| 1 | M | 40.1 | Very low | 52 | Low | 237 Ų | 237 | 143.3 Ų | 143.3 | 100% | 1.167 | 84% | 0.835 | S | S | * | * | | | | 0 | 126.3 | 0 | 51.5 | -163.8 | 83.8 | 0 | 0 | 108.3 | | |
| 2 | K | 42.1 | Very low | 52.7 | Low | 194 Ų | 194 | 140.8 Ų | 140.8 | 84% | 0.843 | 83% | 0.831 | S | S | * | * | | | trans | -81.2 | 119.1 | -159 | -174.4 | 170.3 | 176.1 | 178.1 | 0 | 110.2 | T4 | K2-T4 PolarHBondContact O-N 3.31Š|
| 3 | L | 57.6 | Low | 53.4 | Low | 168 Ų | 168 | 139.2 Ų | 139.2 | 88% | 0.88 | 83% | 0.83 | S | S | * | * | | | trans | -78.1 | 107.8 | 170 | -62.6 | 176.8 | 0 | 0 | 0 | 107.7 | C5 | L3-C5 PolarHBondContact O-N 3.45Š|
| 4 | T | 48.4 | Very low | 54.1 | Low | 106 Ų | 106 | 140.4 Ų | 140.4 | 65% | 0.65 | 83% | 0.829 | S | S | * | * | | | trans | -76.8 | 115.8 | 179.2 | 48.3 | 0 | 0 | 0 | 0 | 109.8 | K2 Q6 | K2-T4 PolarHBondContact O-N 3.31Å; T4-Q6 PolarHBondContact O-N 3.14Å; T4-Q6 VanDerWaalsContact O-N 3.14Å |
| 5 | C | 52.2 | Low | 54.6 | Low | 132 Ų | 132 | 142.9 Ų | 142.9 | 89% | 0.892 | 83% | 0.829 | S | S | * | * | | | trans | -66.9 | 106 | 168.8 | -55.1 | 0 | 0 | 0 | 0 | 109.1 | L3 S7 | L3-C5 PolarHBondContact O-N 3.45Å; C5-S7 PolarHBondContact O-N 3.48Å |
| 6 | Q | 50.8 | Low | 55.2 | Low | 185 Ų | 185 | 141.1 Ų | 141.1 | 86% | 0.864 | 83% | 0.827 | S | S | * | * | | | trans | -84.4 | 103.4 | 162.2 | -76.9 | -173.2 | 79.6 | 0 | 0 | 107.7 | T4 Q8 | T4-Q6 PolarHBondContact O-N 3.14Å; T4-Q6 VanDerWaalsContact O-N 3.14Å; Q6-Q8 PolarHBondContact O-N 3.12Å |
| 7 | S | 57.4 | Low | 55.4 | Low | 115 Ų | 115 | 139.9 Ų | 139.9 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | | | trans | -70.6 | 104.4 | 167.6 | 178 | 0 | 0 | 0 | 0 | 108.1 | C5 G9 | C5-S7 PolarHBondContact O-N 3.48Å; S7-G9 VanDerWaalsContact C-N 3.27Å; S7-G9 PolarHBondContact O-N 3.24Å; S7-G9 VanDerWaalsContact O-N 3.12Å |
| 8 | Q | 61.5 | Low | 55.6 | Low | 192 Ų | 192 | 134.9 Ų | 134.9 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | | | trans | -81.7 | 83.5 | 166.5 | -169.4 | 165.3 | 31.2 | 0 | 0 | 107.9 | Q6 G10 | Q6-Q8 PolarHBondContact O-N 3.12Å; Q8-G10 PolarHBondContact O-N 3.37Å; Q8-G10 VanDerWaalsContact O-N 3.1Å |
| 9 | G | 54.9 | Low | 56 | Low | 69 Ų | 69 | 138.1 Ų | 138.1 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | | | trans | -65.6 | 100.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | S7 S11 | S7-G9 VanDerWaalsContact C-N 3.27Å; S7-G9 PolarHBondContact O-N 3.24Å; S7-G9 VanDerWaalsContact O-N 3.12Å; G9-S11 PolarHBondContact O-N 3.1Å |
| 10 | G | 51.7 | Low | 56.4 | Low | 69 Ų | 69 | 137.7 Ų | 137.7 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | | | trans | -81.6 | 98.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q8 | Q8-G10 PolarHBondContact O-N 3.37Å; Q8-G10 VanDerWaalsContact O-N 3.1Å |
| 11 | S | 54.8 | Low | 56.9 | Low | 109 Ų | 109 | 137.1 Ų | 137.1 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | | | trans | 25 | 97.7 | 157.8 | 59.8 | 0 | 0 | 0 | 0 | 117.6 | G9 C13 | G9-S11 PolarHBondContact O-N 3.1Å; S11-C13 PolarHBondContact O-N 3.38Å |
| 12 | S | 60.6 | Low | 58.5 | Low | 113 Ų | 113 | 132.9 Ų | 132.9 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | | | trans | -60.3 | 118.3 | 144.5 | 175.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 13 | C | 62.2 | Low | 59.7 | Low | 120 Ų | 120 | 130.7 Ų | 130.7 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | | | trans | -139.3 | 70.5 | 159.2 | -144.4 | 0 | 0 | 0 | 0 | 107.2 | S11 E15 | S11-C13 PolarHBondContact O-N 3.38Å; C13-E15 PolarHBondContact O-N 2.83Å |
| 14 | L | 63 | Low | 60.2 | Low | 157 Ų | 157 | 131.9 Ų | 131.9 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | | | trans | -65.2 | 113.3 | 158.8 | -66.6 | 176.9 | 0 | 0 | 0 | 105.8 | S16 | L14-S16 PolarHBondContact O-N 3.31Š|
| 15 | E | 62 | Low | 60.9 | Low | 178 Ų | 178 | 133.1 Ų | 133.1 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | | | trans | -61.7 | 108.2 | 170.4 | -178.4 | 154.4 | 71.2 | 0 | 0 | 107.7 | C13 V17 | C13-E15 PolarHBondContact O-N 2.83Å; E15-V17 PolarHBondContact O-N 2.98Å |
| 16 | S | 63.3 | Low | 61.2 | Low | 114 Ų | 114 | 134.6 Ų | 134.6 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | trans | -69 | 98.3 | 177.3 | -165.1 | 0 | 0 | 0 | 0 | 107.7 | L14 G18 | L14-S16 PolarHBondContact O-N 3.31Å; S16-G18 PolarHBondContact O-N 3.04Å; S16-G18 VanDerWaalsContact O-N 3.11Å |
| 17 | V | 58.7 | Low | 61.5 | Low | 120 Ų | 120 | 130 Ų | 130 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | trans | -66.1 | 109.8 | 167.4 | 178.9 | 0 | 0 | 0 | 0 | 106.5 | E15 | E15-V17 PolarHBondContact O-N 2.98Š|
| 18 | G | 59.7 | Low | 61.2 | Low | 50 Ų | 50 | 130.5 Ų | 130.5 | 52% | 0.515 | 75% | 0.752 | S | S | . | * | | | trans | -54.6 | 138.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112 | S16 D20 | S16-G18 PolarHBondContact O-N 3.04Å; S16-G18 VanDerWaalsContact O-N 3.11Å; G18-D20 PolarHBondContact O-N 3.22Å |
| 19 | E | 62.3 | Low | 60.9 | Low | 196 Ų | 196 | 128.7 Ų | 128.7 | 92% | 0.916 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -72.1 | 0.8 | -174.6 | 52.3 | -172.7 | 93.8 | 0 | 0 | 115.1 | | |
| 20 | D | 64.1 | Low | 60.6 | Low | 130 Ų | 130 | 130.1 Ų | 130.1 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | | | trans | -105.2 | 66.3 | 178.9 | -84.7 | -63.2 | 0 | 0 | 0 | 112.9 | G18 | G18-D20 PolarHBondContact O-N 3.22Š|
| 21 | N | 67.1 | Low | 60.7 | Low | 125 Ų | 125 | 130.5 Ų | 130.5 | 67% | 0.668 | 75% | 0.75 | S | S | * | * | | | trans | -97.2 | 80.5 | 156.6 | -91.2 | -84 | 0 | 0 | 0 | 108.5 | L23 | N21-L23 HydrophobicContact CB-CD2 4.28Å; N21-L23 WeakPolarHBondContact O-CD2 3.39Å; N21-L23 PolarHBondContact O-N 3.27Å; N21-L23 VanDerWaalsContact O-N 3.15Å |
| 22 | E | 73.6 | Confident | 60.7 | Low | 149 Ų | 149 | 128.7 Ų | 128.7 | 70% | 0.696 | 75% | 0.749 | S | S | * | * | | | trans | -65.3 | 110.7 | 173.3 | -62.2 | -171.9 | 117.2 | 0 | 0 | 109.5 | | |
| 23 | L | 67.9 | Low | 60 | Low | 147 Ų | 147 | 132.5 Ų | 132.5 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | | | trans | -92.1 | 111.7 | 178.5 | -47.4 | -173.2 | 0 | 0 | 0 | 109 | N21 V25 | N21-L23 HydrophobicContact CB-CD2 4.28Å; N21-L23 WeakPolarHBondContact O-CD2 3.39Å; N21-L23 PolarHBondContact O-N 3.27Å; N21-L23 VanDerWaalsContact O-N 3.15Å; L23-V25 PolarHBondContact O-N 3.15Å |
| 24 | F | 67.3 | Low | 59.2 | Low | 193 Ų | 193 | 133.5 Ų | 133.5 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | | | trans | -72.9 | 120.2 | 173.4 | -61.1 | -83.4 | 0 | 0 | 0 | 110.3 | | |
| 25 | V | 63.8 | Low | 58.5 | Low | 132 Ų | 132 | 130.3 Ų | 130.3 | 80% | 0.8 | 75% | 0.752 | S | S | * | * | | | trans | -95.3 | 97 | 167.8 | -179.5 | 0 | 0 | 0 | 0 | 107.3 | L23 S27 | L23-V25 PolarHBondContact O-N 3.15Å; V25-S27 PolarHBondContact O-N 3.46Å |
| 26 | E | 58.7 | Low | 58 | Low | 164 Ų | 164 | 130.7 Ų | 130.7 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | | | trans | -64.6 | 104.1 | 170.1 | -168.1 | 171.6 | -162.1 | 0 | 0 | 108.5 | I28 | E26-I28 VanDerWaalsContact C-N 3.28Å; E26-I28 HydrophobicContact CG-CD1 4.45Å; E26-I28 HydrophobicContact CG-CG1 3.82Å; E26-I28 PolarHBondContact O-N 3.29Å |
| 27 | S | 56.2 | Low | 57.6 | Low | 89 Ų | 89 | 134.8 Ų | 134.8 | 62% | 0.622 | 76% | 0.758 | S | S | * | * | | | trans | -77.4 | 82.7 | 172.1 | -166.7 | 0 | 0 | 0 | 0 | 108.1 | V25 I29 | V25-S27 PolarHBondContact O-N 3.46Å; S27-I29 PolarHBondContact O-N 3.26Å; S27-I29 WeakPolarHBondContact OG-CG1 3.48Å |
| 28 | I | 53 | Low | 57.1 | Low | 124 Ų | 124 | 134.5 Ų | 134.5 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | | | trans | -76.7 | 81.4 | 163.6 | -49.8 | -178 | 0 | 0 | 0 | 106.7 | E26 S30 | E26-I28 VanDerWaalsContact C-N 3.28Å; E26-I28 HydrophobicContact CG-CD1 4.45Å; E26-I28 HydrophobicContact CG-CG1 3.82Å; E26-I28 PolarHBondContact O-N 3.29Å; I28-S30 PolarHBondContact O-N 3.16Å |
| 29 | I | 54.2 | Low | 57 | Low | 154 Ų | 154 | 139.8 Ų | 139.8 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | | | trans | -73.9 | 74.1 | 162.4 | -29.6 | 171.6 | 0 | 0 | 0 | 106.4 | S27 | S27-I29 PolarHBondContact O-N 3.26Å; S27-I29 WeakPolarHBondContact OG-CG1 3.48Å |
| 30 | S | 47.9 | Very low | 56.7 | Low | 99 Ų | 99 | 136.6 Ų | 136.6 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | | | trans | -101.1 | 106.9 | 159 | -172.4 | 0 | 0 | 0 | 0 | 106.3 | I28 G32 | I28-S30 PolarHBondContact O-N 3.16Å; S30-G32 PolarHBondContact O-N 2.92Å |
| 31 | G | 54.3 | Low | 56.5 | Low | 78 Ų | 78 | 133.9 Ų | 133.9 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | -50.6 | 132.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 32 | G | 54.7 | Low | 56 | Low | 71 Ų | 71 | 138.4 Ų | 138.4 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | | | trans | 164.5 | 88.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S30 | S30-G32 PolarHBondContact O-N 2.92Š|
| 33 | E | 47.1 | Very low | 55.6 | Low | 193 Ų | 193 | 140.6 Ų | 140.6 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | | | trans | 65.2 | 89.6 | 159.9 | -149.9 | 170.8 | 106.2 | 0 | 0 | 117.6 | A35 | E33-A35 PolarHBondContact O-N 3.17Å; E33-A35 VanDerWaalsContact O-N 3.16Å |
| 34 | V | 44.4 | Very low | 55.7 | Low | 141 Ų | 141 | 143.6 Ų | 143.6 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | | | trans | -78.6 | 94.9 | 169.8 | 175.5 | 0 | 0 | 0 | 0 | 108.9 | E36 | V34-E36 PolarHBondContact O-N 3.46Š|
| 35 | A | 48.3 | Very low | 55.7 | Low | 89 Ų | 89 | 139.8 Ų | 139.8 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | | | trans | -64 | 124.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | E33 | E33-A35 PolarHBondContact O-N 3.17Å; E33-A35 VanDerWaalsContact O-N 3.16Å |
| 36 | E | 50.8 | Low | 55.9 | Low | 187 Ų | 187 | 137 Ų | 137 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | | | trans | -52.5 | 135.7 | -171.1 | -66 | -173.2 | 82.1 | 0 | 0 | 113.9 | V34 | V34-E36 PolarHBondContact O-N 3.46Š|
| 37 | K | 55.4 | Low | 56.2 | Low | 200 Ų | 200 | 136 Ų | 136 | 87% | 0.87 | 76% | 0.762 | S | S | * | * | | | trans | -104 | 110 | 172.2 | -156.9 | 154.6 | -176.4 | 172.1 | 0 | 107.8 | L39 | K37-L39 PolarHBondContact O-N 3.47Š|
| 38 | P | 48.8 | Very low | 56.5 | Low | 113 Ų | 113 | 137.7 Ų | 137.7 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | | | trans | -84.6 | 108.6 | 168.1 | 29.6 | -26.6 | 0 | 0 | 0 | 109.7 | | |
| 39 | L | 56.9 | Low | 56.9 | Low | 162 Ų | 162 | 139.4 Ų | 139.4 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | | | trans | 53.7 | 103.3 | 133.1 | -57.1 | 167.9 | 0 | 0 | 0 | 117.9 | K37 | K37-L39 PolarHBondContact O-N 3.47Š|
| 40 | S | 55.9 | Low | 57.3 | Low | 129 Ų | 129 | 140.1 Ų | 140.1 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -8.1 | 128 | 142.3 | -172.3 | 0 | 0 | 0 | 0 | 116.4 | | |
| 41 | G | 59.8 | Low | 57.6 | Low | 72 Ų | 72 | 144 Ų | 144 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | | | trans | 84.7 | 52.4 | 148.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | R43 | G41-R43 PolarHBondContact O-N 3.47Å; G41-R43 VanDerWaalsContact O-N 3.09Å |
| 42 | R | 57.1 | Low | 57.8 | Low | 220 Ų | 220 | 146 Ų | 146 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | | | trans | -78.3 | 95.2 | 167 | -158.4 | 173 | -174.7 | -89.2 | 2.7 | 110.8 | | |
| 43 | R | 65.1 | Low | 57.7 | Low | 196 Ų | 196 | 147.9 Ų | 147.9 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | | | trans | -55.1 | 129.9 | 173.2 | -137.8 | 169 | 148.1 | -162.5 | 7.8 | 109.9 | G41 H45 | G41-R43 PolarHBondContact O-N 3.47Å; G41-R43 VanDerWaalsContact O-N 3.09Å; R43-H45 WeakPolarHBondContact CB-CE1 3.36Å; R43-H45 WeakPolarHBondContact CB-ND1 3.5Å; R43-H45 WeakPolarHBondContact CD-CE1 3.23Å; R43-H45 WeakPolarHBondContact CG-CE1 3.38Å; R43-H45 WeakPolarHBondContact CG-ND1 3.23Å; R43-H45 PolarHBondContact NE-CE1 2.9Å; R43-H45 PolarHBondContact NE-NE2 3Å; R43-H45 PolarHBondContact O-N 3.02Å; R43-H45 VanDerWaalsContact O-N 3.15Å |
| 44 | K | 69.7 | Low | 57.8 | Low | 209 Ų | 209 | 143.2 Ų | 143.2 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -77.5 | 11.1 | -170.7 | -59.9 | -162.6 | 178.9 | -172.3 | 0 | 115.6 | | |
| 45 | H | 68.2 | Low | 58.2 | Low | 114 Ų | 114 | 145.6 Ų | 145.6 | 53% | 0.528 | 77% | 0.77 | S | S | . | * | | | trans | -115.6 | 63.4 | -178 | 64.2 | -35.8 | 0 | 0 | 0 | 109.1 | R43 | R43-H45 WeakPolarHBondContact CB-CE1 3.36Å; R43-H45 WeakPolarHBondContact CB-ND1 3.5Å; R43-H45 WeakPolarHBondContact CD-CE1 3.23Å; R43-H45 WeakPolarHBondContact CG-CE1 3.38Å; R43-H45 WeakPolarHBondContact CG-ND1 3.23Å; R43-H45 PolarHBondContact NE-CE1 2.9Å; R43-H45 PolarHBondContact NE-NE2 3Å; R43-H45 PolarHBondContact O-N 3.02Å; R43-H45 VanDerWaalsContact O-N 3.15Å |
| 46 | S | 67.1 | Low | 58.4 | Low | 72 Ų | 72 | 147.6 Ų | 147.6 | 50% | 0.503 | 77% | 0.773 | S | S | . | * | | | trans | -67.7 | 130.7 | 158.9 | 42.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 47 | L | 64.7 | Low | 58.6 | Low | 145 Ų | 145 | 150 Ų | 150 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | | | trans | -49.2 | 138.4 | 170.8 | -157.6 | 73.7 | 0 | 0 | 0 | 109.3 | H49 | L47-H49 PolarHBondContact O-N 3.17Å; L47-H49 PolarHBondContact O-ND1 3.11Å |
| 48 | P | 63.2 | Low | 58.6 | Low | 123 Ų | 123 | 148.6 Ų | 148.6 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | | | trans | -58 | 111.7 | 177.9 | 21.2 | -30.4 | 0 | 0 | 0 | 108.9 | Q50 | P48-Q50 PolarHBondContact O-N 3.03Š|
| 49 | H | 62.5 | Low | 58.9 | Low | 161 Ų | 161 | 151.5 Ų | 151.5 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | | | trans | -71.6 | 127.7 | 175.4 | -76 | 54.1 | 0 | 0 | 0 | 107.5 | L47 | L47-H49 PolarHBondContact O-N 3.17Å; L47-H49 PolarHBondContact O-ND1 3.11Å |
| 50 | Q | 61.2 | Low | 58.9 | Low | 168 Ų | 168 | 151.3 Ų | 151.3 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | trans | 79.9 | 75.5 | 154 | -154.4 | -179.2 | -41.6 | 0 | 0 | 116.8 | P48 D52 | P48-Q50 PolarHBondContact O-N 3.03Å; Q50-D52 HydrophobicContact CG-CB 4.03Å |
| 51 | L | 55.1 | Low | 58.9 | Low | 182 Ų | 182 | 153.5 Ų | 153.5 | 95% | 0.953 | 77% | 0.765 | S | S | * | * | | | trans | -93.8 | 59.5 | 142.5 | -87.8 | 171.5 | 0 | 0 | 0 | 108.5 | | |
| 52 | D | 58.2 | Low | 58.9 | Low | 119 Ų | 119 | 156.4 Ų | 156.4 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | | | trans | -100.8 | 123.5 | 170.4 | -149.3 | -22.8 | 0 | 0 | 0 | 108.7 | Q50 | Q50-D52 HydrophobicContact CG-CB 4.03Š|
| 53 | S | 52.6 | Low | 59 | Low | 111 Ų | 111 | 152.5 Ų | 152.5 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 74.7 | 23.3 | 158.3 | -61 | 0 | 0 | 0 | 0 | 121.2 | | |
| 54 | A | 49.2 | Very low | 58.9 | Low | 95 Ų | 95 | 153 Ų | 153 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | | | trans | -125.8 | 7.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 115 | V56 | A54-V56 PolarHBondContact O-N 2.94Š|
| 55 | R | 52 | Low | 58.2 | Low | 190 Ų | 190 | 151.8 Ų | 151.8 | 72% | 0.717 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 42.7 | 177.2 | -158.3 | -169.8 | -147.5 | -121.1 | 7.2 | 112.5 | E76 | R55-E76 IonicContact CZ-OE1 3.26Å; R55-E76 VanDerWaalsContact CZ-OE1 3.26Å; R55-E76 IonicContact NH1-OE1 2.73Å; R55-E76 PolarHBondContact NH1-OE1 3.29Å; R55-E76 IonicContact NH2-OE1 2.84Å; R55-E76 PolarHBondContact NH2-OE1 3.36Å |
| 56 | V | 52.7 | Low | 57.3 | Low | 132 Ų | 132 | 151.9 Ų | 151.9 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.6 | 4.6 | -172.5 | 170.7 | 0 | 0 | 0 | 0 | 114.8 | A54 | A54-V56 PolarHBondContact O-N 2.94Š|
| 57 | R | 55.6 | Low | 56.6 | Low | 236 Ų | 236 | 152.8 Ų | 152.8 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -154.1 | 33.3 | 176.5 | -125.6 | 177.5 | -171.9 | -145.2 | -0.2 | 121.4 | | |
| 58 | Q | 56.2 | Low | 56.4 | Low | 172 Ų | 172 | 157.8 Ų | 157.8 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | -119.2 | 67.9 | 158.2 | -77.1 | -171.6 | -39 | 0 | 0 | 110.2 | H60 | Q58-H60 VanDerWaalsContact C-N 3.33Å; Q58-H60 PolarHBondContact O-N 2.78Å; Q58-H60 VanDerWaalsContact O-N 3.1Å |
| 59 | E | 53.4 | Low | 55.7 | Low | 174 Ų | 174 | 157 Ų | 157 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | | | trans | -62 | 104 | 150.1 | -179 | 170.6 | -140.7 | 0 | 0 | 106.1 | Q61 | E59-Q61 VanDerWaalsContact C-N 3.31Å; E59-Q61 PolarHBondContact O-N 3.15Å |
| 60 | H | 57.2 | Low | 55 | Low | 157 Ų | 157 | 156.8 Ų | 156.8 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | trans | -57.9 | 97.8 | 173.4 | -63.2 | 108.8 | 0 | 0 | 0 | 107.9 | Q58 I62 | Q58-H60 VanDerWaalsContact C-N 3.33Å; Q58-H60 PolarHBondContact O-N 2.78Å; Q58-H60 VanDerWaalsContact O-N 3.1Å; H60-I62 PolarHBondContact O-N 3.42Å |
| 61 | Q | 56.2 | Low | 54.7 | Low | 175 Ų | 175 | 153.4 Ų | 153.4 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -67.4 | 88.4 | 168.1 | -74.7 | -169.9 | 64.5 | 0 | 0 | 107.2 | E59 I63 | E59-Q61 VanDerWaalsContact C-N 3.31Å; E59-Q61 PolarHBondContact O-N 3.15Å; Q61-I63 VanDerWaalsContact C-N 3.34Å; Q61-I63 PolarHBondContact O-N 3.11Å |
| 62 | I | 60.3 | Low | 54.7 | Low | 133 Ų | 133 | 149.4 Ų | 149.4 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | | | trans | -59.8 | 104 | 166.7 | -59.3 | 169.9 | 0 | 0 | 0 | 104.8 | H60 K64 | H60-I62 PolarHBondContact O-N 3.42Å; I62-K64 PolarHBondContact O-N 3.34Å |
| 63 | I | 57.8 | Low | 54.8 | Low | 138 Ų | 138 | 148.3 Ų | 148.3 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | | | trans | -53.3 | 111.2 | 178.5 | -61.4 | 174.1 | 0 | 0 | 0 | 106.5 | Q61 K65 | Q61-I63 VanDerWaalsContact C-N 3.34Å; Q61-I63 PolarHBondContact O-N 3.11Å; I63-K65 VanDerWaalsContact C-N 3.34Å; I63-K65 HydrophobicContact CG2-CD 4.35Å; I63-K65 HydrophobicContact CG2-CG 3.9Å; I63-K65 PolarHBondContact O-N 3.1Å |
| 64 | K | 64 | Low | 55.2 | Low | 208 Ų | 208 | 151.8 Ų | 151.8 | 90% | 0.904 | 77% | 0.77 | S | S | * | * | | | trans | -62.3 | 90.8 | -178.9 | -73.3 | 178 | 172.4 | 173.2 | 0 | 109.3 | I62 | I62-K64 PolarHBondContact O-N 3.34Š|
| 65 | K | 54.6 | Low | 55.5 | Low | 183 Ų | 183 | 148.7 Ų | 148.7 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | | | trans | -109.5 | 93.1 | 169.2 | -50.2 | -169.1 | 84.5 | -169 | 0 | 108.7 | I63 | I63-K65 VanDerWaalsContact C-N 3.34Å; I63-K65 HydrophobicContact CG2-CD 4.35Å; I63-K65 HydrophobicContact CG2-CG 3.9Å; I63-K65 PolarHBondContact O-N 3.1Å |
| 66 | S | 48.7 | Very low | 56.2 | Low | 116 Ų | 116 | 145.7 Ų | 145.7 | 81% | 0.811 | 74% | 0.736 | S | S | * | * | | | trans | 54.8 | 121.8 | 156.9 | -152.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 67 | A | 53.4 | Low | 56.8 | Low | 90 Ų | 90 | 140.2 Ų | 140.2 | 74% | 0.744 | 70% | 0.703 | S | S | * | * | | | trans | 62.6 | 109.4 | 140.7 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 68 | R | 60.5 | Low | 57 | Low | 250 Ų | 250 | 134.1 Ų | 134.1 | 94% | 0.943 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 84.7 | 113.1 | 146.6 | -164.7 | 167.6 | -85.5 | -174.5 | -5.7 | 116.6 | | |
| 69 | S | 48.8 | Very low | 57.4 | Low | 106 Ų | 106 | 134.7 Ų | 134.7 | 74% | 0.741 | 69% | 0.69 | S | S | * | * | | | trans | 76.5 | 83 | 177.4 | -152.3 | 0 | 0 | 0 | 0 | 116.1 | S71 | S69-S71 PolarHBondContact O-N 2.93Š|
| 70 | M | 47.9 | Very low | 57.9 | Low | 157 Ų | 157 | 132.3 Ų | 132.3 | 77% | 0.773 | 68% | 0.678 | S | S | * | * | | | trans | -86.2 | 88.1 | 161.8 | -70.7 | -91.3 | 72.9 | 0 | 0 | 108.7 | T72 | M70-T72 VanDerWaalsContact C-N 3.3Å; M70-T72 HydrophobicContact CB-CG2 4.36Å; M70-T72 PolarHBondContact O-N 3.4Å; M70-T72 HydrophobicContact SD-CG2 4.41Å |
| 71 | S | 55.3 | Low | 58.2 | Low | 97 Ų | 97 | 130.4 Ų | 130.4 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | | | trans | -83.8 | 79.9 | 158.5 | 171.7 | 0 | 0 | 0 | 0 | 107.7 | S69 V73 | S69-S71 PolarHBondContact O-N 2.93Å; S71-V73 VanDerWaalsContact C-N 3.32Å; S71-V73 PolarHBondContact O-N 2.78Å |
| 72 | T | 54.3 | Low | 58.9 | Low | 98 Ų | 98 | 125.3 Ų | 125.3 | 60% | 0.601 | 66% | 0.66 | S | S | * | * | | | trans | -77.9 | 86.1 | 172.7 | 54.5 | 0 | 0 | 0 | 0 | 108.4 | M70 Q74 | M70-T72 VanDerWaalsContact C-N 3.3Å; M70-T72 HydrophobicContact CB-CG2 4.36Å; M70-T72 PolarHBondContact O-N 3.4Å; M70-T72 HydrophobicContact SD-CG2 4.41Å; T72-Q74 VanDerWaalsContact C-N 3.31Å; T72-Q74 PolarHBondContact O-N 2.86Å |
| 73 | V | 60 | Low | 59.7 | Low | 96 Ų | 96 | 127.5 Ų | 127.5 | 58% | 0.582 | 67% | 0.668 | S | S | * | * | | | trans | -66.4 | 105 | 157.1 | -173.3 | 0 | 0 | 0 | 0 | 104.4 | S71 V75 | S71-V73 VanDerWaalsContact C-N 3.32Å; S71-V73 PolarHBondContact O-N 2.78Å; V73-V75 HydrophobicContact CB-CG2 3.94Å; V73-V75 HydrophobicContact CG1-CG2 3.34Å; V73-V75 PolarHBondContact O-N 3.04Å |
| 74 | Q | 60.2 | Low | 60.7 | Low | 184 Ų | 184 | 125 Ų | 125 | 86% | 0.86 | 66% | 0.661 | S | S | * | * | | | trans | -66.7 | 84.9 | 171.2 | -72.2 | -136.2 | 55.7 | 0 | 0 | 107 | T72 E76 | T72-Q74 VanDerWaalsContact C-N 3.31Å; T72-Q74 PolarHBondContact O-N 2.86Å; Q74-E76 PolarHBondContact O-N 3.02Å |
| 75 | V | 55.8 | Low | 61.5 | Low | 30 Ų | 30 | 118.1 Ų | 118.1 | 18% | 0.182 | 64% | 0.638 | C | S | . | * | | | trans | -86.5 | 110.7 | 177.9 | 166.1 | 0 | 0 | 0 | 0 | 106.3 | V73 S77 Q80 L81 | V73-V75 HydrophobicContact CB-CG2 3.94Å; V73-V75 HydrophobicContact CG1-CG2 3.34Å; V73-V75 PolarHBondContact O-N 3.04Å; V75-S77 VanDerWaalsContact CG1-C 3.41Å; V75-S77 WeakPolarHBondContact CG1-O 3.43Å; V75-S77 PolarHBondContact O-N 3.09Å; V75-Q80 HydrophobicContact CB-CB 4.48Å; V75-Q80 HydrophobicContact CG1-CB 3.46Å; V75-Q80 VanDerWaalsContact CG1-CB 3.46Å; V75-Q80 HydrophobicContact CG1-CG 3.79Å; V75-Q80 HydrophobicContact CG2-CB 4.26Å; V75-L81 HydrophobicContact CB-CD1 4.35Å; V75-L81 HydrophobicContact CB-CD2 4.34Å; V75-L81 HydrophobicContact CB-CG 4.01Å; V75-L81 HydrophobicContact CG1-CG 4.12Å; V75-L81 HydrophobicContact CG2-CD1 4.36Å; V75-L81 HydrophobicContact CG2-CD2 3.5Å; V75-L81 HydrophobicContact CG2-CG 3.69Å |
| 76 | E | 68.1 | Low | 62.6 | Low | 127 Ų | 127 | 115.8 Ų | 115.8 | 59% | 0.593 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -46.7 | -27.2 | 174.2 | -175.3 | 80.4 | -152.9 | 0 | 0 | 111.5 | R55 Q74 | R55-E76 IonicContact CZ-OE1 3.26Å; R55-E76 VanDerWaalsContact CZ-OE1 3.26Å; R55-E76 IonicContact NH1-OE1 2.73Å; R55-E76 PolarHBondContact NH1-OE1 3.29Å; R55-E76 IonicContact NH2-OE1 2.84Å; R55-E76 PolarHBondContact NH2-OE1 3.36Å; Q74-E76 PolarHBondContact O-N 3.02Å |
| 77 | S | 64.5 | Low | 64.1 | Low | 17 Ų | 17 | 116.6 Ų | 116.6 | 12% | 0.119 | 63% | 0.627 | C | S | . | * | S | Bend | trans | -157.6 | 137.1 | 178.3 | -62.2 | 0 | 0 | 0 | 0 | 115.6 | V75 W79 Q80 | V75-S77 VanDerWaalsContact CG1-C 3.41Å; V75-S77 WeakPolarHBondContact CG1-O 3.43Å; V75-S77 PolarHBondContact O-N 3.09Å; S77-W79 VanDerWaalsContact CB-CD2 3.48Å; S77-W79 PolarHBondContact O-N 3.34Å; S77-W79 WeakPolarHBondContact OG-CH2 3.32Å; S77-W79 WeakPolarHBondContact OG-CZ2 3.41Å; S77-Q80 PolarHBondContact O-N 3.05Å |
| 78 | P | 60.4 | Low | 65.3 | Low | 109 Ų | 109 | 114.9 Ų | 114.9 | 71% | 0.708 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -51.6 | -25.5 | -168.4 | -26.6 | 32 | 0 | 0 | 0 | 116.9 | Q80 L81 | P78-Q80 PolarHBondContact O-N 2.96Å; P78-L81 PolarHBondContact O-N 3.15Å; P78-L81 VanDerWaalsContact O-N 3.1Å |
| 79 | W | 64.8 | Low | 66 | Low | 184 Ų | 184 | 105 Ų | 105 | 70% | 0.697 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -67.3 | -19.8 | 177 | 60.1 | 79.8 | 0 | 0 | 0 | 113.9 | S77 L81 A82 | S77-W79 VanDerWaalsContact CB-CD2 3.48Å; S77-W79 PolarHBondContact O-N 3.34Å; S77-W79 WeakPolarHBondContact OG-CH2 3.32Å; S77-W79 WeakPolarHBondContact OG-CZ2 3.41Å; W79-L81 PolarHBondContact O-N 2.93Å; W79-A82 WeakPolarHBondContact O-CB 3.45Å; W79-A82 PolarHBondContact O-N 3.41Å; W79-A82 VanDerWaalsContact O-N 3.11Å |
| 80 | Q | 63.2 | Low | 67.5 | Low | 123 Ų | 123 | 105 Ų | 105 | 58% | 0.575 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -76.3 | -11.6 | 173 | -39.1 | -173.8 | -35.8 | 0 | 0 | 112.5 | V75 S77 P78 | V75-Q80 HydrophobicContact CB-CB 4.48Å; V75-Q80 HydrophobicContact CG1-CB 3.46Å; V75-Q80 VanDerWaalsContact CG1-CB 3.46Å; V75-Q80 HydrophobicContact CG1-CG 3.79Å; V75-Q80 HydrophobicContact CG2-CB 4.26Å; S77-Q80 PolarHBondContact O-N 3.05Å; P78-Q80 PolarHBondContact O-N 2.96Å |
| 81 | L | 64.3 | Low | 68.8 | Low | 118 Ų | 118 | 102.1 Ų | 102.1 | 62% | 0.618 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -94.5 | 3.6 | 167.7 | -62.2 | 176 | 0 | 0 | 0 | 112 | V75 P78 W79 | V75-L81 HydrophobicContact CB-CD1 4.35Å; V75-L81 HydrophobicContact CB-CD2 4.34Å; V75-L81 HydrophobicContact CB-CG 4.01Å; V75-L81 HydrophobicContact CG1-CG 4.12Å; V75-L81 HydrophobicContact CG2-CD1 4.36Å; V75-L81 HydrophobicContact CG2-CD2 3.5Å; V75-L81 HydrophobicContact CG2-CG 3.69Å; P78-L81 PolarHBondContact O-N 3.15Å; P78-L81 VanDerWaalsContact O-N 3.1Å; W79-L81 PolarHBondContact O-N 2.93Å |
| 82 | A | 70.6 | Confident | 69.5 | Low | 67 Ų | 67 | 104 Ų | 104 | 55% | 0.554 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -65.9 | 144.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | W79 | W79-A82 WeakPolarHBondContact O-CB 3.45Å; W79-A82 PolarHBondContact O-N 3.41Å; W79-A82 VanDerWaalsContact O-N 3.11Å |
| 83 | Q | 76.3 | Confident | 70 | Confident | 180 Ų | 180 | 106.9 Ų | 106.9 | 84% | 0.841 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 146 | 173 | -64.5 | -142.7 | -54.1 | 0 | 0 | 110.2 | | |
| 84 | P | 78.5 | Confident | 70.6 | Confident | 86 Ų | 86 | 110.8 Ų | 110.8 | 56% | 0.558 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 148.8 | 175.3 | 24.7 | -33.7 | 0 | 0 | 0 | 110.1 | | |
| 85 | S | 81.6 | Confident | 70.9 | Confident | 62 Ų | 62 | 105.1 Ų | 105.1 | 43% | 0.434 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -55.5 | 152.4 | -179.5 | 81.2 | 0 | 0 | 0 | 0 | 111.4 | I87 S88 S89 | S85-I87 PolarHBondContact O-N 3.03Å; S85-I87 VanDerWaalsContact O-N 3.16Å; S85-S88 CarbonylContact O-C 3.58Å; S85-S88 WeakPolarHBondContact O-CA 3.02Å; S85-S88 WeakPolarHBondContact O-CB 2.81Å; S85-S88 PolarHBondContact O-N 2.88Å; S85-S88 WeakPolarHBondContact OG-CB 3.11Å; S85-S88 PolarHBondContact OG-N 2.9Å; S85-S88 PolarHBondContact OG-OG 2.8Å; S85-S89 PolarHBondContact O-N 3.49Å |
| 86 | I | 77.8 | Confident | 71.4 | Confident | 135 Ų | 135 | 112.9 Ų | 112.9 | 69% | 0.692 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -54.6 | -35.9 | 176.5 | -62.7 | 171 | 0 | 0 | 0 | 110.9 | S89 I90 | I86-S89 PolarHBondContact O-N 2.93Å; I86-S89 PolarHBondContact O-OG 2.9Å; I86-I90 HydrophobicContact CG2-CD1 3.96Å; I86-I90 WeakPolarHBondContact O-CD1 3.34Å; I86-I90 VanDerWaalsContact O-CG1 3.23Å; I86-I90 WeakPolarHBondContact O-CG1 3.15Å; I86-I90 PolarHBondContact O-N 2.82Å |
| 87 | I | 80.3 | Confident | 71.3 | Confident | 132 Ų | 132 | 110.6 Ų | 110.6 | 68% | 0.677 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.1 | -42.8 | 177.2 | -58.9 | 172.9 | 0 | 0 | 0 | 110.4 | S85 V91 | S85-I87 PolarHBondContact O-N 3.03Å; S85-I87 VanDerWaalsContact O-N 3.16Å; I87-V91 WeakPolarHBondContact O-CG2 3.4Å; I87-V91 PolarHBondContact O-N 2.96Å |
| 88 | S | 77.8 | Confident | 70.8 | Confident | 55 Ų | 55 | 123.2 Ų | 123.2 | 39% | 0.385 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -62.3 | -42.1 | 175.8 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | S85 V91 L92 | S85-S88 CarbonylContact O-C 3.58Å; S85-S88 WeakPolarHBondContact O-CA 3.02Å; S85-S88 WeakPolarHBondContact O-CB 2.81Å; S85-S88 PolarHBondContact O-N 2.88Å; S85-S88 WeakPolarHBondContact OG-CB 3.11Å; S85-S88 PolarHBondContact OG-N 2.9Å; S85-S88 PolarHBondContact OG-OG 2.8Å; S88-V91 PolarHBondContact O-N 2.81Å; S88-L92 VanDerWaalsContact O-CG 3.23Å; S88-L92 WeakPolarHBondContact O-CG 3.08Å; S88-L92 PolarHBondContact O-N 3.01Å; S88-L92 VanDerWaalsContact O-N 3.15Å |
| 89 | S | 75.4 | Confident | 71.4 | Confident | 42 Ų | 42 | 124 Ų | 124 | 29% | 0.294 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -67.2 | -40 | -179.1 | 65.9 | 0 | 0 | 0 | 0 | 112.7 | S85 I86 V91 L92 M93 | S85-S89 PolarHBondContact O-N 3.49Å; I86-S89 PolarHBondContact O-N 2.93Å; I86-S89 PolarHBondContact O-OG 2.9Å; S89-V91 PolarHBondContact O-N 3.33Å; S89-L92 PolarHBondContact O-N 3.41Å; S89-M93 WeakPolarHBondContact O-CG 3.22Å; S89-M93 PolarHBondContact O-N 2.73Å |
| 90 | I | 79.9 | Confident | 71.7 | Confident | 105 Ų | 105 | 120.8 Ų | 120.8 | 54% | 0.538 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -61.9 | -44.5 | 177.5 | -66.5 | 163 | 0 | 0 | 0 | 111 | I86 L92 M93 K94 | I86-I90 HydrophobicContact CG2-CD1 3.96Å; I86-I90 WeakPolarHBondContact O-CD1 3.34Å; I86-I90 VanDerWaalsContact O-CG1 3.23Å; I86-I90 WeakPolarHBondContact O-CG1 3.15Å; I86-I90 PolarHBondContact O-N 2.82Å; I90-L92 VanDerWaalsContact C-N 3.32Å; I90-L92 PolarHBondContact O-N 3.16Å; I90-M93 PolarHBondContact O-N 2.84Å; I90-K94 WeakPolarHBondContact O-CB 3.02Å; I90-K94 PolarHBondContact O-N 3.1Å |
| 91 | V | 76.3 | Confident | 72.2 | Confident | 97 Ų | 97 | 120.7 Ų | 120.7 | 59% | 0.588 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -64.4 | -38 | 178.4 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | I87 S88 S89 K94 | I87-V91 WeakPolarHBondContact O-CG2 3.4Å; I87-V91 PolarHBondContact O-N 2.96Å; S88-V91 PolarHBondContact O-N 2.81Å; S89-V91 PolarHBondContact O-N 3.33Å; V91-K94 WeakPolarHBondContact O-CB 3.16Å; V91-K94 PolarHBondContact O-N 2.93Å |
| 92 | L | 70.4 | Confident | 72.7 | Confident | 138 Ų | 138 | 120.8 Ų | 120.8 | 72% | 0.723 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -67.5 | -34.7 | 177.3 | -69.2 | 170.8 | 0 | 0 | 0 | 112.7 | S88 S89 I90 | S88-L92 VanDerWaalsContact O-CG 3.23Å; S88-L92 WeakPolarHBondContact O-CG 3.08Å; S88-L92 PolarHBondContact O-N 3.01Å; S88-L92 VanDerWaalsContact O-N 3.15Å; S89-L92 PolarHBondContact O-N 3.41Å; I90-L92 VanDerWaalsContact C-N 3.32Å; I90-L92 PolarHBondContact O-N 3.16Å |
| 93 | M | 64.5 | Low | 72.8 | Confident | 157 Ų | 157 | 124.2 Ų | 124.2 | 77% | 0.773 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -78.7 | -20 | 175.3 | -65.7 | 177.4 | 72.7 | 0 | 0 | 112.7 | S89 I90 G95 | S89-M93 WeakPolarHBondContact O-CG 3.22Å; S89-M93 PolarHBondContact O-N 2.73Å; I90-M93 PolarHBondContact O-N 2.84Å; M93-G95 PolarHBondContact O-N 3.42Å |
| 94 | K | 71.9 | Confident | 72.6 | Confident | 178 Ų | 178 | 120.5 Ų | 120.5 | 77% | 0.774 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 60.6 | 176.5 | -167.3 | -165.6 | 172.2 | -175.1 | 0 | 111.1 | I90 V91 | I90-K94 WeakPolarHBondContact O-CB 3.02Å; I90-K94 PolarHBondContact O-N 3.1Å; V91-K94 WeakPolarHBondContact O-CB 3.16Å; V91-K94 PolarHBondContact O-N 2.93Å |
| 95 | G | 67.1 | Low | 72.1 | Confident | 65 Ų | 65 | 122.9 Ų | 122.9 | 67% | 0.67 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -160.1 | 10.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | M93 | M93-G95 PolarHBondContact O-N 3.42Š|
| 96 | Q | 64.7 | Low | 71.4 | Confident | 194 Ų | 194 | 127.6 Ų | 127.6 | 91% | 0.907 | 70% | 0.697 | S | S | * | * | | | trans | -141.7 | 45.3 | 177.4 | -73.7 | -167.5 | -31.6 | 0 | 0 | 113.4 | | |
| 97 | G | 67.6 | Low | 70.9 | Confident | 79 Ų | 79 | 127 Ų | 127 | 81% | 0.814 | 70% | 0.697 | S | S | * | * | | | trans | -99.9 | 110.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 98 | K | 54.5 | Low | 70 | Confident | 282 Ų | 282 | 126.5 Ų | 126.5 | 100% | 1.226 | 70% | 0.699 | S | S | * | * | | | trans | -79.9 | 0 | 160.3 | -64.2 | -177.1 | 178.9 | -175.8 | 0 | 108.8 | | |