| 1 | G | 43.4 | Very low | 60.2 | Low | 131 Ų | 131 | 142.4 Ų | 142.4 | 100% | 1.351 | 83% | 0.827 | S | S | * | * | | | | 0 | 110.4 | 0 | 0 | 0 | 0 | 0 | 0 | 108.5 | R3 | G1-R3 PolarHBondContact O-N 3.29Š|
| 2 | L | 49.9 | Very low | 61.1 | Low | 189 Ų | 189 | 138 Ų | 138 | 99% | 0.99 | 81% | 0.807 | S | S | * | * | | | trans | -72.9 | 110.2 | 178.1 | -74.8 | 153.9 | 0 | 0 | 0 | 108.4 | | |
| 3 | R | 53 | Low | 61.9 | Low | 246 Ų | 246 | 140.1 Ų | 140.1 | 93% | 0.928 | 81% | 0.811 | S | S | * | * | | | trans | -96.3 | 96.9 | 170.6 | -129.7 | 175.6 | 175.3 | -171.6 | -2.7 | 106.6 | G1 P5 | G1-R3 PolarHBondContact O-N 3.29Å; R3-P5 WeakPolarHBondContact O-CD 3.48Å |
| 4 | S | 59.4 | Low | 62.7 | Low | 81 Ų | 81 | 146.7 Ų | 146.7 | 57% | 0.566 | 82% | 0.816 | S | S | * | * | | | trans | -71.9 | 122.5 | 169.1 | -168.8 | 0 | 0 | 0 | 0 | 108.2 | F6 | S4-F6 PolarHBondContact O-N 3.13Å; S4-F6 VanDerWaalsContact O-N 3.15Å |
| 5 | P | 57.3 | Low | 63.4 | Low | 116 Ų | 116 | 150.7 Ų | 150.7 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | | | trans | -78.9 | 95.1 | 165.6 | 31.3 | -27.5 | 0 | 0 | 0 | 106.6 | R3 A7 | R3-P5 WeakPolarHBondContact O-CD 3.48Å; P5-A7 PolarHBondContact O-N 2.81Å |
| 6 | F | 57.2 | Low | 64.4 | Low | 183 Ų | 183 | 153.4 Ų | 153.4 | 80% | 0.803 | 82% | 0.816 | S | S | * | * | | | trans | -65 | 93 | 158.6 | -72.7 | -79.3 | 0 | 0 | 0 | 106.4 | S4 S8 | S4-F6 PolarHBondContact O-N 3.13Å; S4-F6 VanDerWaalsContact O-N 3.15Å; F6-S8 PolarHBondContact O-N 2.63Å |
| 7 | A | 63.2 | Low | 65.1 | Low | 79 Ų | 79 | 155 Ų | 155 | 65% | 0.653 | 82% | 0.817 | S | S | * | * | | | trans | -56.6 | 110.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | P5 V9 | P5-A7 PolarHBondContact O-N 2.81Å; A7-V9 PolarHBondContact O-N 2.84Å |
| 8 | S | 65.4 | Low | 65.3 | Low | 120 Ų | 120 | 153.8 Ų | 153.8 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | | | trans | -64.4 | 90.8 | 172.5 | -62.6 | 0 | 0 | 0 | 0 | 108.1 | F6 K10 | F6-S8 PolarHBondContact O-N 2.63Å; S8-K10 PolarHBondContact O-N 2.68Å; S8-K10 VanDerWaalsContact O-N 3.07Å |
| 9 | V | 66 | Low | 65.9 | Low | 118 Ų | 118 | 154.9 Ų | 154.9 | 72% | 0.715 | 82% | 0.817 | S | S | * | * | | | trans | -71.1 | 103.5 | 171.5 | -178 | 0 | 0 | 0 | 0 | 106.2 | A7 T11 | A7-V9 PolarHBondContact O-N 2.84Å; V9-T11 VanDerWaalsContact C-N 3.27Å; V9-T11 HydrophobicContact CG1-CG2 4.22Å; V9-T11 PolarHBondContact O-N 2.77Å |
| 10 | K | 71.4 | Confident | 66 | Low | 203 Ų | 203 | 154.2 Ų | 154.2 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | | | trans | -72.6 | 86.7 | 177.1 | -168.9 | 148.9 | 167.8 | 176 | 0 | 108 | S8 | S8-K10 PolarHBondContact O-N 2.68Å; S8-K10 VanDerWaalsContact O-N 3.07Å |
| 11 | T | 75.9 | Confident | 65.9 | Low | 100 Ų | 100 | 152.5 Ų | 152.5 | 61% | 0.613 | 81% | 0.812 | S | S | * | * | | | trans | -68.7 | 128.1 | 175.5 | 45.2 | 0 | 0 | 0 | 0 | 108.7 | V9 L13 | V9-T11 VanDerWaalsContact C-N 3.27Å; V9-T11 HydrophobicContact CG1-CG2 4.22Å; V9-T11 PolarHBondContact O-N 2.77Å; T11-L13 PolarHBondContact O-N 3.33Å |
| 12 | P | 71.6 | Confident | 66.7 | Low | 90 Ų | 90 | 155.3 Ų | 155.3 | 58% | 0.584 | 79% | 0.789 | S | S | * | * | | | trans | -63 | 130.4 | 171.8 | 24.8 | -30.9 | 0 | 0 | 0 | 108.9 | W14 | P12-W14 PolarHBondContact O-N 3.01Å; P12-W14 VanDerWaalsContact O-N 3.17Å |
| 13 | L | 71 | Confident | 67.3 | Low | 165 Ų | 165 | 150.1 Ų | 150.1 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -67.2 | -12.7 | -175.3 | -160.8 | 81 | 0 | 0 | 0 | 113.2 | T11 R15 | T11-L13 PolarHBondContact O-N 3.33Å; L13-R15 PolarHBondContact O-N 3.12Å; L13-R15 VanDerWaalsContact O-N 3.11Å |
| 14 | W | 72.9 | Confident | 67.5 | Low | 233 Ų | 233 | 150 Ų | 150 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | | | trans | -87.5 | 84.7 | -172.8 | -38.9 | 85.5 | 0 | 0 | 0 | 109.6 | P12 | P12-W14 PolarHBondContact O-N 3.01Å; P12-W14 VanDerWaalsContact O-N 3.17Å |
| 15 | R | 73.2 | Confident | 67.4 | Low | 207 Ų | 207 | 154.7 Ų | 154.7 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | | | trans | -97.3 | 111.7 | 159.8 | -63.2 | -63.4 | -172.8 | -173.2 | 1.6 | 106.7 | L13 | L13-R15 PolarHBondContact O-N 3.12Å; L13-R15 VanDerWaalsContact O-N 3.11Å |
| 16 | K | 79.2 | Confident | 67.2 | Low | 194 Ų | 194 | 157 Ų | 157 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | trans | -94.1 | 114.6 | 165.9 | -175.7 | 174.4 | -179.9 | -178.7 | 0 | 106.3 | | |
| 17 | E | 76.9 | Confident | 66.6 | Low | 180 Ų | 180 | 155.5 Ų | 155.5 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | | | trans | -69.1 | 134.1 | 168.6 | -65 | -167.6 | 178.2 | 0 | 0 | 108.2 | E19 | E17-E19 PolarHBondContact O-N 2.66Š|
| 18 | V | 68.9 | Low | 66.2 | Low | 133 Ų | 133 | 159.2 Ų | 159.2 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | | | trans | -85.7 | 111.3 | 176 | 175.7 | 0 | 0 | 0 | 0 | 105.7 | D20 | V18-D20 PolarHBondContact O-N 2.71Š|
| 19 | E | 76.9 | Confident | 65.3 | Low | 176 Ų | 176 | 162 Ų | 162 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | | | trans | -59.6 | 125.6 | 166.3 | -166.5 | 84.7 | -121.3 | 0 | 0 | 107.8 | E17 | E17-E19 PolarHBondContact O-N 2.66Š|
| 20 | D | 67.9 | Low | 64.5 | Low | 139 Ų | 139 | 163.5 Ų | 163.5 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | | | trans | -64 | 130.3 | 171 | -103.3 | -31.4 | 0 | 0 | 0 | 108 | V18 E22 | V18-D20 PolarHBondContact O-N 2.71Å; D20-E22 VanDerWaalsContact C-N 3.26Å; D20-E22 PolarHBondContact O-N 3.15Å |
| 21 | P | 62.9 | Low | 63.1 | Low | 120 Ų | 120 | 160.3 Ų | 160.3 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | | | trans | -70.4 | 88.3 | 175.2 | 29.8 | -32.8 | 0 | 0 | 0 | 108.2 | A23 | P21-A23 PolarHBondContact O-N 2.8Å; P21-A23 VanDerWaalsContact O-N 3.14Å |
| 22 | E | 59.8 | Low | 61.8 | Low | 189 Ų | 189 | 160.5 Ų | 160.5 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | | | trans | -52.7 | 123.8 | 163.7 | -103.8 | -169.4 | 163.5 | 0 | 0 | 107.6 | D20 R24 | D20-E22 VanDerWaalsContact C-N 3.26Å; D20-E22 PolarHBondContact O-N 3.15Å; E22-R24 PolarHBondContact O-N 2.94Å |
| 23 | A | 62.4 | Low | 60.4 | Low | 81 Ų | 81 | 161.1 Ų | 161.1 | 67% | 0.669 | 80% | 0.804 | S | S | * | * | | | trans | -53.2 | 105.6 | 179 | 0 | 0 | 0 | 0 | 0 | 109 | P21 E25 | P21-A23 PolarHBondContact O-N 2.8Å; P21-A23 VanDerWaalsContact O-N 3.14Å; A23-E25 HydrophobicContact CB-CG 4.45Å; A23-E25 PolarHBondContact O-N 3.33Å |
| 24 | R | 57.2 | Low | 59.3 | Low | 244 Ų | 244 | 158.4 Ų | 158.4 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | | | trans | -66.7 | 92.8 | 161.2 | 69.2 | -172.5 | -172.6 | -124.4 | -3.6 | 106.3 | E22 | E22-R24 PolarHBondContact O-N 2.94Š|
| 25 | E | 57.2 | Low | 57.8 | Low | 178 Ų | 178 | 153.3 Ų | 153.3 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | | | trans | -68.7 | 132.2 | 165.4 | -59.8 | -158.2 | -172.1 | 0 | 0 | 107.6 | A23 | A23-E25 HydrophobicContact CB-CG 4.45Å; A23-E25 PolarHBondContact O-N 3.33Å |
| 26 | E | 54.3 | Low | 56.3 | Low | 165 Ų | 165 | 148.8 Ų | 148.8 | 77% | 0.771 | 80% | 0.799 | S | S | * | * | | | trans | -71.5 | 116.8 | -175.1 | 56.7 | -150.4 | 152.1 | 0 | 0 | 111.4 | | |
| 27 | D | 45.1 | Very low | 54.3 | Low | 152 Ų | 152 | 145 Ų | 145 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | | | trans | -102.9 | 92.7 | 155 | -102.8 | -29 | 0 | 0 | 0 | 107.7 | E29 | D27-E29 PolarHBondContact O-N 3.24Š|
| 28 | L | 54.6 | Low | 52.4 | Low | 157 Ų | 157 | 141.5 Ų | 141.5 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | | | trans | -81.6 | 90.6 | 163.7 | -85.5 | 154.7 | 0 | 0 | 0 | 107.6 | | |
| 29 | E | 46.1 | Very low | 50.9 | Low | 177 Ų | 177 | 140.4 Ų | 140.4 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | | | trans | -89.4 | 110.7 | 162.2 | -65.8 | -165.9 | 158.3 | 0 | 0 | 109.4 | D27 | D27-E29 PolarHBondContact O-N 3.24Š|
| 30 | D | 49.6 | Very low | 48.9 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | | | trans | -62.7 | 120.7 | 168.1 | -179.1 | 72.7 | 0 | 0 | 0 | 110.4 | | |
| 31 | D | 40.4 | Very low | 48.1 | Very low | 135 Ų | 135 | 136.1 Ų | 136.1 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | | | trans | -146.2 | 83.7 | 151.1 | -161.2 | -14.8 | 0 | 0 | 0 | 109.9 | S33 | D31-S33 PolarHBondContact O-N 3.47Å; D31-S33 PolarHBondContact OD1-OG 2.81Å |
| 32 | S | 48.7 | Very low | 47.2 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | -82.5 | 89.3 | 164.2 | 175.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 33 | S | 42.4 | Very low | 46.5 | Very low | 104 Ų | 104 | 136 Ų | 136 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | -114.2 | 98.5 | 166.3 | -75.6 | 0 | 0 | 0 | 0 | 111.5 | D31 | D31-S33 PolarHBondContact O-N 3.47Å; D31-S33 PolarHBondContact OD1-OG 2.81Å |
| 34 | S | 48.1 | Very low | 45.7 | Very low | 108 Ų | 108 | 142 Ų | 142 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | trans | -78.8 | 137.2 | 172.5 | -172.1 | 0 | 0 | 0 | 0 | 111 | | |
| 35 | S | 40.9 | Very low | 44.9 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | | | trans | -155.3 | 123.2 | 153.5 | -93.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 36 | S | 41.8 | Very low | 44.6 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | | | trans | -49.9 | 153 | 171.7 | -55.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 37 | S | 38.2 | Very low | 44.2 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | | 163.8 | 131.6 | 97.9 | -133.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 38 | S | 36.6 | Very low | 44.3 | Very low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | trans | 71.1 | 115.4 | 132.5 | -141.5 | 0 | 0 | 0 | 0 | 123.3 | | |
| 39 | S | 38 | Very low | 43.9 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | | 48.8 | 119.4 | 126.2 | -171.5 | 0 | 0 | 0 | 0 | 120.9 | | |
| 40 | S | 33.6 | Very low | 43.8 | Very low | 99 Ų | 99 | 127.8 Ų | 127.8 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | | | | -169.9 | 130.1 | 107.7 | -153.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 41 | V | 51.8 | Low | 43.8 | Very low | 126 Ų | 126 | 126.2 Ų | 126.2 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | | | trans | -64 | 133.9 | 154.6 | 56.4 | 0 | 0 | 0 | 0 | 107.7 | | |
| 42 | E | 43.8 | Very low | 44.2 | Very low | 178 Ų | 178 | 128.4 Ų | 128.4 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | | | trans | -139.5 | 139 | 162 | -92.7 | -68.4 | 93.1 | 0 | 0 | 108.1 | | |
| 43 | E | 44.9 | Very low | 43.9 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 60% | 0.603 | 78% | 0.776 | S | S | * | * | | | trans | -106 | 165.1 | -164.3 | 106.9 | -171.6 | 167.6 | 0 | 0 | 110.3 | | |
| 44 | R | 46.6 | Very low | 44.3 | Very low | 205 Ų | 205 | 134 Ų | 134 | 77% | 0.774 | 78% | 0.783 | S | S | * | * | | | trans | 80.2 | 123.1 | 168.8 | -38.7 | -169.6 | -177.1 | 152.4 | -0.4 | 118.7 | | |
| 45 | S | 40.4 | Very low | 44.5 | Very low | 100 Ų | 100 | 137 Ų | 137 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | | | | 166.3 | 120.5 | 84.4 | -66.2 | 0 | 0 | 0 | 0 | 109.2 | P47 | S45-P47 WeakPolarHBondContact O-CD 3.25Š|
| 46 | D | 49.6 | Very low | 44.4 | Very low | 161 Ų | 161 | 136.8 Ų | 136.8 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | | | trans | -56.3 | 140.2 | 154.7 | -82.9 | -81.6 | 0 | 0 | 0 | 109.4 | | |
| 47 | P | 46.4 | Very low | 45.2 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | | | trans | -124.7 | 118.4 | 136.6 | 32.4 | -26.6 | 0 | 0 | 0 | 111.1 | S45 S49 | S45-P47 WeakPolarHBondContact O-CD 3.25Å; P47-S49 PolarHBondContact O-N 3.07Å |
| 48 | E | 47.1 | Very low | 45.8 | Very low | 195 Ų | 195 | 139.8 Ų | 139.8 | 91% | 0.911 | 77% | 0.765 | S | S | * | * | | | trans | -47 | 112.3 | 156.9 | -76.2 | 175.5 | 85.1 | 0 | 0 | 108.7 | A50 | E48-A50 PolarHBondContact O-N 3.02Š|
| 49 | S | 47.5 | Very low | 46.1 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | | | trans | -66.8 | 115.3 | 178.6 | 166.4 | 0 | 0 | 0 | 0 | 109.7 | P47 T51 | P47-S49 PolarHBondContact O-N 3.07Å; S49-T51 PolarHBondContact O-N 2.83Å |
| 50 | A | 42.6 | Very low | 46.8 | Very low | 89 Ų | 89 | 140.5 Ų | 140.5 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | | | trans | -42.1 | 131.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E48 | E48-A50 PolarHBondContact O-N 3.02Š|
| 51 | T | 50.7 | Low | 47.5 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | | | trans | -64.4 | 161.2 | 156.2 | 49.6 | 0 | 0 | 0 | 0 | 109.8 | S49 | S49-T51 PolarHBondContact O-N 2.83Š|
| 52 | E | 49.5 | Very low | 47.7 | Very low | 180 Ų | 180 | 144.8 Ų | 144.8 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | | | trans | 90.6 | 104.1 | -179.2 | -50.6 | 169.7 | -166.3 | 0 | 0 | 111 | | |
| 53 | T | 41.5 | Very low | 48.5 | Very low | 136 Ų | 136 | 147.1 Ų | 147.1 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | | | | -162.2 | 120.7 | 84.5 | -60.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 54 | E | 51.1 | Low | 49.3 | Very low | 189 Ų | 189 | 149.2 Ų | 149.2 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | | | trans | -68.2 | 153 | 161.5 | -70.7 | -160.3 | 129.6 | 0 | 0 | 110.2 | | |
| 55 | E | 51.1 | Low | 50.1 | Low | 171 Ų | 171 | 142.4 Ų | 142.4 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | | | trans | 90.5 | 86.1 | 162.6 | -141.7 | 177.1 | 176.4 | 0 | 0 | 117 | | |
| 56 | D | 40.7 | Very low | 51.6 | Low | 122 Ų | 122 | 148.7 Ų | 148.7 | 65% | 0.652 | 77% | 0.773 | S | S | * | * | | | trans | -118.2 | 88.6 | 135.9 | -168.2 | 55.8 | 0 | 0 | 0 | 108 | R58 | D56-R58 VanDerWaalsContact C-N 3.34Å; D56-R58 PolarHBondContact O-N 3.48Å; D56-R58 VanDerWaalsContact O-N 3.13Å; D56-R58 IonicContact OD1-CZ 3.92Å; D56-R58 IonicContact OD1-NE 3.65Å |
| 57 | S | 56.9 | Low | 52.7 | Low | 92 Ų | 92 | 146.4 Ų | 146.4 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | | | trans | -72.6 | 87.5 | 164.3 | 52.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 58 | R | 50.6 | Low | 54.2 | Low | 198 Ų | 198 | 147.4 Ų | 147.4 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | | | trans | -141.4 | 116.5 | 163 | -65.9 | -171.2 | -164.2 | 157.7 | 12 | 111.2 | D56 | D56-R58 VanDerWaalsContact C-N 3.34Å; D56-R58 PolarHBondContact O-N 3.48Å; D56-R58 VanDerWaalsContact O-N 3.13Å; D56-R58 IonicContact OD1-CZ 3.92Å; D56-R58 IonicContact OD1-NE 3.65Å |
| 59 | D | 44.7 | Very low | 55.8 | Low | 135 Ų | 135 | 143.4 Ų | 143.4 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | | | trans | 65.5 | 51.4 | 143.9 | -124.2 | 21.4 | 0 | 0 | 0 | 116.5 | E61 | D59-E61 WeakPolarHBondContact OD1-CG 3.44Š|
| 60 | A | 51 | Low | 57.5 | Low | 97 Ų | 97 | 146.6 Ų | 146.6 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | | | trans | -94.9 | 43.5 | 154.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | E62 | A60-E62 PolarHBondContact O-N 3.45Š|
| 61 | E | 49.9 | Very low | 59.5 | Low | 156 Ų | 156 | 147 Ų | 147 | 73% | 0.729 | 76% | 0.76 | S | S | * | * | | | trans | -65.8 | 78.8 | 142.1 | 52.2 | -176.6 | -152.6 | 0 | 0 | 105.9 | D59 R63 | D59-E61 WeakPolarHBondContact OD1-CG 3.44Å; E61-R63 PolarHBondContact O-N 3.33Å |
| 62 | E | 55 | Low | 61.2 | Low | 158 Ų | 158 | 145.9 Ų | 145.9 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | | | trans | -16.4 | 100 | 161.3 | -177.2 | 176.7 | 175.7 | 0 | 0 | 107.5 | A60 E64 | A60-E62 PolarHBondContact O-N 3.45Å; E62-E64 PolarHBondContact O-N 3.34Å |
| 63 | R | 60.8 | Low | 62.9 | Low | 228 Ų | 228 | 144.8 Ų | 144.8 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | | | trans | -48 | 92.6 | 160.6 | -75.9 | -104.1 | -168.7 | 146.6 | 1.9 | 104.6 | E61 A65 | E61-R63 PolarHBondContact O-N 3.33Å; R63-A65 HydrophobicContact CB-CB 4.33Å; R63-A65 PolarHBondContact O-N 3.23Å |
| 64 | E | 62 | Low | 64.8 | Low | 172 Ų | 172 | 149.6 Ų | 149.6 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | | | trans | -67.1 | 63.8 | 151.8 | -66.7 | -177.9 | -172.9 | 0 | 0 | 104.4 | E62 R66 | E62-E64 PolarHBondContact O-N 3.34Å; E64-R66 PolarHBondContact O-N 2.9Å |
| 65 | A | 63.2 | Low | 66.3 | Low | 63 Ų | 63 | 149.7 Ų | 149.7 | 52% | 0.521 | 76% | 0.757 | S | S | . | * | | | trans | -60.9 | 88.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 102.2 | R63 S67 | R63-A65 HydrophobicContact CB-CB 4.33Å; R63-A65 PolarHBondContact O-N 3.23Å; A65-S67 VanDerWaalsContact O-CA 3.25Å; A65-S67 WeakPolarHBondContact O-CA 3.42Å; A65-S67 PolarHBondContact O-N 3.24Å; A65-S67 PolarHBondContact O-OG 3.12Å |
| 66 | R | 71.9 | Confident | 67.6 | Low | 231 Ų | 231 | 149.7 Ų | 149.7 | 87% | 0.872 | 76% | 0.757 | S | S | * | * | | | trans | -40.5 | 93 | -175.1 | -172.3 | 177 | -172.4 | 171.8 | 2.9 | 107.7 | E64 V68 | E64-R66 PolarHBondContact O-N 2.9Å; R66-V68 PolarHBondContact O-N 3.28Å |
| 67 | S | 72.6 | Confident | 69 | Low | 113 Ų | 113 | 148.8 Ų | 148.8 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | | | trans | -77.4 | 107.1 | -164.8 | -73 | 0 | 0 | 0 | 0 | 105.5 | A65 S69 | A65-S67 VanDerWaalsContact O-CA 3.25Å; A65-S67 WeakPolarHBondContact O-CA 3.42Å; A65-S67 PolarHBondContact O-N 3.24Å; A65-S67 PolarHBondContact O-OG 3.12Å; S67-S69 PolarHBondContact O-N 3.39Å; S67-S69 VanDerWaalsContact O-N 3.12Å |
| 68 | V | 78.4 | Confident | 69.7 | Low | 137 Ų | 137 | 147.5 Ų | 147.5 | 83% | 0.83 | 75% | 0.751 | S | S | * | * | | | trans | -77.3 | 100.5 | 177.6 | -175.8 | 0 | 0 | 0 | 0 | 106.7 | R66 Y70 | R66-V68 PolarHBondContact O-N 3.28Å; V68-Y70 PolarHBondContact O-N 2.88Å |
| 69 | S | 80.4 | Confident | 70.4 | Confident | 110 Ų | 110 | 141.8 Ų | 141.8 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | | | trans | -76 | 113.3 | 174.8 | 51.5 | 0 | 0 | 0 | 0 | 109.4 | S67 | S67-S69 PolarHBondContact O-N 3.39Å; S67-S69 VanDerWaalsContact O-N 3.12Å |
| 70 | Y | 82.3 | Confident | 71.3 | Confident | 183 Ų | 183 | 143 Ų | 143 | 72% | 0.718 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 117.8 | 170.2 | -176.8 | -105 | 0 | 0 | 0 | 109.3 | V68 P72 | V68-Y70 PolarHBondContact O-N 2.88Å; Y70-P72 HydrophobicContact CE1-CB 4.42Å |
| 71 | S | 85.3 | Confident | 72.1 | Confident | 98 Ų | 98 | 146 Ų | 146 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 116.2 | 170.4 | -68.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 72 | P | 87.3 | Confident | 72.7 | Confident | 95 Ų | 95 | 141.2 Ų | 141.2 | 62% | 0.617 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 140.8 | 179.3 | 24.7 | -32.3 | 0 | 0 | 0 | 110.7 | Y70 R74 | Y70-P72 HydrophobicContact CE1-CB 4.42Å; P72-R74 PolarHBondContact O-N 3.13Å |
| 73 | L | 84.6 | Confident | 73.3 | Confident | 156 Ų | 156 | 136.2 Ų | 136.2 | 82% | 0.817 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 136 | 177 | -68.7 | 170.7 | 0 | 0 | 0 | 110 | Q75 | L73-Q75 PolarHBondContact O-N 3.09Š|
| 74 | R | 82 | Confident | 73.6 | Confident | 238 Ų | 238 | 131.1 Ų | 131.1 | 90% | 0.898 | 70% | 0.697 | S | S | * | * | | | trans | -72.4 | 115.7 | 174 | -67.5 | -72.2 | 166.1 | 157.1 | -3.6 | 108.1 | P72 E76 | P72-R74 PolarHBondContact O-N 3.13Å; R74-E76 PolarHBondContact O-N 3.19Å |
| 75 | Q | 81.6 | Confident | 73.8 | Confident | 190 Ų | 190 | 128 Ų | 128 | 89% | 0.888 | 69% | 0.686 | S | S | * | * | | | trans | -72.6 | 114.5 | 171.4 | -178.2 | 177.3 | -23.9 | 0 | 0 | 108.6 | L73 | L73-Q75 PolarHBondContact O-N 3.09Š|
| 76 | E | 79.3 | Confident | 73.9 | Confident | 172 Ų | 172 | 133.6 Ų | 133.6 | 80% | 0.804 | 69% | 0.693 | S | S | * | * | | | trans | -75.3 | 138.4 | 172.4 | -173.4 | 160.7 | 177.1 | 0 | 0 | 110.4 | R74 S78 | R74-E76 PolarHBondContact O-N 3.19Å; E76-S78 PolarHBondContact O-N 3.17Å |
| 77 | S | 69.2 | Low | 73.6 | Confident | 102 Ų | 102 | 132.3 Ų | 132.3 | 71% | 0.713 | 69% | 0.688 | S | S | * | * | | | trans | -72.6 | 89.3 | 176.3 | 45.9 | 0 | 0 | 0 | 0 | 110 | S79 | S77-S79 PolarHBondContact O-N 3.11Š|
| 78 | S | 71.1 | Confident | 73 | Confident | 65 Ų | 65 | 130.7 Ų | 130.7 | 46% | 0.455 | 68% | 0.677 | S | S | . | * | | | trans | -72.7 | 75.8 | 171.3 | -168 | 0 | 0 | 0 | 0 | 110.2 | E76 V82 | E76-S78 PolarHBondContact O-N 3.17Å; S78-V82 WeakPolarHBondContact O-CB 3.42Å; S78-V82 WeakPolarHBondContact O-CG2 3.03Å; S78-V82 WeakPolarHBondContact OG-CG2 3.41Å |
| 79 | S | 65.8 | Low | 72.2 | Confident | 79 Ų | 79 | 127.5 Ų | 127.5 | 55% | 0.552 | 66% | 0.655 | S | S | * | * | | | trans | -88.2 | -37.7 | -175.5 | 59 | 0 | 0 | 0 | 0 | 112.2 | S77 A83 | S77-S79 PolarHBondContact O-N 3.11Å; S79-A83 WeakPolarHBondContact O-CB 3.24Å; S79-A83 PolarHBondContact O-N 3.39Å |
| 80 | Q | 64.6 | Low | 71.3 | Confident | 159 Ų | 159 | 126.6 Ų | 126.6 | 74% | 0.743 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -88.3 | -42.4 | -172 | -71.3 | 175.7 | -4.2 | 0 | 0 | 113.8 | L84 | Q80-L84 PolarHBondContact O-N 3.44Å |
| 81 | Q | 66 | Low | 70.5 | Confident | 161 Ų | 161 | 122.4 Ų | 122.4 | 75% | 0.752 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -71.7 | -36.7 | 179.7 | -67.5 | 178 | -3.1 | 0 | 0 | 111.8 | | |
| 82 | V | 63.6 | Low | 70.2 | Confident | 55 Ų | 55 | 123.4 Ų | 123.4 | 33% | 0.333 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -76.4 | -33.1 | 176.1 | -177.5 | 0 | 0 | 0 | 0 | 111.5 | S78 L84 L85 R86 | S78-V82 WeakPolarHBondContact O-CB 3.42Å; S78-V82 WeakPolarHBondContact O-CG2 3.03Å; S78-V82 WeakPolarHBondContact OG-CG2 3.41Å; V82-L84 VanDerWaalsContact C-N 3.27Å; V82-L84 PolarHBondContact O-N 3.37Å; V82-L85 PolarHBondContact O-N 3.05Å; V82-L85 VanDerWaalsContact O-N 3.13Å; V82-R86 HydrophobicContact CG1-CG 3.97Å; V82-R86 VanDerWaalsContact O-CG 3.24Å; V82-R86 WeakPolarHBondContact O-CG 3.32Å; V82-R86 PolarHBondContact O-N 3.37Å |
| 83 | A | 67.9 | Low | 69.9 | Low | 54 Ų | 54 | 126.3 Ų | 126.3 | 45% | 0.446 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -60.3 | -36.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S79 R87 | S79-A83 WeakPolarHBondContact O-CB 3.24Å; S79-A83 PolarHBondContact O-N 3.39Å; A83-R87 PolarHBondContact O-N 3.46Å; A83-R87 VanDerWaalsContact O-N 3.12Å |
| 84 | L | 66.9 | Low | 69.9 | Low | 120 Ų | 120 | 120.6 Ų | 120.6 | 63% | 0.628 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.3 | -40.2 | 174.9 | -66.8 | 175.7 | 0 | 0 | 0 | 112 | Q80 V82 R87 | Q80-L84 PolarHBondContact O-N 3.44Å; V82-L84 VanDerWaalsContact C-N 3.27Å; V82-L84 PolarHBondContact O-N 3.37Å; L84-R87 PolarHBondContact O-N 3.36Å |
| 85 | L | 65.9 | Low | 69.9 | Low | 108 Ų | 108 | 117.9 Ų | 117.9 | 57% | 0.565 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.8 | -44 | 176.1 | -172.5 | 62.8 | 0 | 0 | 0 | 111.7 | V82 R87 S88 D89 | V82-L85 PolarHBondContact O-N 3.05Å; V82-L85 VanDerWaalsContact O-N 3.13Å; L85-R87 PolarHBondContact O-N 3.39Å; L85-S88 PolarHBondContact O-N 2.87Å; L85-S88 VanDerWaalsContact O-N 3.09Å; L85-D89 PolarHBondContact O-N 3.29Å |
| 86 | R | 65.9 | Low | 69.9 | Low | 180 Ų | 180 | 113.5 Ų | 113.5 | 68% | 0.679 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.8 | -30.5 | 176.8 | -67.4 | -69.2 | -177 | 153.1 | 0.5 | 113.1 | V82 S88 | V82-R86 HydrophobicContact CG1-CG 3.97Å; V82-R86 VanDerWaalsContact O-CG 3.24Å; V82-R86 WeakPolarHBondContact O-CG 3.32Å; V82-R86 PolarHBondContact O-N 3.37Å; R86-S88 VanDerWaalsContact C-N 3.33Å |
| 87 | R | 64.2 | Low | 70.1 | Confident | 204 Ų | 204 | 107.3 Ų | 107.3 | 77% | 0.77 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.7 | -36.3 | 175.3 | -113.3 | -174.4 | -178.3 | -178 | 1.1 | 112.2 | A83 L84 L85 | A83-R87 PolarHBondContact O-N 3.46Å; A83-R87 VanDerWaalsContact O-N 3.12Å; L84-R87 PolarHBondContact O-N 3.36Å; L85-R87 PolarHBondContact O-N 3.39Å |
| 88 | S | 61.6 | Low | 70.7 | Confident | 79 Ų | 79 | 107.2 Ų | 107.2 | 55% | 0.552 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -78.5 | -32.4 | 179.7 | -56.4 | 0 | 0 | 0 | 0 | 112.8 | L85 R86 S90 S91 | L85-S88 PolarHBondContact O-N 2.87Å; L85-S88 VanDerWaalsContact O-N 3.09Å; R86-S88 VanDerWaalsContact C-N 3.33Å; S88-S90 VanDerWaalsContact C-N 3.27Å; S88-S90 PolarHBondContact O-N 3.34Å; S88-S91 PolarHBondContact O-N 3.5Å |
| 89 | D | 60.6 | Low | 71.2 | Confident | 69 Ų | 69 | 112.2 Ų | 112.2 | 37% | 0.369 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.1 | -28.1 | 177.7 | -71.3 | -37.3 | 0 | 0 | 0 | 113 | L85 S91 F92 W93 | L85-D89 PolarHBondContact O-N 3.29Å; D89-S91 VanDerWaalsContact C-N 3.28Å; D89-S91 PolarHBondContact O-N 3.15Å; D89-F92 PolarHBondContact O-N 3.42Å; D89-W93 PolarHBondContact O-N 3.46Å |
| 90 | S | 62.1 | Low | 72.1 | Confident | 92 Ų | 92 | 110.7 Ų | 110.7 | 64% | 0.643 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.2 | -32.3 | 179.5 | -178.6 | 0 | 0 | 0 | 0 | 112.8 | S88 G94 | S88-S90 VanDerWaalsContact C-N 3.27Å; S88-S90 PolarHBondContact O-N 3.34Å; S90-G94 PolarHBondContact O-N 3.22Å |
| 91 | S | 65.8 | Low | 72.9 | Confident | 95 Ų | 95 | 108 Ų | 108 | 66% | 0.664 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -82.1 | -33.9 | 179.7 | -52.2 | 0 | 0 | 0 | 0 | 111.7 | S88 D89 W93 G94 | S88-S91 PolarHBondContact O-N 3.5Å; D89-S91 VanDerWaalsContact C-N 3.28Å; D89-S91 PolarHBondContact O-N 3.15Å; S91-W93 PolarHBondContact O-N 3.38Å; S91-G94 PolarHBondContact O-N 2.99Å |
| 92 | F | 77.8 | Confident | 73.7 | Confident | 119 Ų | 119 | 106.1 Ų | 106.1 | 52% | 0.522 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.3 | -37 | -179.7 | 177.9 | -102.5 | 0 | 0 | 0 | 112.8 | D89 W95 | D89-F92 PolarHBondContact O-N 3.42Å; F92-W95 PolarHBondContact O-NE1 2.93Å |
| 93 | W | 82.1 | Confident | 74.3 | Confident | 156 Ų | 156 | 106 Ų | 106 | 59% | 0.591 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -9 | 176.8 | -62.7 | 104.3 | 0 | 0 | 0 | 113.6 | D89 S91 W95 L96 | D89-W93 PolarHBondContact O-N 3.46Å; S91-W93 PolarHBondContact O-N 3.38Å; W93-W95 VanDerWaalsContact C-N 3.27Å; W93-W95 PolarHBondContact O-N 3.11Å; W93-L96 HydrophobicContact CE3-CD1 3.4Å; W93-L96 VanDerWaalsContact CE3-CD1 3.4Å; W93-L96 HydrophobicContact CZ3-CD1 3.55Å; W93-L96 WeakPolarHBondContact O-CB 3.08Å; W93-L96 PolarHBondContact O-N 3.43Å |
| 94 | G | 83.8 | Confident | 74.3 | Confident | 36 Ų | 36 | 106.1 Ų | 106.1 | 37% | 0.371 | 57% | 0.568 | S | S | . | * | G | 310 helix | trans | -60.6 | -31.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S90 S91 L96 S97 | S90-G94 PolarHBondContact O-N 3.22Å; S91-G94 PolarHBondContact O-N 2.99Å; G94-L96 VanDerWaalsContact C-N 3.26Å; G94-L96 PolarHBondContact O-N 3.21Å; G94-S97 WeakPolarHBondContact O-CB 3.5Å; G94-S97 PolarHBondContact O-N 3.06Å; G94-S97 VanDerWaalsContact O-N 3.15Å |
| 95 | W | 82.1 | Confident | 74.2 | Confident | 181 Ų | 181 | 107.2 Ų | 107.2 | 69% | 0.686 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -70 | -16.5 | 174.9 | 69.9 | -25.5 | 0 | 0 | 0 | 114.9 | F92 W93 S97 | F92-W95 PolarHBondContact O-NE1 2.93Å; W93-W95 VanDerWaalsContact C-N 3.27Å; W93-W95 PolarHBondContact O-N 3.11Å; W95-S97 VanDerWaalsContact C-N 3.31Å |
| 96 | L | 82.3 | Confident | 74 | Confident | 97 Ų | 97 | 105.8 Ų | 105.8 | 51% | 0.508 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -91.7 | 4.5 | 172.8 | -71.6 | 163.2 | 0 | 0 | 0 | 112 | W93 G94 | W93-L96 HydrophobicContact CE3-CD1 3.4Å; W93-L96 VanDerWaalsContact CE3-CD1 3.4Å; W93-L96 HydrophobicContact CZ3-CD1 3.55Å; W93-L96 WeakPolarHBondContact O-CB 3.08Å; W93-L96 PolarHBondContact O-N 3.43Å; G94-L96 VanDerWaalsContact C-N 3.26Å; G94-L96 PolarHBondContact O-N 3.21Å |
| 97 | S | 83.5 | Confident | 73.8 | Confident | 42 Ų | 42 | 100.6 Ų | 100.6 | 29% | 0.294 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -61 | 139.2 | 172.8 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | G94 W95 F99 A100 L101 | G94-S97 WeakPolarHBondContact O-CB 3.5Å; G94-S97 PolarHBondContact O-N 3.06Å; G94-S97 VanDerWaalsContact O-N 3.15Å; W95-S97 VanDerWaalsContact C-N 3.31Å; S97-F99 PolarHBondContact O-N 3.44Å; S97-F99 PolarHBondContact OG-N 3.49Å; S97-A100 WeakPolarHBondContact O-CB 3.47Å; S97-A100 PolarHBondContact O-N 3.14Å; S97-L101 PolarHBondContact O-N 2.81Å; S97-L101 VanDerWaalsContact O-N 3.11Å |
| 98 | P | 81.6 | Confident | 73.6 | Confident | 101 Ų | 101 | 96.6 Ų | 96.6 | 66% | 0.656 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -50.4 | -33.8 | 173 | -27.1 | 34.3 | 0 | 0 | 0 | 113.4 | L102 | P98-L102 WeakPolarHBondContact O-CB 3.49Å; P98-L102 PolarHBondContact O-N 3.48Å; P98-L102 VanDerWaalsContact O-N 3.14Å |
| 99 | F | 82.1 | Confident | 73.4 | Confident | 170 Ų | 170 | 97.2 Ų | 97.2 | 75% | 0.746 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -72.2 | -35.6 | 177.5 | -67.4 | -78.7 | 0 | 0 | 0 | 113.3 | S97 L102 G103 | S97-F99 PolarHBondContact O-N 3.44Å; S97-F99 PolarHBondContact OG-N 3.49Å; F99-L102 PolarHBondContact O-N 3.41Å; F99-G103 PolarHBondContact O-N 3.47Å |
| 100 | A | 83.4 | Confident | 73.4 | Confident | 47 Ų | 47 | 101.8 Ų | 101.8 | 39% | 0.388 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -68.9 | -38.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | S97 G103 G104 | S97-A100 WeakPolarHBondContact O-CB 3.47Å; S97-A100 PolarHBondContact O-N 3.14Å; A100-G103 PolarHBondContact O-N 3.1Å; A100-G104 PolarHBondContact O-N 3.3Å |
| 101 | L | 81.9 | Confident | 73 | Confident | 103 Ų | 103 | 111.9 Ų | 111.9 | 54% | 0.539 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -64.7 | -39.4 | 175 | -64 | 175 | 0 | 0 | 0 | 112.2 | S97 G103 G104 | S97-L101 PolarHBondContact O-N 2.81Å; S97-L101 VanDerWaalsContact O-N 3.11Å; L101-G103 VanDerWaalsContact C-N 3.34Å; L101-G103 PolarHBondContact O-N 2.84Å; L101-G104 PolarHBondContact O-N 3.23Å |
| 102 | L | 82.3 | Confident | 73.4 | Confident | 120 Ų | 120 | 112.8 Ų | 112.8 | 63% | 0.628 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.5 | -34 | -180 | -158.9 | 65.5 | 0 | 0 | 0 | 112.4 | P98 F99 G104 L105 | P98-L102 WeakPolarHBondContact O-CB 3.49Å; P98-L102 PolarHBondContact O-N 3.48Å; P98-L102 VanDerWaalsContact O-N 3.14Å; F99-L102 PolarHBondContact O-N 3.41Å; L102-G104 VanDerWaalsContact C-N 3.32Å; L102-G104 PolarHBondContact O-N 2.93Å; L102-L105 HydrophobicContact CD1-CD1 4.36Å; L102-L105 PolarHBondContact O-N 3.14Å |
| 103 | G | 76.3 | Confident | 73.1 | Confident | 53 Ų | 53 | 112.4 Ų | 112.4 | 55% | 0.546 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -66.3 | -29.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114 | F99 A100 L101 L105 A106 | F99-G103 PolarHBondContact O-N 3.47Å; A100-G103 PolarHBondContact O-N 3.1Å; L101-G103 VanDerWaalsContact C-N 3.34Å; L101-G103 PolarHBondContact O-N 2.84Å; G103-L105 VanDerWaalsContact C-N 3.35Å; G103-A106 PolarHBondContact O-N 2.91Å |
| 104 | G | 67.4 | Low | 72.6 | Confident | 57 Ų | 57 | 110 Ų | 110 | 59% | 0.588 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -73.1 | -23.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A100 L101 L102 A106 | A100-G104 PolarHBondContact O-N 3.3Å; L101-G104 PolarHBondContact O-N 3.23Å; L102-G104 VanDerWaalsContact C-N 3.32Å; L102-G104 PolarHBondContact O-N 2.93Å; G104-A106 VanDerWaalsContact C-N 3.32Å |
| 105 | L | 65.1 | Low | 72 | Confident | 143 Ų | 143 | 114.4 Ų | 114.4 | 75% | 0.749 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -15 | 177.6 | -69.6 | 164.6 | 0 | 0 | 0 | 113.1 | L102 G103 A107 | L102-L105 HydrophobicContact CD1-CD1 4.36Å; L102-L105 PolarHBondContact O-N 3.14Å; G103-L105 VanDerWaalsContact C-N 3.35Å; L105-A107 VanDerWaalsContact C-N 3.31Å |
| 106 | A | 62.1 | Low | 71.3 | Confident | 77 Ų | 77 | 110.2 Ų | 110.2 | 64% | 0.636 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | 3.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G103 G104 P108 | G103-A106 PolarHBondContact O-N 2.91Å; G104-A106 VanDerWaalsContact C-N 3.32Å; A106-P108 VanDerWaalsContact O-CD 3.29Å; A106-P108 WeakPolarHBondContact O-CD 3.29Å |
| 107 | A | 62.6 | Low | 70.6 | Confident | 72 Ų | 72 | 111.1 Ų | 111.1 | 60% | 0.595 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -63.5 | 117.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | L105 A109 | L105-A107 VanDerWaalsContact C-N 3.31Å; A107-A109 PolarHBondContact O-N 3.37Å; A107-A109 VanDerWaalsContact O-N 3.1Å |
| 108 | P | 58.5 | Low | 69.7 | Low | 120 Ų | 120 | 116 Ų | 116 | 78% | 0.779 | 69% | 0.688 | S | S | * | * | | | trans | -60.9 | 121.6 | 172 | 25.6 | -30.5 | 0 | 0 | 0 | 107.1 | A106 D110 | A106-P108 VanDerWaalsContact O-CD 3.29Å; A106-P108 WeakPolarHBondContact O-CD 3.29Å; P108-D110 PolarHBondContact O-N 3.35Å |
| 109 | A | 57.6 | Low | 68.8 | Low | 91 Ų | 91 | 117.2 Ų | 117.2 | 75% | 0.752 | 69% | 0.691 | S | S | * | * | | | trans | -64.1 | 92.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | A107 R111 | A107-A109 PolarHBondContact O-N 3.37Å; A107-A109 VanDerWaalsContact O-N 3.1Å; A109-R111 PolarHBondContact O-N 3.01Å |
| 110 | D | 60.7 | Low | 67.7 | Low | 165 Ų | 165 | 112.8 Ų | 112.8 | 88% | 0.882 | 69% | 0.686 | S | S | * | * | | | trans | -58.9 | 118.8 | 169.8 | -156.2 | 28.2 | 0 | 0 | 0 | 106.6 | P108 | P108-D110 PolarHBondContact O-N 3.35Š|
| 111 | R | 54.1 | Low | 66.2 | Low | 305 Ų | 305 | 118.7 Ų | 118.7 | 100% | 1.151 | 71% | 0.713 | S | S | * | * | | | trans | -93.5 | 0 | -177.7 | -67.3 | -166.6 | -179.2 | -169.9 | 1 | 110.2 | A109 | A109-R111 PolarHBondContact O-N 3.01Š|