| 1 | M | 46.3 | Very low | 59.9 | Low | 248 Ų | 248 | 172.4 Ų | 172.4 | 100% | 1.222 | 86% | 0.861 | S | S | * | * | | | | 0 | 130.9 | 0 | -71 | -167.2 | 73.1 | 0 | 0 | 108.7 | | |
| 2 | A | 62.9 | Low | 59.6 | Low | 101 Ų | 101 | 168.4 Ų | 168.4 | 84% | 0.835 | 85% | 0.853 | S | S | * | * | | | trans | -119.4 | 129.4 | -180 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 3 | P | 67.3 | Low | 59.1 | Low | 115 Ų | 115 | 163 Ų | 163 | 75% | 0.747 | 84% | 0.84 | S | S | * | * | | | trans | -96.4 | 132.7 | 169.8 | 34.5 | -25.8 | 0 | 0 | 0 | 109 | | |
| 4 | K | 58.3 | Low | 58.7 | Low | 205 Ų | 205 | 163.5 Ų | 163.5 | 89% | 0.891 | 84% | 0.837 | S | S | * | * | | | trans | 173.2 | 102.2 | 151.1 | -97.3 | 153.8 | -174.2 | 178.7 | 0 | 110.1 | | |
| 5 | K | 62.3 | Low | 58.6 | Low | 213 Ų | 213 | 162.5 Ų | 162.5 | 93% | 0.926 | 83% | 0.832 | S | S | * | * | | | trans | -129.8 | 119.5 | 147.3 | -76.6 | -133.5 | 175.6 | -171.9 | 0 | 108.2 | | |
| 6 | R | 69.8 | Low | 58.3 | Low | 239 Ų | 239 | 159.2 Ų | 159.2 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | | | trans | -74.4 | 149 | 170.6 | -69.5 | 178.4 | 173.2 | 132.2 | -5 | 109 | | |
| 7 | P | 65.7 | Low | 58.6 | Low | 107 Ų | 107 | 159.9 Ų | 159.9 | 70% | 0.695 | 83% | 0.826 | S | S | * | * | | | trans | -82.7 | 169.3 | 165.4 | 35.7 | -30 | 0 | 0 | 0 | 110.3 | | |
| 8 | E | 55.2 | Low | 58.7 | Low | 166 Ų | 166 | 163.7 Ų | 163.7 | 78% | 0.776 | 83% | 0.828 | S | S | * | * | | | trans | 89.3 | 100 | 165.8 | -56 | -178.8 | 111.8 | 0 | 0 | 117.9 | | |
| 9 | T | 54 | Low | 58.7 | Low | 138 Ų | 138 | 160.9 Ų | 160.9 | 85% | 0.847 | 82% | 0.823 | S | S | * | * | | | | -142.7 | 108.4 | 126.9 | -34.7 | 0 | 0 | 0 | 0 | 108 | K11 | T9-K11 PolarHBondContact O-N 3.39Š|
| 10 | Q | 59.5 | Low | 58.3 | Low | 160 Ų | 160 | 163.3 Ų | 163.3 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | | | trans | -54.8 | 121.3 | 168.2 | -66.2 | 171.9 | -7.5 | 0 | 0 | 108.3 | T12 | Q10-T12 PolarHBondContact O-N 3.02Š|
| 11 | K | 57.6 | Low | 58 | Low | 204 Ų | 204 | 162 Ų | 162 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | | | trans | -87.7 | 97.9 | 165.9 | -89.4 | -168.8 | 173.7 | -174.8 | 0 | 108.4 | T9 S13 | T9-K11 PolarHBondContact O-N 3.39Å; K11-S13 PolarHBondContact O-N 3.29Å |
| 12 | T | 55.7 | Low | 58.7 | Low | 125 Ų | 125 | 157.5 Ų | 157.5 | 77% | 0.767 | 79% | 0.79 | S | S | * | * | | | trans | -60.5 | 96.2 | 163.5 | -36.1 | 0 | 0 | 0 | 0 | 108.3 | Q10 E14 | Q10-T12 PolarHBondContact O-N 3.02Å; T12-E14 PolarHBondContact O-N 3.02Å; T12-E14 VanDerWaalsContact O-N 3.16Å |
| 13 | S | 54.1 | Low | 58.6 | Low | 98 Ų | 98 | 163.7 Ų | 163.7 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | | | trans | -82.2 | 86 | 160.7 | 53.8 | 0 | 0 | 0 | 0 | 107.1 | K11 I15 | K11-S13 PolarHBondContact O-N 3.29Å; S13-I15 PolarHBondContact O-N 2.93Å |
| 14 | E | 52.4 | Low | 57.7 | Low | 170 Ų | 170 | 163.3 Ų | 163.3 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | | | trans | -56.5 | 89.4 | 159.8 | -173 | 178.4 | -178 | 0 | 0 | 107.5 | T12 V16 | T12-E14 PolarHBondContact O-N 3.02Å; T12-E14 VanDerWaalsContact O-N 3.16Å; E14-V16 VanDerWaalsContact C-N 3.29Å; E14-V16 PolarHBondContact O-N 2.9Å |
| 15 | I | 58 | Low | 57.7 | Low | 148 Ų | 148 | 165.3 Ų | 165.3 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | | | trans | -73.1 | 96.7 | 173.9 | -63.1 | 170.2 | 0 | 0 | 0 | 106 | S13 L17 | S13-I15 PolarHBondContact O-N 2.93Å; I15-L17 PolarHBondContact O-N 2.78Å; I15-L17 VanDerWaalsContact O-N 3.13Å |
| 16 | V | 53.6 | Low | 57.4 | Low | 110 Ų | 110 | 159.8 Ų | 159.8 | 67% | 0.667 | 78% | 0.781 | S | S | * | * | | | trans | -33.4 | 110.8 | 171.2 | 178.9 | 0 | 0 | 0 | 0 | 111.3 | E14 R18 | E14-V16 VanDerWaalsContact C-N 3.29Å; E14-V16 PolarHBondContact O-N 2.9Å; V16-R18 HydrophobicContact CG1-CG 4.18Å; V16-R18 PolarHBondContact O-N 3.16Å |
| 17 | L | 63.9 | Low | 56.6 | Low | 172 Ų | 172 | 153.5 Ų | 153.5 | 90% | 0.901 | 77% | 0.772 | S | S | * | * | | | trans | -64.8 | 98 | 163.4 | -73.3 | 166.3 | 0 | 0 | 0 | 108.6 | I15 | I15-L17 PolarHBondContact O-N 2.78Å; I15-L17 VanDerWaalsContact O-N 3.13Å |
| 18 | R | 59.6 | Low | 56.3 | Low | 228 Ų | 228 | 155.4 Ų | 155.4 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | | | trans | -89.3 | 120.1 | 165.2 | -91.5 | -75.3 | -157.8 | 172 | 4.3 | 109.4 | V16 | V16-R18 HydrophobicContact CG1-CG 4.18Å; V16-R18 PolarHBondContact O-N 3.16Å |
| 19 | P | 59 | Low | 56.1 | Low | 111 Ų | 111 | 156.4 Ų | 156.4 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | | | trans | -88.2 | 154.9 | 178.5 | 33 | -32.1 | 0 | 0 | 0 | 113 | | |
| 20 | R | 51.7 | Low | 56.1 | Low | 207 Ų | 207 | 156.6 Ų | 156.6 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | | | trans | 77.5 | 102.2 | 162.1 | -94.4 | 176 | 173 | 171.2 | 2.3 | 118.4 | K22 | R20-K22 HydrophobicContact CG-CG 4.43Š|
| 21 | N | 50.6 | Low | 55.9 | Low | 136 Ų | 136 | 156.3 Ų | 156.3 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | -86.1 | 109.7 | 139.4 | -178.5 | -26.1 | 0 | 0 | 0 | 108.4 | R23 | N21-R23 PolarHBondContact OD1-N 3.18Å; N21-R23 PolarHBondContact OD1-O 3.21Å |
| 22 | K | 62.6 | Low | 55.9 | Low | 155 Ų | 155 | 152.5 Ų | 152.5 | 67% | 0.674 | 77% | 0.77 | S | S | * | * | | | trans | -105.4 | 81.2 | 159.6 | -82.3 | -150 | 179.2 | -168.2 | 0 | 108.4 | R20 | R20-K22 HydrophobicContact CG-CG 4.43Š|
| 23 | R | 60.6 | Low | 56 | Low | 231 Ų | 231 | 155.1 Ų | 155.1 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | | | trans | 169.9 | 101.6 | 157.6 | -101.3 | 163.4 | 178.7 | 171.7 | -0.2 | 109.7 | N21 | N21-R23 PolarHBondContact OD1-N 3.18Å; N21-R23 PolarHBondContact OD1-O 3.21Å |
| 24 | S | 48.2 | Very low | 56.4 | Low | 106 Ų | 106 | 154.7 Ų | 154.7 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | | | | -169.9 | 99.5 | 122.8 | 62.3 | 0 | 0 | 0 | 0 | 107.7 | S26 | S24-S26 PolarHBondContact O-N 3.13Š|
| 25 | R | 57.3 | Low | 56.8 | Low | 248 Ų | 248 | 156 Ų | 156 | 94% | 0.936 | 78% | 0.779 | S | S | * | * | | | trans | -66.4 | 107.2 | 158.5 | -167.5 | -175.9 | -161.6 | -178.9 | 4.3 | 105.2 | | |
| 26 | S | 56 | Low | 56.7 | Low | 96 Ų | 96 | 158.4 Ų | 158.4 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | | | trans | -119.4 | 104 | 170.3 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | S24 | S24-S26 PolarHBondContact O-N 3.13Š|
| 27 | P | 54 | Low | 56.9 | Low | 108 Ų | 108 | 161.8 Ų | 161.8 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | | | trans | -102.6 | 96.2 | 147.2 | 30.3 | -14.9 | 0 | 0 | 0 | 106.6 | | |
| 28 | L | 58 | Low | 56.5 | Low | 146 Ų | 146 | 159 Ų | 159 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | | | trans | -136.8 | 68.2 | 164.8 | -153.2 | 85.3 | 0 | 0 | 0 | 108.4 | | |
| 29 | E | 51.9 | Low | 56.2 | Low | 188 Ų | 188 | 152.7 Ų | 152.7 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | | | trans | -111 | 117.5 | 148.4 | -117.1 | -88 | 127.9 | 0 | 0 | 104.2 | | |
| 30 | L | 53.3 | Low | 56.2 | Low | 141 Ų | 141 | 158 Ų | 158 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | | | trans | -74.2 | 129.8 | -168.5 | -154.1 | 103.6 | 0 | 0 | 0 | 108.3 | | |
| 31 | E | 56.1 | Low | 56.3 | Low | 155 Ų | 155 | 151.4 Ų | 151.4 | 72% | 0.724 | 80% | 0.796 | S | S | * | * | | | trans | -45.1 | 127.7 | 169.2 | -84.6 | -78.3 | 122.6 | 0 | 0 | 111.1 | E33 | E31-E33 PolarHBondContact O-N 3.27Š|
| 32 | P | 57.2 | Low | 56.3 | Low | 123 Ų | 123 | 151 Ų | 151 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | | | trans | -78 | 72.5 | 162.8 | 31.5 | -30.9 | 0 | 0 | 0 | 109.2 | A34 | P32-A34 PolarHBondContact O-N 3.13Å; P32-A34 VanDerWaalsContact O-N 3.13Å |
| 33 | E | 58.1 | Low | 56 | Low | 181 Ų | 181 | 146.3 Ų | 146.3 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | | | trans | -73.6 | 94.8 | 158.7 | -95.7 | -164.1 | 122.2 | 0 | 0 | 109 | E31 | E31-E33 PolarHBondContact O-N 3.27Š|
| 34 | A | 63.2 | Low | 55.4 | Low | 88 Ų | 88 | 142.1 Ų | 142.1 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | trans | -162.6 | 114.7 | 145.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P32 | P32-A34 PolarHBondContact O-N 3.13Å; P32-A34 VanDerWaalsContact O-N 3.13Å |
| 35 | K | 60.3 | Low | 55.3 | Low | 199 Ų | 199 | 142.3 Ų | 142.3 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | | | trans | 81.1 | 92 | 170.8 | -59 | 172.4 | 174.4 | 176.6 | 0 | 114.8 | | |
| 36 | K | 54.9 | Low | 55.4 | Low | 197 Ų | 197 | 141 Ų | 141 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | | | | -147.7 | 103.6 | 99.2 | -69.1 | -140.5 | 175.9 | -164.1 | 0 | 110.6 | C38 | K36-C38 PolarHBondContact O-N 2.97Š|
| 37 | L | 58.9 | Low | 55.4 | Low | 182 Ų | 182 | 146.6 Ų | 146.6 | 95% | 0.953 | 81% | 0.805 | S | S | * | * | | | trans | -69.7 | 88.9 | 155.2 | -71.5 | 169.4 | 0 | 0 | 0 | 107.3 | | |
| 38 | C | 56.2 | Low | 54.6 | Low | 113 Ų | 113 | 147.3 Ų | 147.3 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | | | trans | -121.9 | 110.5 | 152.7 | -77.5 | 0 | 0 | 0 | 0 | 106.3 | K36 | K36-C38 PolarHBondContact O-N 2.97Š|
| 39 | A | 52.8 | Low | 54.3 | Low | 96 Ų | 96 | 148 Ų | 148 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | | | trans | -52.5 | 144.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G41 | A39-G41 PolarHBondContact O-N 3.06Å; A39-G41 VanDerWaalsContact O-N 3.14Å |
| 40 | K | 58.6 | Low | 54.1 | Low | 222 Ų | 222 | 142.6 Ų | 142.6 | 97% | 0.965 | 80% | 0.798 | S | S | * | * | | | trans | -43.5 | 117.3 | 157.4 | -99.9 | 175.4 | 165.1 | -174.2 | 0 | 109.3 | | |
| 41 | G | 54 | Low | 54.1 | Low | 69 Ų | 69 | 143.7 Ų | 143.7 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | | | trans | -161.2 | 90.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A39 | A39-G41 PolarHBondContact O-N 3.06Å; A39-G41 VanDerWaalsContact O-N 3.14Å |
| 42 | S | 50.3 | Low | 53.7 | Low | 127 Ų | 127 | 141 Ų | 141 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | | | trans | 76.6 | 129 | 161.7 | -139.4 | 0 | 0 | 0 | 0 | 119.2 | | |
| 43 | G | 55.8 | Low | 53.5 | Low | 57 Ų | 57 | 142.1 Ų | 142.1 | 59% | 0.588 | 80% | 0.801 | S | S | * | * | | | trans | -70.7 | -173.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S45 | G43-S45 PolarHBondContact O-N 3.48Š|
| 44 | P | 48.1 | Very low | 53 | Low | 143 Ų | 143 | 144.3 Ų | 144.3 | 93% | 0.929 | 80% | 0.801 | S | S | * | * | | | trans | -75.7 | 87.9 | -164.8 | 31.9 | -33.3 | 0 | 0 | 0 | 110.6 | | |
| 45 | S | 46.3 | Very low | 52.3 | Low | 110 Ų | 110 | 146 Ų | 146 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | trans | -84.1 | 116.1 | 173.7 | -176.6 | 0 | 0 | 0 | 0 | 110.3 | G43 | G43-S45 PolarHBondContact O-N 3.48Š|
| 46 | R | 60.1 | Low | 51.8 | Low | 221 Ų | 221 | 139.6 Ų | 139.6 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -2.8 | 134.2 | 160.6 | -62.2 | -169.7 | -159.3 | -123.1 | 6.8 | 117.4 | | |
| 47 | R | 55.1 | Low | 51.7 | Low | 213 Ų | 213 | 137.2 Ų | 137.2 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | 74 | 92.8 | 154.1 | -63.9 | 179.7 | -179.2 | -168.7 | -0.3 | 116 | | |
| 48 | C | 37.2 | Very low | 51.1 | Low | 122 Ų | 122 | 133.2 Ų | 133.2 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | | | trans | -121.2 | 82.4 | 140.3 | -65.4 | 0 | 0 | 0 | 0 | 107.6 | S50 | C48-S50 VanDerWaalsContact C-N 3.26Å; C48-S50 PolarHBondContact O-N 3.32Å |
| 49 | D | 51.2 | Low | 51 | Low | 160 Ų | 160 | 130.3 Ų | 130.3 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | | | trans | -70.4 | 93.6 | 147.7 | -76.4 | -57.1 | 0 | 0 | 0 | 105.6 | | |
| 50 | S | 49.2 | Very low | 51.1 | Low | 76 Ų | 76 | 131.8 Ų | 131.8 | 53% | 0.531 | 77% | 0.773 | S | S | . | * | | | trans | -151.7 | 119.8 | 163.1 | 65.1 | 0 | 0 | 0 | 0 | 107.2 | C48 C52 | C48-S50 VanDerWaalsContact C-N 3.26Å; C48-S50 PolarHBondContact O-N 3.32Å; S50-C52 PolarHBondContact O-N 2.85Å |
| 51 | D | 53.9 | Low | 50.7 | Low | 163 Ų | 163 | 129.9 Ų | 129.9 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | | | trans | -57.9 | 65.3 | -174.9 | -58 | -65.9 | 0 | 0 | 0 | 114.2 | L53 | D51-L53 VanDerWaalsContact C-N 3.27Å; D51-L53 PolarHBondContact O-N 3.29Å; D51-L53 VanDerWaalsContact O-N 3.13Å |
| 52 | C | 46.3 | Very low | 50.8 | Low | 100 Ų | 100 | 134.4 Ų | 134.4 | 68% | 0.676 | 77% | 0.774 | S | S | * | * | | | trans | -85.2 | 82.6 | 164.6 | -63 | 0 | 0 | 0 | 0 | 106.9 | S50 W54 | S50-C52 PolarHBondContact O-N 2.85Å; C52-W54 PolarHBondContact O-N 3.24Å |
| 53 | L | 53 | Low | 51.1 | Low | 146 Ų | 146 | 134.7 Ų | 134.7 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | | | trans | -30.5 | 98.2 | 165.3 | -73.8 | 154.7 | 0 | 0 | 0 | 111.2 | D51 V55 | D51-L53 VanDerWaalsContact C-N 3.27Å; D51-L53 PolarHBondContact O-N 3.29Å; D51-L53 VanDerWaalsContact O-N 3.13Å; L53-V55 HydrophobicContact CB-CB 4.23Å; L53-V55 HydrophobicContact CB-CG2 4.03Å; L53-V55 HydrophobicContact CD2-CG2 3.67Å; L53-V55 HydrophobicContact CG-CG2 4.49Å; L53-V55 PolarHBondContact O-N 2.91Å |
| 54 | W | 47.3 | Very low | 51.2 | Low | 226 Ų | 226 | 136.8 Ų | 136.8 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | | | trans | -69.3 | 41 | 164.2 | -97.3 | 84.6 | 0 | 0 | 0 | 110.9 | C52 G56 | C52-W54 PolarHBondContact O-N 3.24Å; W54-G56 VanDerWaalsContact C-N 3.31Å |
| 55 | V | 48.4 | Very low | 51.6 | Low | 124 Ų | 124 | 135.7 Ų | 135.7 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | | | trans | -90.2 | 7.5 | -176 | 170.6 | 0 | 0 | 0 | 0 | 111.9 | L53 | L53-V55 HydrophobicContact CB-CB 4.23Å; L53-V55 HydrophobicContact CB-CG2 4.03Å; L53-V55 HydrophobicContact CD2-CG2 3.67Å; L53-V55 HydrophobicContact CG-CG2 4.49Å; L53-V55 PolarHBondContact O-N 2.91Å |
| 56 | G | 51.2 | Low | 52.1 | Low | 65 Ų | 65 | 134.4 Ų | 134.4 | 67% | 0.67 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -128.6 | -5.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | W54 | W54-G56 VanDerWaalsContact C-N 3.31Š|
| 57 | L | 51 | Low | 52.4 | Low | 146 Ų | 146 | 131.6 Ų | 131.6 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | | | trans | -135.1 | 22.8 | -169.9 | -86.9 | 159.1 | 0 | 0 | 0 | 115 | G59 | L57-G59 PolarHBondContact O-N 3.37Å; L57-G59 VanDerWaalsContact O-N 3.14Å |
| 58 | A | 48.4 | Very low | 53.6 | Low | 98 Ų | 98 | 124.4 Ų | 124.4 | 81% | 0.81 | 72% | 0.722 | S | S | * | * | | | trans | -80 | 62.6 | 146.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 59 | G | 53.9 | Low | 55.9 | Low | 53 Ų | 53 | 121.2 Ų | 121.2 | 55% | 0.546 | 70% | 0.697 | S | S | . | * | | | trans | -55.6 | 127.6 | 158 | 0 | 0 | 0 | 0 | 0 | 106.1 | L57 Q61 | L57-G59 PolarHBondContact O-N 3.37Å; L57-G59 VanDerWaalsContact O-N 3.14Å; G59-Q61 PolarHBondContact O-N 3.37Å; G59-Q61 VanDerWaalsContact O-N 3.07Å |
| 60 | P | 53.6 | Low | 57.6 | Low | 127 Ų | 127 | 118.9 Ų | 118.9 | 83% | 0.825 | 69% | 0.688 | S | S | * | * | | | trans | -51.6 | 127.1 | 178.1 | 20 | -29.6 | 0 | 0 | 0 | 106.9 | I62 | P60-I62 PolarHBondContact O-N 3.09Å; P60-I62 VanDerWaalsContact O-N 3.17Å |
| 61 | Q | 51.1 | Low | 59.4 | Low | 182 Ų | 182 | 121.7 Ų | 121.7 | 85% | 0.85 | 69% | 0.687 | S | S | * | * | | | trans | -29.6 | 122.9 | 179.5 | -70.5 | 169.3 | 19.4 | 0 | 0 | 109.9 | G59 L63 | G59-Q61 PolarHBondContact O-N 3.37Å; G59-Q61 VanDerWaalsContact O-N 3.07Å; Q61-L63 PolarHBondContact O-N 3.26Å |
| 62 | I | 56.1 | Low | 61 | Low | 163 Ų | 163 | 114.6 Ų | 114.6 | 84% | 0.836 | 65% | 0.649 | S | S | * | * | | | trans | -22.6 | 106 | 163.3 | -64.2 | 158.9 | 0 | 0 | 0 | 107.5 | P60 P64 | P60-I62 PolarHBondContact O-N 3.09Å; P60-I62 VanDerWaalsContact O-N 3.17Å; I62-P64 VanDerWaalsContact O-N 3.16Å |
| 63 | L | 56.3 | Low | 63 | Low | 134 Ų | 134 | 113.4 Ų | 113.4 | 70% | 0.702 | 64% | 0.636 | S | S | * | * | | | trans | -42 | 128 | -177.7 | -76.1 | 156.6 | 0 | 0 | 0 | 107.5 | Q61 | Q61-L63 PolarHBondContact O-N 3.26Š|
| 64 | P | 56.9 | Low | 64.8 | Low | 101 Ų | 101 | 111.5 Ų | 111.5 | 66% | 0.656 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -48 | 131.4 | -177.8 | 21.3 | -32.3 | 0 | 0 | 0 | 106.7 | I62 C66 | I62-P64 VanDerWaalsContact O-N 3.16Å; P64-C66 WeakPolarHBondContact O-CA 3.37Å; P64-C66 PolarHBondContact O-N 3.23Å; P64-C66 PolarHBondContact O-SG 2.98Å |
| 65 | P | 57.2 | Low | 66.9 | Low | 120 Ų | 120 | 104 Ų | 104 | 78% | 0.779 | 60% | 0.597 | S | S | * | * | | | trans | -53.4 | 90.8 | -154.6 | 19.1 | -32.2 | 0 | 0 | 0 | 110.6 | R67 | P65-R67 PolarHBondContact O-N 3.04Š|
| 66 | C | 57.2 | Low | 69 | Low | 82 Ų | 82 | 101.4 Ų | 101.4 | 55% | 0.554 | 58% | 0.577 | S | S | * | * | | | trans | -64.2 | 119.1 | -174.3 | -71 | 0 | 0 | 0 | 0 | 103.6 | P64 S68 | P64-C66 WeakPolarHBondContact O-CA 3.37Å; P64-C66 PolarHBondContact O-N 3.23Å; P64-C66 PolarHBondContact O-SG 2.98Å; C66-S68 VanDerWaalsContact C-N 3.28Å; C66-S68 PolarHBondContact O-N 3.34Å |
| 67 | R | 66.1 | Low | 71 | Confident | 163 Ų | 163 | 107.1 Ų | 107.1 | 62% | 0.615 | 58% | 0.583 | S | S | * | * | | | trans | -65.4 | 98.6 | 178.5 | -67.8 | -174.6 | 169.4 | -168.1 | -0.9 | 105.9 | P65 I69 T72 | P65-R67 PolarHBondContact O-N 3.04Å; R67-I69 PolarHBondContact O-N 3.43Å; R67-T72 HydrophobicContact CB-CG2 4.12Å |
| 68 | S | 81.1 | Confident | 73 | Confident | 61 Ų | 61 | 104.7 Ų | 104.7 | 43% | 0.427 | 57% | 0.571 | S | S | . | * | | | trans | -46.3 | 127.8 | 177.8 | 167.8 | 0 | 0 | 0 | 0 | 110.1 | C66 V70 R71 T72 | C66-S68 VanDerWaalsContact C-N 3.28Å; C66-S68 PolarHBondContact O-N 3.34Å; S68-V70 PolarHBondContact O-N 3.35Å; S68-V70 PolarHBondContact OG-N 2.86Å; S68-R71 WeakPolarHBondContact O-CA 3.27Å; S68-R71 VanDerWaalsContact O-CB 3.27Å; S68-R71 WeakPolarHBondContact O-CB 3.24Å; S68-R71 PolarHBondContact O-N 2.95Å; S68-T72 PolarHBondContact O-N 3.24Å |
| 69 | I | 84.6 | Confident | 75.1 | Confident | 56 Ų | 56 | 103.3 Ų | 103.3 | 29% | 0.287 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -52 | -39.2 | 177.2 | -63.8 | 168.8 | 0 | 0 | 0 | 110.7 | R67 R71 T72 L73 L90 S93 | R67-I69 PolarHBondContact O-N 3.43Å; I69-R71 VanDerWaalsContact C-N 3.27Å; I69-R71 PolarHBondContact O-N 3.23Å; I69-T72 WeakPolarHBondContact CA-OG1 3.45Å; I69-T72 PolarHBondContact O-N 3.06Å; I69-T72 PolarHBondContact O-OG1 3.09Å; I69-L73 HydrophobicContact CG2-CD1 3.83Å; I69-L73 HydrophobicContact CG2-CG 4.23Å; I69-L73 WeakPolarHBondContact O-CB 3.37Å; I69-L73 VanDerWaalsContact O-CG 3.3Å; I69-L73 WeakPolarHBondContact O-CG 3.37Å; I69-L73 PolarHBondContact O-N 3.26Å; I69-L90 HydrophobicContact CB-CD2 4.41Å; I69-L90 HydrophobicContact CD1-CD2 4.25Å; I69-L90 HydrophobicContact CG1-CD2 4.17Å; I69-L90 HydrophobicContact CG2-CD2 3.42Å; I69-L90 VanDerWaalsContact CG2-CD2 3.42Å; I69-S93 WeakPolarHBondContact CD1-OG 3.37Å; I69-S93 WeakPolarHBondContact CG1-OG 3.27Å |
| 70 | V | 85.9 | Confident | 76.8 | Confident | 111 Ų | 111 | 110 Ų | 110 | 67% | 0.673 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60.5 | -41 | 177 | -177.8 | 0 | 0 | 0 | 0 | 110.6 | S68 H74 | S68-V70 PolarHBondContact O-N 3.35Å; S68-V70 PolarHBondContact OG-N 2.86Å; V70-H74 VanDerWaalsContact O-CB 3.27Å; V70-H74 WeakPolarHBondContact O-CB 3.38Å; V70-H74 PolarHBondContact O-N 3.23Å |
| 71 | R | 87.1 | Confident | 78.5 | Confident | 135 Ų | 135 | 105 Ų | 105 | 51% | 0.509 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.4 | -41.7 | 177.6 | -164.7 | 176.2 | 72.2 | 171.6 | 0.2 | 111.5 | S68 I69 H74 Q75 | S68-R71 WeakPolarHBondContact O-CA 3.27Å; S68-R71 VanDerWaalsContact O-CB 3.27Å; S68-R71 WeakPolarHBondContact O-CB 3.24Å; S68-R71 PolarHBondContact O-N 2.95Å; I69-R71 VanDerWaalsContact C-N 3.27Å; I69-R71 PolarHBondContact O-N 3.23Å; R71-H74 PolarHBondContact O-N 2.96Å; R71-Q75 VanDerWaalsContact O-CG 3.24Å; R71-Q75 WeakPolarHBondContact O-CG 3.5Å; R71-Q75 PolarHBondContact O-N 3.4Å |
| 72 | T | 87.6 | Confident | 80.3 | Confident | 14 Ų | 14 | 99.9 Ų | 99.9 | 9% | 0.086 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -67.7 | -41.6 | 179.3 | 57.7 | 0 | 0 | 0 | 0 | 111.8 | R67 S68 I69 Q75 H76 | R67-T72 HydrophobicContact CB-CG2 4.12Å; S68-T72 PolarHBondContact O-N 3.24Å; I69-T72 WeakPolarHBondContact CA-OG1 3.45Å; I69-T72 PolarHBondContact O-N 3.06Å; I69-T72 PolarHBondContact O-OG1 3.09Å; T72-Q75 PolarHBondContact O-N 3.19Å; T72-H76 PolarHBondContact O-N 2.98Å; T72-H76 VanDerWaalsContact O-N 3.09Å |
| 73 | L | 89.1 | Confident | 81.9 | Confident | 75 Ų | 75 | 98.7 Ų | 98.7 | 39% | 0.393 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 173.9 | -70.1 | 173.5 | 0 | 0 | 0 | 112.1 | I69 Q75 H76 K77 V86 | I69-L73 HydrophobicContact CG2-CD1 3.83Å; I69-L73 HydrophobicContact CG2-CG 4.23Å; I69-L73 WeakPolarHBondContact O-CB 3.37Å; I69-L73 VanDerWaalsContact O-CG 3.3Å; I69-L73 WeakPolarHBondContact O-CG 3.37Å; I69-L73 PolarHBondContact O-N 3.26Å; L73-Q75 PolarHBondContact O-N 2.88Å; L73-H76 PolarHBondContact O-N 2.78Å; L73-K77 PolarHBondContact O-N 3.12Å; L73-V86 HydrophobicContact CD2-CG1 3.8Å |
| 74 | H | 90 | Very high | 83.5 | Confident | 106 Ų | 106 | 96.2 Ų | 96.2 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 176.1 | -178.7 | -105.7 | 0 | 0 | 0 | 111.8 | V70 R71 H76 K77 L78 | V70-H74 VanDerWaalsContact O-CB 3.27Å; V70-H74 WeakPolarHBondContact O-CB 3.38Å; V70-H74 PolarHBondContact O-N 3.23Å; R71-H74 PolarHBondContact O-N 2.96Å; H74-H76 VanDerWaalsContact C-N 3.29Å; H74-H76 PolarHBondContact O-N 3.24Å; H74-K77 PolarHBondContact O-N 3.3Å; H74-L78 WeakPolarHBondContact CE1-CD1 3.3Å; H74-L78 WeakPolarHBondContact O-CG 3.46Å; H74-L78 PolarHBondContact O-N 2.99Å; H74-L78 VanDerWaalsContact O-N 3.09Å |
| 75 | Q | 91.6 | Very high | 84.8 | Confident | 69 Ų | 69 | 93.3 Ų | 93.3 | 32% | 0.322 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.3 | -34.5 | 177 | -64.8 | -65.2 | -6 | 0 | 0 | 112.6 | R71 T72 L73 L78 G79 R80 A81 | R71-Q75 VanDerWaalsContact O-CG 3.24Å; R71-Q75 WeakPolarHBondContact O-CG 3.5Å; R71-Q75 PolarHBondContact O-N 3.4Å; T72-Q75 PolarHBondContact O-N 3.19Å; L73-Q75 PolarHBondContact O-N 2.88Å; Q75-L78 PolarHBondContact O-N 3.34Å; Q75-G79 PolarHBondContact O-N 3.06Å; Q75-R80 HydrophobicContact CB-CB 4.37Å; Q75-R80 PolarHBondContact O-N 3.14Å; Q75-A81 HydrophobicContact CB-CB 3.82Å; Q75-A81 PolarHBondContact O-N 3.03Å |
| 76 | H | 92.2 | Very high | 86.2 | Confident | 69 Ų | 69 | 87.6 Ų | 87.6 | 32% | 0.319 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.5 | -43.5 | 174.7 | -179.9 | -97.1 | 0 | 0 | 0 | 112.3 | T72 L73 H74 L78 G79 A81 W83 V86 | T72-H76 PolarHBondContact O-N 2.98Å; T72-H76 VanDerWaalsContact O-N 3.09Å; L73-H76 PolarHBondContact O-N 2.78Å; H74-H76 VanDerWaalsContact C-N 3.29Å; H74-H76 PolarHBondContact O-N 3.24Å; H76-L78 PolarHBondContact O-N 3.43Å; H76-G79 PolarHBondContact O-N 2.99Å; H76-A81 PolarHBondContact CD2-O 3.03Å; H76-W83 AromaticContact CE1-CE3 3.79Å; H76-W83 AromaticContact NE2-CE3 3.65Å; H76-V86 HydrophobicContact CB-CG2 3.51Å |
| 77 | K | 93.2 | Very high | 87.7 | Confident | 185 Ų | 185 | 88 Ų | 88 | 80% | 0.804 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -59.6 | -30.6 | 173.8 | -68.8 | -174.4 | 88.7 | -176.3 | 0 | 112.3 | L73 H74 G79 | L73-K77 PolarHBondContact O-N 3.12Å; H74-K77 PolarHBondContact O-N 3.3Å; K77-G79 VanDerWaalsContact C-N 3.29Å |
| 78 | L | 94.5 | Very high | 88.6 | Confident | 95 Ų | 95 | 85.4 Ų | 85.4 | 50% | 0.497 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 0.1 | 174.9 | -65.7 | 179 | 0 | 0 | 0 | 114.1 | H74 Q75 H76 R80 | H74-L78 WeakPolarHBondContact CE1-CD1 3.3Å; H74-L78 WeakPolarHBondContact O-CG 3.46Å; H74-L78 PolarHBondContact O-N 2.99Å; H74-L78 VanDerWaalsContact O-N 3.09Å; Q75-L78 PolarHBondContact O-N 3.34Å; H76-L78 PolarHBondContact O-N 3.43Å; L78-R80 HydrophobicContact CB-CG 4.1Å; L78-R80 PolarHBondContact O-N 3.42Å |
| 79 | G | 91.2 | Very high | 88.6 | Confident | 68 Ų | 68 | 83 Ų | 83 | 70% | 0.701 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | 13.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q75 H76 K77 | Q75-G79 PolarHBondContact O-N 3.06Å; H76-G79 PolarHBondContact O-N 2.99Å; K77-G79 VanDerWaalsContact C-N 3.29Å |
| 80 | R | 90.8 | Very high | 88.4 | Confident | 194 Ų | 194 | 84.1 Ų | 84.1 | 73% | 0.732 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -90 | -19.2 | -178.3 | -67.7 | 174.2 | 177.7 | -101.4 | 3 | 113.1 | Q75 L78 | Q75-R80 HydrophobicContact CB-CB 4.37Å; Q75-R80 PolarHBondContact O-N 3.14Å; L78-R80 HydrophobicContact CB-CG 4.1Å; L78-R80 PolarHBondContact O-N 3.42Å |
| 81 | A | 88.8 | Confident | 88.2 | Confident | 23 Ų | 23 | 86.7 Ų | 86.7 | 19% | 0.19 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -122.2 | 140.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q75 H76 | Q75-A81 HydrophobicContact CB-CB 3.82Å; Q75-A81 PolarHBondContact O-N 3.03Å; H76-A81 PolarHBondContact CD2-O 3.03Å |
| 82 | S | 89.8 | Confident | 87.3 | Confident | 73 Ų | 73 | 87.4 Ų | 87.4 | 51% | 0.51 | 44% | 0.444 | S | S | . | . | | | trans | -79.1 | 153.7 | 174 | 65.2 | 0 | 0 | 0 | 0 | 110.9 | P84 S85 V86 | S82-P84 VanDerWaalsContact C-CD 3.46Å; S82-P84 VanDerWaalsContact C-N 3.33Å; S82-S85 WeakPolarHBondContact O-CB 3.42Å; S82-S85 PolarHBondContact O-N 3.35Å; S82-V86 PolarHBondContact O-N 3.21Å |
| 83 | W | 89.3 | Confident | 86 | Confident | 139 Ų | 139 | 91.9 Ų | 91.9 | 53% | 0.527 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -52.4 | -42.1 | 177.5 | -176.7 | -112.1 | 0 | 0 | 0 | 114 | H76 S85 V86 Q87 | H76-W83 AromaticContact CE1-CE3 3.79Å; H76-W83 AromaticContact NE2-CE3 3.65Å; W83-S85 VanDerWaalsContact C-N 3.29Å; W83-S85 PolarHBondContact O-N 3.16Å; W83-V86 HydrophobicContact CE3-CB 4.37Å; W83-V86 HydrophobicContact CZ3-CG1 4.34Å; W83-V86 WeakPolarHBondContact O-CB 3.4Å; W83-V86 PolarHBondContact O-N 3.24Å; W83-Q87 HydrophobicContact CZ2-CG 4.42Å; W83-Q87 PolarHBondContact O-N 2.87Å |
| 84 | P | 89.5 | Confident | 85.9 | Confident | 82 Ų | 82 | 92.7 Ų | 92.7 | 53% | 0.532 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.6 | -36.5 | 174.7 | -25.4 | 35.7 | 0 | 0 | 0 | 113.6 | S82 V86 Q87 Q88 | S82-P84 VanDerWaalsContact C-CD 3.46Å; S82-P84 VanDerWaalsContact C-N 3.33Å; P84-V86 VanDerWaalsContact C-N 3.28Å; P84-V86 PolarHBondContact O-N 3.42Å; P84-Q87 PolarHBondContact O-N 3.14Å; P84-Q88 PolarHBondContact O-N 2.58Å |
| 85 | S | 84.2 | Confident | 85.6 | Confident | 40 Ų | 40 | 92 Ų | 92 | 28% | 0.28 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.3 | -28.5 | 176.9 | -178.1 | 0 | 0 | 0 | 0 | 112.6 | S82 W83 G89 | S82-S85 WeakPolarHBondContact O-CB 3.42Å; S82-S85 PolarHBondContact O-N 3.35Å; W83-S85 VanDerWaalsContact C-N 3.29Å; W83-S85 PolarHBondContact O-N 3.16Å; S85-G89 PolarHBondContact O-N 3.47Å |
| 86 | V | 87.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 93.3 Ų | 93.3 | 0% | 0 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -72.7 | -45.8 | 173.9 | -179.9 | 0 | 0 | 0 | 0 | 110 | L73 H76 S82 W83 P84 Q88 G89 L90 | L73-V86 HydrophobicContact CD2-CG1 3.8Å; H76-V86 HydrophobicContact CB-CG2 3.51Å; S82-V86 PolarHBondContact O-N 3.21Å; W83-V86 HydrophobicContact CE3-CB 4.37Å; W83-V86 HydrophobicContact CZ3-CG1 4.34Å; W83-V86 WeakPolarHBondContact O-CB 3.4Å; W83-V86 PolarHBondContact O-N 3.24Å; P84-V86 VanDerWaalsContact C-N 3.28Å; P84-V86 PolarHBondContact O-N 3.42Å; V86-Q88 VanDerWaalsContact C-N 3.34Å; V86-Q88 PolarHBondContact O-N 3.26Å; V86-G89 PolarHBondContact O-N 2.84Å; V86-G89 VanDerWaalsContact O-N 3.12Å; V86-L90 HydrophobicContact CG1-CD1 4.16Å; V86-L90 WeakPolarHBondContact O-CG 3.4Å; V86-L90 PolarHBondContact O-N 3.17Å |
| 87 | Q | 87.9 | Confident | 84.9 | Confident | 91 Ų | 91 | 94.7 Ų | 94.7 | 43% | 0.425 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.9 | -45 | 178.2 | -69.9 | -179.4 | -67.3 | 0 | 0 | 111.8 | W83 P84 G89 L90 Q91 | W83-Q87 HydrophobicContact CZ2-CG 4.42Å; W83-Q87 PolarHBondContact O-N 2.87Å; P84-Q87 PolarHBondContact O-N 3.14Å; Q87-G89 VanDerWaalsContact C-N 3.31Å; Q87-G89 PolarHBondContact O-N 3.25Å; Q87-L90 PolarHBondContact O-N 2.7Å; Q87-Q91 WeakPolarHBondContact O-CG 3.43Å; Q87-Q91 PolarHBondContact O-N 2.86Å; Q87-Q91 VanDerWaalsContact O-N 3.16Å |
| 88 | Q | 85.8 | Confident | 84.4 | Confident | 107 Ų | 107 | 89.1 Ų | 89.1 | 50% | 0.5 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.9 | -38.6 | 175.9 | -172.1 | 178.4 | 0.7 | 0 | 0 | 112.1 | P84 V86 L90 Q91 Q92 | P84-Q88 PolarHBondContact O-N 2.58Å; V86-Q88 VanDerWaalsContact C-N 3.34Å; V86-Q88 PolarHBondContact O-N 3.26Å; Q88-L90 VanDerWaalsContact C-N 3.32Å; Q88-L90 PolarHBondContact O-N 3.13Å; Q88-Q91 PolarHBondContact O-N 2.82Å; Q88-Q92 WeakPolarHBondContact O-CG 3.48Å; Q88-Q92 PolarHBondContact O-N 3.07Å |
| 89 | G | 80.7 | Confident | 83.7 | Confident | 12 Ų | 12 | 88.7 Ų | 88.7 | 12% | 0.124 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -67.1 | -30.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S85 V86 Q87 S93 | S85-G89 PolarHBondContact O-N 3.47Å; V86-G89 PolarHBondContact O-N 2.84Å; V86-G89 VanDerWaalsContact O-N 3.12Å; Q87-G89 VanDerWaalsContact C-N 3.31Å; Q87-G89 PolarHBondContact O-N 3.25Å; G89-S93 WeakPolarHBondContact O-CB 3.44Å |
| 90 | L | 80.9 | Confident | 83.2 | Confident | 79 Ų | 79 | 90.1 Ų | 90.1 | 41% | 0.414 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -74.9 | -30.4 | 175.5 | -71.5 | 169.3 | 0 | 0 | 0 | 112.6 | I69 V86 Q87 Q88 | I69-L90 HydrophobicContact CB-CD2 4.41Å; I69-L90 HydrophobicContact CD1-CD2 4.25Å; I69-L90 HydrophobicContact CG1-CD2 4.17Å; I69-L90 HydrophobicContact CG2-CD2 3.42Å; I69-L90 VanDerWaalsContact CG2-CD2 3.42Å; V86-L90 HydrophobicContact CG1-CD1 4.16Å; V86-L90 WeakPolarHBondContact O-CG 3.4Å; V86-L90 PolarHBondContact O-N 3.17Å; Q87-L90 PolarHBondContact O-N 2.7Å; Q88-L90 VanDerWaalsContact C-N 3.32Å; Q88-L90 PolarHBondContact O-N 3.13Å |
| 91 | Q | 79.9 | Confident | 82.6 | Confident | 165 Ų | 165 | 82.2 Ų | 82.2 | 77% | 0.771 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -78.7 | -20.3 | 177.7 | -70.8 | 179.6 | -36.9 | 0 | 0 | 113.4 | Q87 Q88 | Q87-Q91 WeakPolarHBondContact O-CG 3.43Å; Q87-Q91 PolarHBondContact O-N 2.86Å; Q87-Q91 VanDerWaalsContact O-N 3.16Å; Q88-Q91 PolarHBondContact O-N 2.82Å |
| 92 | Q | 69.3 | Low | 82.1 | Confident | 150 Ų | 150 | 87.1 Ų | 87.1 | 70% | 0.701 | 46% | 0.461 | S | S | * | . | | | trans | -104.7 | 3.3 | -175.5 | -67.8 | -168.5 | -11.8 | 0 | 0 | 114.1 | Q88 | Q88-Q92 WeakPolarHBondContact O-CG 3.48Å; Q88-Q92 PolarHBondContact O-N 3.07Å |
| 93 | S | 60 | Low | 81.4 | Confident | 107 Ų | 107 | 88.4 Ų | 88.4 | 75% | 0.748 | 46% | 0.456 | S | S | * | . | | | trans | -105.5 | 0 | -178 | -176.3 | 0 | 0 | 0 | 0 | 112.9 | I69 G89 | I69-S93 WeakPolarHBondContact CD1-OG 3.37Å; I69-S93 WeakPolarHBondContact CG1-OG 3.27Å; G89-S93 WeakPolarHBondContact O-CB 3.44Å |