 0.682 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -11.3 | -177.8 | -58.8 | -172.1 | 24.4 | 0 | 0 | 113.7 | Q77 L81 | Q77-Q79 PolarHBondContact O-N 3.1Å; Q79-L81 VanDerWaalsContact C-N 3.33Å |
| 80 | I | 60.3 | Low | 61.9 | Low | 132 Ų | 132 | 129 Ų | 129 | 68% | 0.677 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -82.9 | -13.2 | -178.1 | -62 | 171.9 | 0 | 0 | 0 | 111.7 | | |
| 81 | L | 61.5 | Low | 62 | Low | 164 Ų | 164 | 131.8 Ų | 131.8 | 86% | 0.859 | 66% | 0.661 | S | S | * | * | | | trans | -108.4 | 76.4 | 175.4 | -152.4 | 74 | 0 | 0 | 0 | 109.7 | Q79 | Q79-L81 VanDerWaalsContact C-N 3.33Š|
| 82 | K | 55.7 | Low | 62 | Low | 261 Ų | 261 | 130.3 Ų | 130.3 | 100% | 1.135 | 66% | 0.659 | S | S | * | * | | | trans | -114.6 | 0 | 161.6 | -81.3 | -177.3 | 178.1 | 176.7 | 0 | 108.8 | | |