| 1 | M | 38.3 | Very low | 52.6 | Low | 236 Ų | 236 | 144 Ų | 144 | 100% | 1.163 | 77% | 0.773 | S | S | * | * | | | | 0 | 138.8 | 0 | -68.9 | -56.2 | -171.3 | 0 | 0 | 108.2 | | |
| 2 | P | 43.7 | Very low | 53.8 | Low | 114 Ų | 114 | 144.8 Ų | 144.8 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | | | trans | -106.9 | 168.1 | -134.5 | 32.6 | -21.3 | 0 | 0 | 0 | 115 | | |
| 3 | H | 39.2 | Very low | 55.4 | Low | 193 Ų | 193 | 139.9 Ų | 139.9 | 89% | 0.894 | 77% | 0.77 | S | S | * | * | | | trans | -43.2 | 147.4 | 173.4 | -49.1 | -80.8 | 0 | 0 | 0 | 114.7 | | |
| 4 | G | 44.8 | Very low | 57.2 | Low | 62 Ų | 62 | 133.7 Ų | 133.7 | 64% | 0.639 | 75% | 0.754 | S | S | * | * | | | trans | -162.4 | 93.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 5 | D | 47.7 | Very low | 58.5 | Low | 143 Ų | 143 | 133.9 Ų | 133.9 | 77% | 0.765 | 75% | 0.746 | S | S | * | * | | | trans | 66.7 | 76.8 | 147.8 | -46.1 | -37.2 | 0 | 0 | 0 | 117.7 | E7 | D5-E7 HydrophobicContact CB-CG 4.21Å; D5-E7 PolarHBondContact O-N 2.87Å |
| 6 | S | 47.7 | Very low | 59.4 | Low | 118 Ų | 118 | 131.4 Ų | 131.4 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | | | trans | -65.9 | 73.6 | 146.2 | 39.5 | 0 | 0 | 0 | 0 | 109.5 | K8 | S6-K8 PolarHBondContact O-N 3.09Š|
| 7 | E | 61.5 | Low | 60.3 | Low | 156 Ų | 156 | 126.9 Ų | 126.9 | 73% | 0.729 | 72% | 0.715 | S | S | * | * | | | trans | -57.1 | 110.6 | 164.2 | -66.3 | -167.8 | 168.4 | 0 | 0 | 107.3 | D5 T9 | D5-E7 HydrophobicContact CB-CG 4.21Å; D5-E7 PolarHBondContact O-N 2.87Å; E7-T9 PolarHBondContact O-N 3Å |
| 8 | K | 60.6 | Low | 60.8 | Low | 207 Ų | 207 | 125.6 Ų | 125.6 | 90% | 0.9 | 72% | 0.723 | S | S | * | * | | | trans | -64.3 | 85.1 | 173.9 | -60.7 | 176.6 | -174.1 | -179.5 | 0 | 107.1 | S6 E10 | S6-K8 PolarHBondContact O-N 3.09Å; K8-E10 PolarHBondContact O-N 3.17Å |
| 9 | T | 61.3 | Low | 61.2 | Low | 90 Ų | 90 | 125.5 Ų | 125.5 | 55% | 0.552 | 72% | 0.724 | S | S | * | * | | | trans | -62.3 | 111.9 | 175.2 | 46.9 | 0 | 0 | 0 | 0 | 107.5 | E7 L11 | E7-T9 PolarHBondContact O-N 3Å; T9-L11 PolarHBondContact O-N 3.47Å |
| 10 | E | 67 | Low | 61.3 | Low | 159 Ų | 159 | 128.4 Ų | 128.4 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | | | trans | -65.2 | 104.3 | -177.7 | -156.9 | 175.5 | -141 | 0 | 0 | 108.7 | K8 K12 P17 | K8-E10 PolarHBondContact O-N 3.17Å; E10-K12 PolarHBondContact O-N 2.73Å; E10-P17 WeakPolarHBondContact O-CD 3.47Å |
| 11 | L | 66.8 | Low | 61.3 | Low | 106 Ų | 106 | 125.5 Ų | 125.5 | 56% | 0.555 | 71% | 0.713 | S | S | * | * | | | trans | -74.7 | 118.3 | -178.4 | -63.2 | 173.3 | 0 | 0 | 0 | 109.2 | T9 G13 | T9-L11 PolarHBondContact O-N 3.47Å; L11-G13 PolarHBondContact O-N 2.95Å |
| 12 | K | 67.4 | Low | 61.8 | Low | 154 Ų | 154 | 118 Ų | 118 | 67% | 0.67 | 70% | 0.696 | S | S | * | * | B | Isolated β-bridge | trans | -87.9 | 100.8 | 171.7 | -74.7 | 179.6 | 174.1 | 177.7 | 0 | 108.5 | E10 G14 H15 | E10-K12 PolarHBondContact O-N 2.73Å; K12-G14 VanDerWaalsContact C-N 3.32Å; K12-G14 PolarHBondContact O-N 2.87Å; K12-H15 PolarHBondContact N-O 2.61Å; K12-H15 PolarHBondContact O-N 2.67Å |
| 13 | G | 73.9 | Confident | 62.5 | Low | 81 Ų | 81 | 115.9 Ų | 115.9 | 84% | 0.835 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.4 | 31.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L11 | L11-G13 PolarHBondContact O-N 2.95Š|
| 14 | G | 80.7 | Confident | 63.5 | Low | 53 Ų | 53 | 109.7 Ų | 109.7 | 55% | 0.546 | 68% | 0.683 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 86.6 | 6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | K12 | K12-G14 VanDerWaalsContact C-N 3.32Å; K12-G14 PolarHBondContact O-N 2.87Å |
| 15 | H | 77.8 | Confident | 64.4 | Low | 137 Ų | 137 | 111.5 Ų | 111.5 | 63% | 0.634 | 68% | 0.682 | S | S | * | * | B | Isolated β-bridge | trans | -120.8 | 144.1 | 174.4 | -61.6 | -43 | 0 | 0 | 0 | 111.5 | K12 | K12-H15 PolarHBondContact N-O 2.61Å; K12-H15 PolarHBondContact O-N 2.67Å |
| 16 | P | 71.9 | Confident | 65.3 | Low | 93 Ų | 93 | 116 Ų | 116 | 60% | 0.604 | 69% | 0.688 | S | S | * | * | | | trans | -62.5 | 148.4 | 174.5 | 27.3 | -33.9 | 0 | 0 | 0 | 110.3 | | |
| 17 | P | 75.1 | Confident | 66.3 | Low | 55 Ų | 55 | 116.3 Ų | 116.3 | 36% | 0.357 | 68% | 0.679 | S | S | . | * | | | trans | -62 | 144 | 179.9 | 25.8 | -32.6 | 0 | 0 | 0 | 110.6 | E10 V19 | E10-P17 WeakPolarHBondContact O-CD 3.47Å; P17-V19 PolarHBondContact O-N 2.94Å |
| 18 | A | 68.9 | Low | 66.8 | Low | 104 Ų | 104 | 120.2 Ų | 120.2 | 86% | 0.86 | 69% | 0.687 | S | S | * | * | | | trans | -61.9 | 109.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | K20 | A18-K20 PolarHBondContact O-N 2.67Š|
| 19 | V | 69 | Low | 67.1 | Low | 124 Ų | 124 | 119.2 Ų | 119.2 | 75% | 0.752 | 69% | 0.686 | S | S | * | * | | | trans | -72.4 | 118.5 | 176 | 178.7 | 0 | 0 | 0 | 0 | 108.2 | P17 V21 | P17-V19 PolarHBondContact O-N 2.94Å; V19-V21 VanDerWaalsContact C-N 3.32Å; V19-V21 PolarHBondContact O-N 3.01Å |
| 20 | K | 62.8 | Low | 67 | Low | 183 Ų | 183 | 122.3 Ų | 122.3 | 80% | 0.796 | 69% | 0.693 | S | S | * | * | | | trans | -75.4 | 86.9 | 172.4 | -169.9 | 176.8 | -175.3 | 179.2 | 0 | 108.4 | A18 | A18-K20 PolarHBondContact O-N 2.67Š|
| 21 | V | 62.3 | Low | 66.3 | Low | 67 Ų | 67 | 125.6 Ų | 125.6 | 41% | 0.406 | 70% | 0.699 | S | S | . | * | | | trans | -59.9 | 134.9 | 159.7 | -104.1 | 0 | 0 | 0 | 0 | 107.8 | V19 G23 I27 | V19-V21 VanDerWaalsContact C-N 3.32Å; V19-V21 PolarHBondContact O-N 3.01Å; V21-G23 PolarHBondContact O-N 2.83Å; V21-I27 HydrophobicContact CG2-CD1 3.71Å; V21-I27 HydrophobicContact CG2-CG1 3.92Å |
| 22 | G | 47.7 | Very low | 65.8 | Low | 79 Ų | 79 | 124.8 Ų | 124.8 | 81% | 0.814 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.4 | 139 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 23 | G | 58.8 | Low | 65.2 | Low | 70 Ų | 70 | 122.5 Ų | 122.5 | 72% | 0.722 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 105.9 | 2.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | V21 V25 | V21-G23 PolarHBondContact O-N 2.83Å; G23-V25 PolarHBondContact O-N 2.74Å |
| 24 | G | 59.7 | Low | 64 | Low | 63 Ų | 63 | 126.3 Ų | 126.3 | 65% | 0.649 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 72.9 | 9.8 | 174 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 25 | V | 63.5 | Low | 62.3 | Low | 99 Ų | 99 | 129.4 Ų | 129.4 | 60% | 0.6 | 70% | 0.704 | S | S | * | * | | | trans | -87.1 | 125.5 | 179.7 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | G23 I27 | G23-V25 PolarHBondContact O-N 2.74Å; V25-I27 PolarHBondContact O-N 2.77Å |
| 26 | R | 68 | Low | 60.9 | Low | 238 Ų | 238 | 127.3 Ų | 127.3 | 90% | 0.898 | 71% | 0.705 | S | S | * | * | | | trans | -78.3 | 112.5 | 167.3 | -66.2 | 175.8 | 178.8 | 165.4 | -1 | 108.2 | R28 | R26-R28 PolarHBondContact O-N 3.44Š|
| 27 | I | 67.2 | Low | 59.4 | Low | 125 Ų | 125 | 131.7 Ų | 131.7 | 64% | 0.641 | 72% | 0.717 | S | S | * | * | | | trans | -79.8 | 111.5 | 169.3 | -57.6 | -177 | 0 | 0 | 0 | 107.7 | V21 V25 Q29 | V21-I27 HydrophobicContact CG2-CD1 3.71Å; V21-I27 HydrophobicContact CG2-CG1 3.92Å; V25-I27 PolarHBondContact O-N 2.77Å; I27-Q29 PolarHBondContact O-N 3.48Å |
| 28 | R | 72 | Confident | 57.9 | Low | 238 Ų | 238 | 133.6 Ų | 133.6 | 90% | 0.898 | 73% | 0.732 | S | S | * | * | | | trans | -75.7 | 104.8 | 165.5 | -64.1 | -167.2 | -162.9 | -130.5 | 7.6 | 107.2 | R26 | R26-R28 PolarHBondContact O-N 3.44Š|
| 29 | Q | 68.6 | Low | 57 | Low | 185 Ų | 185 | 136 Ų | 136 | 86% | 0.864 | 73% | 0.725 | S | S | * | * | | | trans | -72.5 | 131.7 | 171.2 | -150 | 173 | -2.7 | 0 | 0 | 108.8 | I27 | I27-Q29 PolarHBondContact O-N 3.48Š|
| 30 | H | 57.4 | Low | 55.9 | Low | 155 Ų | 155 | 135.3 Ų | 135.3 | 72% | 0.718 | 72% | 0.723 | S | S | * | * | | | trans | -48.6 | 158.5 | -172.8 | -78.8 | -110.5 | 0 | 0 | 0 | 114 | | |
| 31 | R | 52.2 | Low | 54.9 | Low | 229 Ų | 229 | 131 Ų | 131 | 86% | 0.864 | 72% | 0.716 | S | S | * | * | | | | -140.4 | 114.2 | 110.4 | -96 | 149.5 | -163.1 | -171.4 | 3.8 | 105.7 | | |
| 32 | T | 56.5 | Low | 54.2 | Low | 89 Ų | 89 | 136.5 Ų | 136.5 | 55% | 0.546 | 74% | 0.737 | S | S | . | * | | | trans | -46.9 | 127.7 | 147.8 | 42.1 | 0 | 0 | 0 | 0 | 104.5 | H34 | T32-H34 VanDerWaalsContact C-N 3.32Å; T32-H34 PolarHBondContact O-N 2.72Å |
| 33 | P | 55.8 | Low | 53.9 | Low | 105 Ų | 105 | 138.8 Ų | 138.8 | 68% | 0.682 | 73% | 0.731 | S | S | * | * | | | trans | -53.7 | 117 | 163.3 | 24.8 | -29 | 0 | 0 | 0 | 103 | T35 | P33-T35 PolarHBondContact O-N 2.75Š|
| 34 | H | 48.8 | Very low | 53.1 | Low | 162 Ų | 162 | 140.4 Ų | 140.4 | 75% | 0.75 | 73% | 0.731 | S | S | * | * | | | trans | -54.3 | 103.9 | 156.2 | -70.8 | -81.8 | 0 | 0 | 0 | 101.7 | T32 S36 | T32-H34 VanDerWaalsContact C-N 3.32Å; T32-H34 PolarHBondContact O-N 2.72Å; H34-S36 PolarHBondContact O-N 2.69Å |
| 35 | T | 44.6 | Very low | 52.2 | Low | 118 Ų | 118 | 140.8 Ų | 140.8 | 72% | 0.724 | 72% | 0.724 | S | S | * | * | | | trans | -61 | 81.2 | 160.1 | 45.8 | 0 | 0 | 0 | 0 | 102.5 | P33 E37 | P33-T35 PolarHBondContact O-N 2.75Å; T35-E37 PolarHBondContact O-N 2.85Å |
| 36 | S | 47.6 | Very low | 51.2 | Low | 93 Ų | 93 | 144.4 Ų | 144.4 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | | | trans | -57.4 | 104 | 152.7 | 50.2 | 0 | 0 | 0 | 0 | 102.4 | H34 S38 | H34-S36 PolarHBondContact O-N 2.69Å; S36-S38 PolarHBondContact O-N 2.93Å |
| 37 | E | 40.9 | Very low | 50.2 | Low | 185 Ų | 185 | 138.9 Ų | 138.9 | 86% | 0.864 | 73% | 0.726 | S | S | * | * | | | trans | -49.3 | 81.1 | 156 | -64.2 | 170.8 | 161.8 | 0 | 0 | 106.4 | T35 | T35-E37 PolarHBondContact O-N 2.85Š|
| 38 | S | 43.8 | Very low | 49.1 | Very low | 95 Ų | 95 | 143.7 Ų | 143.7 | 66% | 0.664 | 74% | 0.737 | S | S | * | * | | | trans | -102.8 | 81.7 | 152.2 | 65.4 | 0 | 0 | 0 | 0 | 103.3 | S36 | S36-S38 PolarHBondContact O-N 2.93Š|
| 39 | E | 49 | Very low | 47.9 | Very low | 154 Ų | 154 | 141.7 Ų | 141.7 | 72% | 0.72 | 74% | 0.737 | S | S | * | * | | | trans | -35.8 | 136 | 142.9 | -71.1 | -68.9 | 118.9 | 0 | 0 | 106.9 | S41 | E39-S41 PolarHBondContact O-N 2.7Š|
| 40 | P | 46.3 | Very low | 46.8 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 71% | 0.714 | 72% | 0.724 | S | S | * | * | | | trans | -63.4 | 90.2 | 159.4 | 29.6 | -28.6 | 0 | 0 | 0 | 104 | Q42 | P40-Q42 PolarHBondContact O-N 2.73Š|
| 41 | S | 42.7 | Very low | 46.4 | Very low | 93 Ų | 93 | 135.6 Ų | 135.6 | 65% | 0.65 | 72% | 0.717 | S | S | * | * | | | trans | -52.5 | 101 | 149.6 | 50.8 | 0 | 0 | 0 | 0 | 102.2 | E39 D43 | E39-S41 PolarHBondContact O-N 2.7Å; S41-D43 PolarHBondContact O-N 2.67Å |
| 42 | Q | 46.4 | Very low | 46.4 | Very low | 181 Ų | 181 | 132 Ų | 132 | 85% | 0.846 | 72% | 0.715 | S | S | * | * | | | trans | -57.5 | 71.2 | 148.6 | -69.2 | -176.3 | -52.4 | 0 | 0 | 104.9 | P40 S44 | P40-Q42 PolarHBondContact O-N 2.73Å; Q42-S44 PolarHBondContact O-N 2.85Å |
| 43 | D | 41.2 | Very low | 46.4 | Very low | 128 Ų | 128 | 136.1 Ų | 136.1 | 68% | 0.684 | 73% | 0.726 | S | S | * | * | | | trans | -64.7 | 82.1 | 142.8 | -110.8 | -10.4 | 0 | 0 | 0 | 102.2 | S41 S45 | S41-D43 PolarHBondContact O-N 2.67Å; D43-S45 PolarHBondContact O-N 2.68Å |
| 44 | S | 42.2 | Very low | 46.1 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 72% | 0.72 | 72% | 0.72 | S | S | * | * | | | | -52.3 | 67.4 | 125.7 | 53.2 | 0 | 0 | 0 | 0 | 107.5 | Q42 E46 | Q42-S44 PolarHBondContact O-N 2.85Å; S44-E46 PolarHBondContact O-N 2.79Å |
| 45 | S | 42.6 | Very low | 46.4 | Very low | 71 Ų | 71 | 134.6 Ų | 134.6 | 50% | 0.497 | 73% | 0.725 | S | S | . | * | | | trans | -60.8 | 88.3 | 138.4 | 68 | 0 | 0 | 0 | 0 | 102 | D43 V47 | D43-S45 PolarHBondContact O-N 2.68Å; S45-V47 WeakPolarHBondContact O-CG2 3.3Å; S45-V47 PolarHBondContact O-N 3.43Å |
| 46 | E | 41.3 | Very low | 47.2 | Very low | 176 Ų | 176 | 141 Ų | 141 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | | | | -36.7 | 86.4 | 130 | -166.6 | 156 | -157.7 | 0 | 0 | 104.4 | S44 R48 | S44-E46 PolarHBondContact O-N 2.79Å; E46-R48 PolarHBondContact O-N 3.13Å |
| 47 | V | 47 | Very low | 48.1 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | | | trans | -60.3 | 98.9 | 179.1 | 171 | 0 | 0 | 0 | 0 | 99.9 | S45 E49 | S45-V47 WeakPolarHBondContact O-CG2 3.3Å; S45-V47 PolarHBondContact O-N 3.43Å; V47-E49 PolarHBondContact O-N 3.07Å |
| 48 | R | 44.1 | Very low | 49.5 | Very low | 227 Ų | 227 | 136.8 Ų | 136.8 | 86% | 0.857 | 72% | 0.722 | S | S | * | * | | | trans | -39.2 | 124.7 | -172 | -87.1 | 179.7 | 161.7 | 174.3 | -4.2 | 105 | E46 G50 | E46-R48 PolarHBondContact O-N 3.13Å; R48-G50 PolarHBondContact O-N 2.98Å |
| 49 | E | 47.7 | Very low | 51.1 | Low | 196 Ų | 196 | 135.3 Ų | 135.3 | 92% | 0.916 | 71% | 0.709 | S | S | * | * | | | trans | -56.1 | 62.5 | 154.6 | -68.4 | -176.6 | 141.3 | 0 | 0 | 107.7 | V47 R51 | V47-E49 PolarHBondContact O-N 3.07Å; E49-R51 PolarHBondContact O-N 2.99Å |
| 50 | G | 44.8 | Very low | 52.5 | Low | 56 Ų | 56 | 133.3 Ų | 133.3 | 58% | 0.577 | 70% | 0.701 | S | S | * | * | | | trans | -79.9 | 55.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 106.2 | R48 N52 | R48-G50 PolarHBondContact O-N 2.98Å; G50-N52 PolarHBondContact O-N 2.98Å |
| 51 | R | 49.8 | Very low | 54.1 | Low | 155 Ų | 155 | 131.9 Ų | 131.9 | 59% | 0.585 | 69% | 0.69 | S | S | * | * | | | trans | -55.2 | 101.9 | 153.7 | -168.7 | 173.1 | -174 | 161.6 | 8.6 | 103.2 | E49 K53 E69 | E49-R51 PolarHBondContact O-N 2.99Å; R51-K53 HydrophobicContact CB-CG 4.12Å; R51-K53 HydrophobicContact CG-CG 3.64Å; R51-K53 PolarHBondContact O-N 3.25Å; R51-E69 IonicContact NE-OE1 3.96Å; R51-E69 IonicContact NH2-OE1 3.48Å; R51-E69 PolarHBondContact NH2-OE1 3.48Å; R51-E69 IonicContact NH2-OE2 3.83Å |
| 52 | N | 51.9 | Low | 56 | Low | 153 Ų | 153 | 135.4 Ų | 135.4 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | | | trans | -59 | 83.9 | 158.3 | -71.8 | -58.9 | 0 | 0 | 0 | 104.9 | G50 G54 | G50-N52 PolarHBondContact O-N 2.98Å; N52-G54 PolarHBondContact O-N 3.46Å; N52-G54 VanDerWaalsContact O-N 3.09Å |
| 53 | K | 55.7 | Low | 57.8 | Low | 176 Ų | 176 | 129.6 Ų | 129.6 | 77% | 0.765 | 69% | 0.691 | S | S | * | * | | | trans | -71.6 | 18.1 | 164.9 | -71.2 | -177.5 | 178.4 | 173.9 | 0 | 109.7 | R51 | R51-K53 HydrophobicContact CB-CG 4.12Å; R51-K53 HydrophobicContact CG-CG 3.64Å; R51-K53 PolarHBondContact O-N 3.25Å |
| 54 | G | 49.5 | Very low | 59.6 | Low | 55 Ų | 55 | 128 Ų | 128 | 57% | 0.567 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -96.5 | 112.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | N52 | N52-G54 PolarHBondContact O-N 3.46Å; N52-G54 VanDerWaalsContact O-N 3.09Å |
| 55 | E | 56 | Low | 61.4 | Low | 181 Ų | 181 | 125.9 Ų | 125.9 | 85% | 0.846 | 67% | 0.669 | S | S | * | * | | | trans | 57.1 | 103.2 | 166.8 | -63.4 | 173.5 | 179.8 | 0 | 0 | 115.6 | S57 | E55-S57 PolarHBondContact O-N 2.93Š|
| 56 | R | 60.9 | Low | 63.2 | Low | 253 Ų | 253 | 124.2 Ų | 124.2 | 96% | 0.955 | 66% | 0.656 | S | S | * | * | | | trans | -68 | 69.9 | 167 | -56.9 | 178.8 | -140.9 | 162.9 | 5.6 | 109.2 | V58 | R56-V58 PolarHBondContact O-N 3.04Å; R56-V58 VanDerWaalsContact O-N 3.17Å |
| 57 | S | 66.6 | Low | 64.9 | Low | 90 Ų | 90 | 123.2 Ų | 123.2 | 63% | 0.629 | 64% | 0.644 | S | S | * | * | | | trans | -68.3 | 111.6 | 172.7 | 58.9 | 0 | 0 | 0 | 0 | 107.9 | E55 T59 | E55-S57 PolarHBondContact O-N 2.93Å; S57-T59 PolarHBondContact O-N 2.8Å; S57-T59 PolarHBondContact O-OG1 2.83Å |
| 58 | V | 70.5 | Confident | 66.2 | Low | 99 Ų | 99 | 122.6 Ų | 122.6 | 60% | 0.6 | 64% | 0.636 | S | S | * | * | | | trans | -65.1 | 102 | 172.4 | 179.7 | 0 | 0 | 0 | 0 | 107.1 | R56 M60 P65 | R56-V58 PolarHBondContact O-N 3.04Å; R56-V58 VanDerWaalsContact O-N 3.17Å; V58-M60 HydrophobicContact CG1-CG 4.42Å; V58-M60 HydrophobicContact CG1-SD 3.9Å; V58-M60 PolarHBondContact O-N 3.37Å; V58-P65 HydrophobicContact CG1-CB 3.47Å; V58-P65 VanDerWaalsContact CG1-CB 3.47Å |
| 59 | T | 76.5 | Confident | 67.7 | Low | 64 Ų | 64 | 118.4 Ų | 118.4 | 39% | 0.393 | 63% | 0.626 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.7 | 119.5 | 176.9 | -53.8 | 0 | 0 | 0 | 0 | 107 | S57 V66 | S57-T59 PolarHBondContact O-N 2.8Å; S57-T59 PolarHBondContact O-OG1 2.83Å; T59-V66 VanDerWaalsContact O-CB 3.3Å; T59-V66 WeakPolarHBondContact O-CB 3.49Å; T59-V66 WeakPolarHBondContact O-CG2 3.48Å; T59-V66 PolarHBondContact O-N 3.36Å |
| 60 | M | 78.8 | Confident | 69.3 | Low | 111 Ų | 111 | 114.3 Ų | 114.3 | 55% | 0.547 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.3 | 125.8 | 179.9 | -64.2 | -71.1 | -82.4 | 0 | 0 | 109.1 | V58 G63 V64 P65 | V58-M60 HydrophobicContact CG1-CG 4.42Å; V58-M60 HydrophobicContact CG1-SD 3.9Å; V58-M60 PolarHBondContact O-N 3.37Å; M60-G63 VanDerWaalsContact CE-O 3.3Å; M60-G63 WeakPolarHBondContact CE-O 3.46Å; M60-V64 WeakPolarHBondContact CA-O 3.3Å; M60-P65 WeakPolarHBondContact SD-CA 3.5Å; M60-P65 HydrophobicContact SD-CB 3.77Å |
| 61 | V | 80.2 | Confident | 71 | Confident | 80 Ų | 80 | 115.8 Ų | 115.8 | 49% | 0.485 | 61% | 0.605 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.5 | 122 | 172.7 | 178.1 | 0 | 0 | 0 | 0 | 107.5 | G63 V64 V66 | V61-G63 PolarHBondContact O-N 3.31Å; V61-G63 VanDerWaalsContact O-N 3.13Å; V61-V64 PolarHBondContact N-O 3.37Å; V61-V64 PolarHBondContact O-N 2.97Å; V61-V66 HydrophobicContact CB-CG2 3.71Å; V61-V66 HydrophobicContact CG2-CG2 3.44Å; V61-V66 VanDerWaalsContact CG2-CG2 3.44Å |
| 62 | N | 82.8 | Confident | 72.5 | Confident | 168 Ų | 168 | 114.7 Ų | 114.7 | 90% | 0.898 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.5 | 35.4 | -176 | -63.7 | -16.6 | 0 | 0 | 0 | 114.4 | V64 | N62-V64 VanDerWaalsContact C-N 3.29Å; N62-V64 PolarHBondContact O-N 3.38Å |
| 63 | G | 84.2 | Confident | 74.2 | Confident | 59 Ų | 59 | 110.2 Ų | 110.2 | 61% | 0.608 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.7 | 1.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | M60 V61 | M60-G63 VanDerWaalsContact CE-O 3.3Å; M60-G63 WeakPolarHBondContact CE-O 3.46Å; V61-G63 PolarHBondContact O-N 3.31Å; V61-G63 VanDerWaalsContact O-N 3.13Å |
| 64 | V | 78.5 | Confident | 75.6 | Confident | 94 Ų | 94 | 106.5 Ų | 106.5 | 57% | 0.57 | 58% | 0.576 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.1 | 132.3 | 176.5 | -175.5 | 0 | 0 | 0 | 0 | 109.7 | M60 V61 N62 V66 | M60-V64 WeakPolarHBondContact CA-O 3.3Å; V61-V64 PolarHBondContact N-O 3.37Å; V61-V64 PolarHBondContact O-N 2.97Å; N62-V64 VanDerWaalsContact C-N 3.29Å; N62-V64 PolarHBondContact O-N 3.38Å; V64-V66 PolarHBondContact O-N 3Å |
| 65 | P | 80.8 | Confident | 77.3 | Confident | 58 Ų | 58 | 107.5 Ų | 107.5 | 38% | 0.377 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.9 | 115.7 | 174.3 | 28 | -33.7 | 0 | 0 | 0 | 110 | V58 M60 R67 | V58-P65 HydrophobicContact CG1-CB 3.47Å; V58-P65 VanDerWaalsContact CG1-CB 3.47Å; M60-P65 WeakPolarHBondContact SD-CA 3.5Å; M60-P65 HydrophobicContact SD-CB 3.77Å; P65-R67 PolarHBondContact O-N 3.33Å |
| 66 | V | 78.8 | Confident | 78.7 | Confident | 36 Ų | 36 | 100.8 Ų | 100.8 | 22% | 0.218 | 56% | 0.555 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.2 | 122.3 | 174.2 | -179.5 | 0 | 0 | 0 | 0 | 108.6 | T59 V61 V64 I68 | T59-V66 VanDerWaalsContact O-CB 3.3Å; T59-V66 WeakPolarHBondContact O-CB 3.49Å; T59-V66 WeakPolarHBondContact O-CG2 3.48Å; T59-V66 PolarHBondContact O-N 3.36Å; V61-V66 HydrophobicContact CB-CG2 3.71Å; V61-V66 HydrophobicContact CG2-CG2 3.44Å; V61-V66 VanDerWaalsContact CG2-CG2 3.44Å; V64-V66 PolarHBondContact O-N 3Å; V66-I68 HydrophobicContact CG1-CG1 3.85Å |
| 67 | R | 78.3 | Confident | 79.9 | Confident | 156 Ų | 156 | 92 Ų | 92 | 59% | 0.589 | 53% | 0.529 | S | S | * | . | | | trans | -108.5 | 83.5 | 175.1 | -64.7 | -173.4 | -173.3 | 165.4 | 0.8 | 106.8 | P65 E69 D70 D71 | P65-R67 PolarHBondContact O-N 3.33Å; R67-E69 PolarHBondContact O-N 2.99Å; R67-D70 HydrophobicContact CB-CB 3.82Å; R67-D70 WeakPolarHBondContact CD-OD2 3.49Å; R67-D70 IonicContact NH1-OD2 3.7Å; R67-D70 WeakPolarHBondContact O-CA 3.48Å; R67-D70 PolarHBondContact O-N 3.07Å; R67-D71 PolarHBondContact N-OD2 3.26Å; R67-D71 WeakPolarHBondContact O-CB 3.01Å; R67-D71 PolarHBondContact O-N 3.46Å |
| 68 | I | 74.8 | Confident | 80.9 | Confident | 107 Ų | 107 | 94.5 Ų | 94.5 | 55% | 0.549 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -50.9 | -38.6 | -172.3 | -57.7 | 173.2 | 0 | 0 | 0 | 112.1 | V66 F72 | V66-I68 HydrophobicContact CG1-CG1 3.85Å; I68-F72 PolarHBondContact O-N 3.47Å; I68-F72 VanDerWaalsContact O-N 3.07Å |
| 69 | E | 75.3 | Confident | 81.6 | Confident | 139 Ų | 139 | 92.4 Ų | 92.4 | 65% | 0.65 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69.4 | -34.4 | 177.5 | -64.2 | -173.9 | 169.8 | 0 | 0 | 113.3 | R51 R67 | R51-E69 IonicContact NE-OE1 3.96Å; R51-E69 IonicContact NH2-OE1 3.48Å; R51-E69 PolarHBondContact NH2-OE1 3.48Å; R51-E69 IonicContact NH2-OE2 3.83Å; R67-E69 PolarHBondContact O-N 2.99Å |
| 70 | D | 80.1 | Confident | 82.1 | Confident | 110 Ų | 110 | 98.1 Ų | 98.1 | 59% | 0.588 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -83.6 | -40.6 | 179.6 | -65.9 | -22.4 | 0 | 0 | 0 | 111.7 | R67 | R67-D70 HydrophobicContact CB-CB 3.82Å; R67-D70 WeakPolarHBondContact CD-OD2 3.49Å; R67-D70 IonicContact NH1-OD2 3.7Å; R67-D70 WeakPolarHBondContact O-CA 3.48Å; R67-D70 PolarHBondContact O-N 3.07Å |
| 71 | D | 81.3 | Confident | 82.6 | Confident | 88 Ų | 88 | 99.8 Ų | 99.8 | 47% | 0.471 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -77.1 | -34.7 | -175.3 | -63.7 | -35.3 | 0 | 0 | 0 | 111.9 | R67 | R67-D71 PolarHBondContact N-OD2 3.26Å; R67-D71 WeakPolarHBondContact O-CB 3.01Å; R67-D71 PolarHBondContact O-N 3.46Å |
| 72 | F | 81.7 | Confident | 83 | Confident | 132 Ų | 132 | 101.8 Ų | 101.8 | 58% | 0.579 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -129.5 | 70 | -175 | -57.5 | -79 | 0 | 0 | 0 | 111.4 | I68 T74 | I68-F72 PolarHBondContact O-N 3.47Å; I68-F72 VanDerWaalsContact O-N 3.07Å; F72-T74 PolarHBondContact O-N 2.74Å |
| 73 | P | 87.1 | Confident | 83.2 | Confident | 59 Ų | 59 | 102.7 Ų | 102.7 | 38% | 0.383 | 55% | 0.551 | S | S | . | * | | | trans | -60.9 | 135.6 | 177.9 | 24.4 | -31.9 | 0 | 0 | 0 | 110 | A75 A76 V77 | P73-A75 PolarHBondContact O-N 3.4Å; P73-A76 HydrophobicContact CG-CB 3.83Å; P73-A76 WeakPolarHBondContact O-CB 3.44Å; P73-A76 PolarHBondContact O-N 3.49Å; P73-V77 PolarHBondContact O-N 3.02Å |
| 74 | T | 84.2 | Confident | 83.4 | Confident | 98 Ų | 98 | 105.9 Ų | 105.9 | 60% | 0.601 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -53.6 | -32.3 | -178.2 | -49 | 0 | 0 | 0 | 0 | 112.4 | F72 V77 K78 | F72-T74 PolarHBondContact O-N 2.74Å; T74-V77 PolarHBondContact O-N 3.38Å; T74-K78 HydrophobicContact CG2-CD 4.34Å; T74-K78 WeakPolarHBondContact O-CB 3.43Å; T74-K78 VanDerWaalsContact O-CG 3.26Å; T74-K78 WeakPolarHBondContact O-CG 3.29Å; T74-K78 PolarHBondContact O-N 2.94Å |
| 75 | A | 85.5 | Confident | 83.9 | Confident | 76 Ų | 76 | 109.4 Ų | 109.4 | 63% | 0.628 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.9 | -40.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | P73 K78 A79 | P73-A75 PolarHBondContact O-N 3.4Å; A75-K78 PolarHBondContact O-N 2.97Å; A75-A79 PolarHBondContact O-N 3.47Å |
| 76 | A | 85.8 | Confident | 84.3 | Confident | 40 Ų | 40 | 111.1 Ų | 111.1 | 33% | 0.331 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68.4 | -45.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | P73 K78 A79 F80 | P73-A76 HydrophobicContact CG-CB 3.83Å; P73-A76 WeakPolarHBondContact O-CB 3.44Å; P73-A76 PolarHBondContact O-N 3.49Å; A76-K78 VanDerWaalsContact C-N 3.26Å; A76-K78 PolarHBondContact O-N 3.21Å; A76-A79 WeakPolarHBondContact O-CB 3.26Å; A76-A79 PolarHBondContact O-N 2.85Å; A76-F80 VanDerWaalsContact O-CD2 3.29Å; A76-F80 WeakPolarHBondContact O-CD2 3.44Å; A76-F80 PolarHBondContact O-N 3.11Å; A76-F80 VanDerWaalsContact O-N 3.11Å |
| 77 | V | 85.6 | Confident | 84.8 | Confident | 67 Ų | 67 | 114.5 Ų | 114.5 | 41% | 0.406 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -56.7 | -43.5 | 175.4 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | P73 T74 A79 F80 H81 | P73-V77 PolarHBondContact O-N 3.02Å; T74-V77 PolarHBondContact O-N 3.38Å; V77-A79 PolarHBondContact O-N 3.14Å; V77-F80 PolarHBondContact O-N 3.44Å; V77-H81 PolarHBondContact O-CE1 3.45Å; V77-H81 PolarHBondContact O-ND1 3.32Å |
| 78 | K | 88.3 | Confident | 85.3 | Confident | 143 Ų | 143 | 114.6 Ų | 114.6 | 62% | 0.622 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61.6 | -42.4 | 174.7 | -75.4 | 174.8 | 176.3 | -178.1 | 0 | 112.4 | T74 A75 A76 F80 H81 | T74-K78 HydrophobicContact CG2-CD 4.34Å; T74-K78 WeakPolarHBondContact O-CB 3.43Å; T74-K78 VanDerWaalsContact O-CG 3.26Å; T74-K78 WeakPolarHBondContact O-CG 3.29Å; T74-K78 PolarHBondContact O-N 2.94Å; A75-K78 PolarHBondContact O-N 2.97Å; A76-K78 VanDerWaalsContact C-N 3.26Å; A76-K78 PolarHBondContact O-N 3.21Å; K78-F80 VanDerWaalsContact C-N 3.32Å; K78-F80 PolarHBondContact O-N 3.39Å; K78-H81 PolarHBondContact O-N 3.23Å; K78-H81 VanDerWaalsContact O-N 3.14Å |
| 79 | A | 85.9 | Confident | 85.8 | Confident | 56 Ų | 56 | 118 Ų | 118 | 46% | 0.463 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -61.6 | -36.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A75 A76 V77 H81 N82 | A75-A79 PolarHBondContact O-N 3.47Å; A76-A79 WeakPolarHBondContact O-CB 3.26Å; A76-A79 PolarHBondContact O-N 2.85Å; V77-A79 PolarHBondContact O-N 3.14Å; A79-H81 PolarHBondContact O-N 3.03Å; A79-N82 WeakPolarHBondContact O-CB 3.42Å; A79-N82 PolarHBondContact O-N 3.07Å; A79-N82 VanDerWaalsContact O-N 3.07Å |
| 80 | F | 85.6 | Confident | 86 | Confident | 183 Ų | 183 | 114.4 Ų | 114.4 | 80% | 0.803 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.2 | -21.6 | 176.3 | -86.7 | -80.3 | 0 | 0 | 0 | 114.2 | A76 V77 K78 | A76-F80 VanDerWaalsContact O-CD2 3.29Å; A76-F80 WeakPolarHBondContact O-CD2 3.44Å; A76-F80 PolarHBondContact O-N 3.11Å; A76-F80 VanDerWaalsContact O-N 3.11Å; V77-F80 PolarHBondContact O-N 3.44Å; K78-F80 VanDerWaalsContact C-N 3.32Å; K78-F80 PolarHBondContact O-N 3.39Å |
| 81 | H | 90.4 | Very high | 86 | Confident | 146 Ų | 146 | 114.6 Ų | 114.6 | 68% | 0.676 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -8.3 | 177.3 | -64.5 | 85 | 0 | 0 | 0 | 112.8 | V77 K78 A79 K83 | V77-H81 PolarHBondContact O-CE1 3.45Å; V77-H81 PolarHBondContact O-ND1 3.32Å; K78-H81 PolarHBondContact O-N 3.23Å; K78-H81 VanDerWaalsContact O-N 3.14Å; A79-H81 PolarHBondContact O-N 3.03Å; H81-K83 PolarHBondContact O-N 3.22Å |
| 82 | N | 87.4 | Confident | 85.8 | Confident | 123 Ų | 123 | 118.5 Ų | 118.5 | 66% | 0.658 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -79.8 | 117.7 | 172.8 | -63.8 | -33.1 | 0 | 0 | 0 | 109 | A79 | A79-N82 WeakPolarHBondContact O-CB 3.42Å; A79-N82 PolarHBondContact O-N 3.07Å; A79-N82 VanDerWaalsContact O-N 3.07Å |
| 83 | K | 88.3 | Confident | 85.8 | Confident | 186 Ų | 186 | 116 Ų | 116 | 81% | 0.809 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 140 | 175.4 | -64.7 | 178.8 | -177.2 | 179.8 | 0 | 109.2 | H81 E85 | H81-K83 PolarHBondContact O-N 3.22Å; K83-E85 PolarHBondContact O-N 3.33Å |
| 84 | P | 88.6 | Confident | 85.3 | Confident | 126 Ų | 126 | 120.9 Ų | 120.9 | 82% | 0.818 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 129 | 178.1 | 26.2 | -33.3 | 0 | 0 | 0 | 110.1 | | |
| 85 | E | 87.7 | Confident | 85.1 | Confident | 169 Ų | 169 | 121.2 Ų | 121.2 | 79% | 0.79 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 141.8 | 172.2 | -70.5 | -69.6 | 150.4 | 0 | 0 | 109.8 | K83 S87 | K83-E85 PolarHBondContact O-N 3.33Å; E85-S87 PolarHBondContact O-N 3.28Å |
| 86 | P | 89.4 | Confident | 84.9 | Confident | 93 Ų | 93 | 123.9 Ų | 123.9 | 60% | 0.604 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 125.7 | 177.6 | 24.7 | -31.9 | 0 | 0 | 0 | 110.8 | H88 | P86-H88 PolarHBondContact O-N 3.49Š|
| 87 | S | 89.5 | Confident | 84.7 | Confident | 108 Ų | 108 | 132.7 Ų | 132.7 | 76% | 0.755 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -64.1 | -22.8 | -179.4 | 155.9 | 0 | 0 | 0 | 0 | 113.9 | E85 | E85-S87 PolarHBondContact O-N 3.28Š|
| 88 | H | 89.4 | Confident | 84.6 | Confident | 157 Ų | 157 | 135.9 Ų | 135.9 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -127.5 | 128.2 | -178.1 | -67.2 | 78.4 | 0 | 0 | 0 | 109.4 | P86 A90 | P86-H88 PolarHBondContact O-N 3.49Å; H88-A90 PolarHBondContact O-N 3.22Å |
| 89 | Q | 84.7 | Confident | 84.4 | Confident | 178 Ų | 178 | 135.7 Ų | 135.7 | 83% | 0.832 | 72% | 0.718 | S | S | * | * | | | trans | -66.6 | 130.4 | 167.1 | -72.8 | -70 | -16.2 | 0 | 0 | 108.8 | S91 | Q89-S91 PolarHBondContact O-N 3.46Å; Q89-S91 VanDerWaalsContact O-N 3.12Å |
| 90 | A | 79.8 | Confident | 84.5 | Confident | 65 Ų | 65 | 142 Ų | 142 | 54% | 0.537 | 74% | 0.737 | S | S | . | * | | | trans | -64.9 | 115.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | H88 H92 | H88-A90 PolarHBondContact O-N 3.22Å; A90-H92 PolarHBondContact O-CE1 3.04Å; A90-H92 PolarHBondContact O-N 3.08Å; A90-H92 PolarHBondContact O-ND1 3.47Å |
| 91 | S | 80.7 | Confident | 84.6 | Confident | 113 Ų | 113 | 140.4 Ų | 140.4 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | | | trans | -72.7 | 99 | 174.8 | -178 | 0 | 0 | 0 | 0 | 109.1 | Q89 S93 | Q89-S91 PolarHBondContact O-N 3.46Å; Q89-S91 VanDerWaalsContact O-N 3.12Å; S91-S93 PolarHBondContact O-N 2.95Å; S91-S93 VanDerWaalsContact O-N 3.08Å |
| 92 | H | 77.2 | Confident | 84.3 | Confident | 171 Ų | 171 | 139.7 Ų | 139.7 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | | | trans | -84 | 69.5 | 172.7 | -57.3 | 93.5 | 0 | 0 | 0 | 109.3 | A90 N94 | A90-H92 PolarHBondContact O-CE1 3.04Å; A90-H92 PolarHBondContact O-N 3.08Å; A90-H92 PolarHBondContact O-ND1 3.47Å; H92-N94 PolarHBondContact O-N 3.12Å |
| 93 | S | 80.9 | Confident | 84 | Confident | 79 Ų | 79 | 145.5 Ų | 145.5 | 55% | 0.552 | 75% | 0.754 | S | S | * | * | | | trans | -80.2 | 113.6 | 166.9 | 170.6 | 0 | 0 | 0 | 0 | 108.9 | S91 T95 | S91-S93 PolarHBondContact O-N 2.95Å; S91-S93 VanDerWaalsContact O-N 3.08Å; S93-T95 PolarHBondContact O-N 3.12Å; S93-T95 PolarHBondContact OG-OG1 2.81Å; S93-T95 VanDerWaalsContact OG-OG1 3.12Å |
| 94 | N | 76.1 | Confident | 83.5 | Confident | 162 Ų | 162 | 149.9 Ų | 149.9 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | | | trans | -69.5 | 73.9 | 164 | -84.1 | -37.9 | 0 | 0 | 0 | 108.8 | H92 I96 | H92-N94 PolarHBondContact O-N 3.12Å; N94-I96 PolarHBondContact O-N 3.04Å |
| 95 | T | 80.6 | Confident | 83.2 | Confident | 104 Ų | 104 | 151.1 Ų | 151.1 | 64% | 0.638 | 77% | 0.77 | S | S | * | * | | | trans | -69.2 | 106 | 169.1 | -57.6 | 0 | 0 | 0 | 0 | 107.1 | S93 R97 | S93-T95 PolarHBondContact O-N 3.12Å; S93-T95 PolarHBondContact OG-OG1 2.81Å; S93-T95 VanDerWaalsContact OG-OG1 3.12Å; T95-R97 PolarHBondContact O-N 2.93Å |
| 96 | I | 80.6 | Confident | 83 | Confident | 132 Ų | 132 | 150.2 Ų | 150.2 | 68% | 0.677 | 77% | 0.769 | S | S | * | * | | | trans | -56.9 | 107.2 | 171.8 | -57.4 | -75.4 | 0 | 0 | 0 | 106.9 | N94 N98 | N94-I96 PolarHBondContact O-N 3.04Å; I96-N98 WeakPolarHBondContact CG2-OD1 3.47Å; I96-N98 PolarHBondContact O-N 2.97Å; I96-N98 VanDerWaalsContact O-N 3.08Å |
| 97 | R | 82.7 | Confident | 82.6 | Confident | 226 Ų | 226 | 153.3 Ų | 153.3 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | | | trans | -77.9 | 95.5 | 171.8 | -61.9 | -166.1 | -165.3 | -169.3 | 5.4 | 107.2 | T95 I99 | T95-R97 PolarHBondContact O-N 2.93Å; R97-I99 WeakPolarHBondContact O-CG1 3.41Å; R97-I99 PolarHBondContact O-N 3.08Å |
| 98 | N | 82.3 | Confident | 82.2 | Confident | 133 Ų | 133 | 156 Ų | 156 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | | | trans | -62.4 | 104.7 | 172.5 | -69.8 | -31 | 0 | 0 | 0 | 108.5 | I96 Q100 | I96-N98 WeakPolarHBondContact CG2-OD1 3.47Å; I96-N98 PolarHBondContact O-N 2.97Å; I96-N98 VanDerWaalsContact O-N 3.08Å; N98-Q100 PolarHBondContact O-N 3.21Å |
| 99 | I | 84.2 | Confident | 81.8 | Confident | 140 Ų | 140 | 155.9 Ų | 155.9 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | | | trans | -79 | 112 | 177.7 | -46.2 | -177.7 | 0 | 0 | 0 | 107.7 | R97 Q101 | R97-I99 WeakPolarHBondContact O-CG1 3.41Å; R97-I99 PolarHBondContact O-N 3.08Å; I99-Q101 HydrophobicContact CG2-CG 3.78Å; I99-Q101 PolarHBondContact O-N 3.3Å |
| 100 | Q | 88.6 | Confident | 81.6 | Confident | 187 Ų | 187 | 154.5 Ų | 154.5 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | | | trans | -84.7 | 88 | 175.7 | -67.2 | 164 | -20.3 | 0 | 0 | 108.8 | N98 | N98-Q100 PolarHBondContact O-N 3.21Š|
| 101 | Q | 87.2 | Confident | 81.7 | Confident | 151 Ų | 151 | 160.9 Ų | 160.9 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | | | trans | -113.1 | 140.8 | 169.9 | -68.8 | -168 | -28.7 | 0 | 0 | 110.9 | I99 R103 | I99-Q101 HydrophobicContact CG2-CG 3.78Å; I99-Q101 PolarHBondContact O-N 3.3Å; Q101-R103 PolarHBondContact O-N 3.29Å |
| 102 | P | 83.8 | Confident | 81.8 | Confident | 131 Ų | 131 | 164.5 Ų | 164.5 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | | | trans | -63 | 125.8 | 174.7 | 26.1 | -31.8 | 0 | 0 | 0 | 109.1 | | |
| 103 | R | 81.3 | Confident | 82.2 | Confident | 245 Ų | 245 | 164 Ų | 164 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | | | trans | -82.7 | 130.7 | 171.6 | -59.4 | 179.4 | 77.5 | 147.6 | 1.8 | 107.2 | Q101 | Q101-R103 PolarHBondContact O-N 3.29Š|
| 104 | K | 78.2 | Confident | 82.3 | Confident | 278 Ų | 278 | 171.7 Ų | 171.7 | 100% | 1.209 | 82% | 0.821 | S | S | * | * | | | trans | -84.5 | 0 | 178.4 | -152.8 | -179.2 | -173.4 | -175.9 | 0 | 110.7 | | |