| 1 | M | 41.7 | Very low | 47.7 | Very low | 241 Ų | 241 | 152.5 Ų | 152.5 | 100% | 1.187 | 82% | 0.82 | S | S | * | * | | | | 0 | 109.4 | 0 | -78.6 | 176.4 | 160.9 | 0 | 0 | 108.4 | | |
| 2 | T | 46.5 | Very low | 47.9 | Very low | 147 Ų | 147 | 151.3 Ų | 151.3 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | | | trans | -177.6 | 106.1 | 143.6 | 27.7 | 0 | 0 | 0 | 0 | 106.5 | | |
| 3 | R | 43.6 | Very low | 48.3 | Very low | 228 Ų | 228 | 149.8 Ų | 149.8 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | trans | -75.3 | 117.9 | 176.5 | -93.4 | 175.4 | 164.4 | 169.3 | -4.7 | 108.4 | H5 | R3-H5 PolarHBondContact O-N 3.27Š|
| 4 | T | 48.8 | Very low | 48.2 | Very low | 123 Ų | 123 | 151.7 Ų | 151.7 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | | | trans | -73.2 | 102.8 | 162.3 | 47.1 | 0 | 0 | 0 | 0 | 108.3 | F6 | T4-F6 PolarHBondContact O-N 3.21Š|
| 5 | H | 50.8 | Low | 48.4 | Very low | 162 Ų | 162 | 156 Ų | 156 | 75% | 0.75 | 80% | 0.803 | S | S | * | * | | | trans | -70.3 | 108.3 | 170 | -90.5 | -101.7 | 0 | 0 | 0 | 109.2 | R3 Q7 | R3-H5 PolarHBondContact O-N 3.27Å; H5-Q7 PolarHBondContact O-N 3.43Å |
| 6 | F | 46.3 | Very low | 48.2 | Very low | 187 Ų | 187 | 159.5 Ų | 159.5 | 82% | 0.82 | 80% | 0.803 | S | S | * | * | | | trans | -82.6 | 102.9 | 159.1 | -85.3 | -87.2 | 0 | 0 | 0 | 107.9 | T4 V8 | T4-F6 PolarHBondContact O-N 3.21Å; F6-V8 PolarHBondContact O-N 3.35Å |
| 7 | Q | 45.2 | Very low | 48 | Very low | 187 Ų | 187 | 155.7 Ų | 155.7 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | | | trans | -83.5 | 98.9 | 170.9 | -171 | 161.5 | 1.9 | 0 | 0 | 108.1 | H5 G9 | H5-Q7 PolarHBondContact O-N 3.43Å; Q7-G9 PolarHBondContact O-N 3.13Å; Q7-G9 VanDerWaalsContact O-N 3.13Å |
| 8 | V | 49.8 | Very low | 48.4 | Very low | 140 Ų | 140 | 155.3 Ų | 155.3 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | | | trans | -76.1 | 95.5 | 169.8 | -178.5 | 0 | 0 | 0 | 0 | 107.1 | F6 | F6-V8 PolarHBondContact O-N 3.35Š|
| 9 | G | 49.5 | Very low | 48.4 | Very low | 45 Ų | 45 | 156.1 Ų | 156.1 | 46% | 0.464 | 80% | 0.801 | S | S | . | * | | | trans | -68.5 | 159.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111 | Q7 A11 | Q7-G9 PolarHBondContact O-N 3.13Å; Q7-G9 VanDerWaalsContact O-N 3.13Å; G9-A11 PolarHBondContact O-N 3.15Å; G9-A11 VanDerWaalsContact O-N 3.08Å |
| 10 | P | 53.6 | Low | 48.3 | Very low | 129 Ų | 129 | 152.9 Ų | 152.9 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | | | trans | -61 | 118 | 179.4 | 26.3 | -32 | 0 | 0 | 0 | 109 | I12 | P10-I12 PolarHBondContact O-N 3.11Å; P10-I12 VanDerWaalsContact O-N 3.11Å |
| 11 | A | 49.5 | Very low | 48.1 | Very low | 88 Ų | 88 | 153 Ų | 153 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | | | trans | -62.2 | 114 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | G9 I13 | G9-A11 PolarHBondContact O-N 3.15Å; G9-A11 VanDerWaalsContact O-N 3.08Å; A11-I13 PolarHBondContact O-N 3.08Å; A11-I13 VanDerWaalsContact O-N 3.15Å |
| 12 | I | 49.9 | Very low | 48.2 | Very low | 139 Ų | 139 | 144.3 Ų | 144.3 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | | | trans | -63.2 | 108.8 | 171.2 | -61.4 | 164.1 | 0 | 0 | 0 | 107 | P10 E14 | P10-I12 PolarHBondContact O-N 3.11Å; P10-I12 VanDerWaalsContact O-N 3.11Å; I12-E14 HydrophobicContact CG2-CB 4.18Å; I12-E14 HydrophobicContact CG2-CG 3.67Å |
| 13 | I | 52.9 | Low | 48 | Very low | 131 Ų | 131 | 142.5 Ų | 142.5 | 67% | 0.672 | 77% | 0.772 | S | S | * | * | | | trans | -102.7 | 76 | 165.1 | -56.7 | 177.5 | 0 | 0 | 0 | 106.5 | A11 R15 | A11-I13 PolarHBondContact O-N 3.08Å; A11-I13 VanDerWaalsContact O-N 3.15Å; I13-R15 VanDerWaalsContact C-N 3.25Å; I13-R15 HydrophobicContact CG2-CB 4.5Å; I13-R15 HydrophobicContact CG2-CG 3.8Å; I13-R15 PolarHBondContact O-N 3.33Å; I13-R15 VanDerWaalsContact O-N 3.08Å |
| 14 | E | 47.4 | Very low | 48.2 | Very low | 177 Ų | 177 | 139.7 Ų | 139.7 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | | | trans | -72.6 | 85.2 | 159 | -81 | 178.9 | 179.6 | 0 | 0 | 107.8 | I12 | I12-E14 HydrophobicContact CG2-CB 4.18Å; I12-E14 HydrophobicContact CG2-CG 3.67Å |
| 15 | R | 50.7 | Low | 48.2 | Very low | 216 Ų | 216 | 138.8 Ų | 138.8 | 82% | 0.815 | 77% | 0.767 | S | S | * | * | | | trans | -90.3 | 106.7 | 159.4 | -76.5 | -170 | -157.7 | -174.6 | 7.7 | 107.7 | I13 A17 | I13-R15 VanDerWaalsContact C-N 3.25Å; I13-R15 HydrophobicContact CG2-CB 4.5Å; I13-R15 HydrophobicContact CG2-CG 3.8Å; I13-R15 PolarHBondContact O-N 3.33Å; I13-R15 VanDerWaalsContact O-N 3.08Å; R15-A17 PolarHBondContact O-N 3.16Å; R15-A17 VanDerWaalsContact O-N 3.16Å |
| 16 | R | 45.4 | Very low | 48.1 | Very low | 212 Ų | 212 | 135.3 Ų | 135.3 | 80% | 0.8 | 76% | 0.758 | S | S | * | * | | | trans | -33.3 | 113.8 | 167.3 | -74 | 174.3 | 172.1 | 171.1 | -3.2 | 111.4 | D18 | R16-D18 VanDerWaalsContact C-N 3.29Š|
| 17 | A | 45 | Very low | 48.2 | Very low | 95 Ų | 95 | 132.3 Ų | 132.3 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | | | trans | -88.7 | 2.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R15 Q19 | R15-A17 PolarHBondContact O-N 3.16Å; R15-A17 VanDerWaalsContact O-N 3.16Å; A17-Q19 VanDerWaalsContact C-N 3.34Å; A17-Q19 PolarHBondContact O-N 3.08Å |
| 18 | D | 54.6 | Low | 48.5 | Very low | 149 Ų | 149 | 131.1 Ų | 131.1 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | | | trans | -90.1 | 24.1 | -174.7 | -66 | -39.5 | 0 | 0 | 0 | 115.1 | R16 | R16-D18 VanDerWaalsContact C-N 3.29Š|
| 19 | Q | 48 | Very low | 48.7 | Very low | 169 Ų | 169 | 130.3 Ų | 130.3 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -128.8 | 62.5 | 172.8 | -76.5 | -159 | 3.2 | 0 | 0 | 112.1 | A17 | A17-Q19 VanDerWaalsContact C-N 3.34Å; A17-Q19 PolarHBondContact O-N 3.08Å |
| 20 | A | 46.8 | Very low | 48.1 | Very low | 92 Ų | 92 | 135.2 Ų | 135.2 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | | | trans | -151.5 | 15.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G22 | A20-G22 PolarHBondContact O-N 3.35Å; A20-G22 VanDerWaalsContact O-N 3.16Å |
| 21 | V | 43.4 | Very low | 47.6 | Very low | 157 Ų | 157 | 133.2 Ų | 133.2 | 95% | 0.952 | 76% | 0.761 | S | S | * | * | | | trans | -89.3 | 64.8 | 167.3 | -169.8 | 0 | 0 | 0 | 0 | 107.7 | | |
| 22 | G | 43.4 | Very low | 47.4 | Very low | 57 Ų | 57 | 133.6 Ų | 133.6 | 59% | 0.588 | 76% | 0.764 | S | S | * | * | | | trans | -124.3 | 99.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | A20 L24 | A20-G22 PolarHBondContact O-N 3.35Å; A20-G22 VanDerWaalsContact O-N 3.16Å; G22-L24 PolarHBondContact O-N 3.16Å |
| 23 | S | 44.3 | Very low | 47 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | trans | 18.8 | 95.4 | 149.9 | -176.4 | 0 | 0 | 0 | 0 | 116.3 | | |
| 24 | L | 46.6 | Very low | 46.3 | Very low | 168 Ų | 168 | 129.7 Ų | 129.7 | 88% | 0.88 | 77% | 0.77 | S | S | * | * | | | trans | -122.5 | 68 | 152.2 | -78.2 | 168.4 | 0 | 0 | 0 | 107.3 | G22 P26 | G22-L24 PolarHBondContact O-N 3.16Å; L24-P26 VanDerWaalsContact O-CD 3.31Å; L24-P26 WeakPolarHBondContact O-CD 3.27Å |
| 25 | V | 48.5 | Very low | 45.9 | Very low | 104 Ų | 104 | 128.2 Ų | 128.2 | 63% | 0.63 | 77% | 0.773 | S | S | * | * | | | trans | -63.1 | 116.5 | 152.3 | 176.2 | 0 | 0 | 0 | 0 | 105.2 | T27 | V25-T27 PolarHBondContact O-N 3.36Š|
| 26 | P | 49.4 | Very low | 45.6 | Very low | 89 Ų | 89 | 123.3 Ų | 123.3 | 58% | 0.578 | 77% | 0.767 | S | S | * | * | | | trans | -70.1 | 95.4 | 166.3 | 16 | -4.3 | 0 | 0 | 0 | 106.1 | L24 F28 | L24-P26 VanDerWaalsContact O-CD 3.31Å; L24-P26 WeakPolarHBondContact O-CD 3.27Å; P26-F28 VanDerWaalsContact C-N 3.3Å; P26-F28 HydrophobicContact CB-CD2 4.4Å; P26-F28 HydrophobicContact CB-CE1 4.5Å; P26-F28 HydrophobicContact CB-CE2 3.9Å; P26-F28 HydrophobicContact CB-CZ 3.96Å; P26-F28 HydrophobicContact CG-CE2 4.01Å; P26-F28 HydrophobicContact CG-CZ 4.2Å; P26-F28 VanDerWaalsContact O-CD2 3.27Å; P26-F28 WeakPolarHBondContact O-CD2 3.31Å; P26-F28 PolarHBondContact O-N 3.06Å |
| 27 | T | 48.8 | Very low | 45.5 | Very low | 125 Ų | 125 | 118.9 Ų | 118.9 | 77% | 0.767 | 77% | 0.769 | S | S | * | * | | | trans | -65.9 | 98.4 | 162.7 | -59 | 0 | 0 | 0 | 0 | 105.4 | V25 | V25-T27 PolarHBondContact O-N 3.36Š|
| 28 | F | 50.7 | Low | 45.7 | Very low | 162 Ų | 162 | 120.8 Ų | 120.8 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | | | trans | -69.9 | 130.8 | 175.8 | -70.6 | -79.9 | 0 | 0 | 0 | 108.7 | P26 T30 | P26-F28 VanDerWaalsContact C-N 3.3Å; P26-F28 HydrophobicContact CB-CD2 4.4Å; P26-F28 HydrophobicContact CB-CE1 4.5Å; P26-F28 HydrophobicContact CB-CE2 3.9Å; P26-F28 HydrophobicContact CB-CZ 3.96Å; P26-F28 HydrophobicContact CG-CE2 4.01Å; P26-F28 HydrophobicContact CG-CZ 4.2Å; P26-F28 VanDerWaalsContact O-CD2 3.27Å; P26-F28 WeakPolarHBondContact O-CD2 3.31Å; P26-F28 PolarHBondContact O-N 3.06Å; F28-T30 PolarHBondContact O-N 3.01Å |
| 29 | P | 54.7 | Low | 45.4 | Very low | 123 Ų | 123 | 118.9 Ų | 118.9 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | | | trans | -61.6 | 115.7 | 179.9 | 24.3 | -31.9 | 0 | 0 | 0 | 109.5 | A31 | P29-A31 PolarHBondContact O-N 2.85Š|
| 30 | T | 36.4 | Very low | 45.5 | Very low | 147 Ų | 147 | 115.8 Ų | 115.8 | 90% | 0.902 | 76% | 0.76 | S | S | * | * | | | trans | -80.5 | 100 | 164.5 | -57 | 0 | 0 | 0 | 0 | 107 | F28 | F28-T30 PolarHBondContact O-N 3.01Š|
| 31 | A | 43.5 | Very low | 45.6 | Very low | 87 Ų | 87 | 116.2 Ų | 116.2 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | | | trans | -159 | 117.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | P29 | P29-A31 PolarHBondContact O-N 2.85Š|
| 32 | A | 45.8 | Very low | 46 | Very low | 97 Ų | 97 | 113.7 Ų | 113.7 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | | | trans | 63.1 | 98.6 | 151.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 33 | S | 40.3 | Very low | 46.4 | Very low | 131 Ų | 131 | 118.5 Ų | 118.5 | 92% | 0.916 | 75% | 0.753 | S | S | * | * | | | | 37.6 | 107.7 | 120.6 | -164.3 | 0 | 0 | 0 | 0 | 117.3 | | |
| 34 | G | 38 | Very low | 47.1 | Very low | 56 Ų | 56 | 116 Ų | 116 | 58% | 0.577 | 74% | 0.74 | S | S | * | * | | | trans | 163.8 | 84.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | T36 | G34-T36 PolarHBondContact O-N 3.03Š|
| 35 | T | 40.2 | Very low | 47.6 | Very low | 147 Ų | 147 | 112.7 Ų | 112.7 | 90% | 0.902 | 73% | 0.728 | S | S | * | * | | | trans | -14.6 | 90.3 | 172.4 | 54.6 | 0 | 0 | 0 | 0 | 115.6 | | |
| 36 | T | 44.7 | Very low | 48.2 | Very low | 112 Ų | 112 | 112.4 Ų | 112.4 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | | | trans | -96.3 | 100 | 167.8 | 51.2 | 0 | 0 | 0 | 0 | 109.3 | G34 I38 | G34-T36 PolarHBondContact O-N 3.03Å; T36-I38 VanDerWaalsContact C-N 3.3Å; T36-I38 PolarHBondContact O-N 3.21Å |
| 37 | S | 42.5 | Very low | 48.6 | Very low | 120 Ų | 120 | 113.5 Ų | 113.5 | 84% | 0.839 | 72% | 0.723 | S | S | * | * | | | trans | -68.1 | 90.8 | 160.3 | 52.7 | 0 | 0 | 0 | 0 | 108.5 | S39 | S37-S39 PolarHBondContact O-N 3.33Š|
| 38 | I | 49.9 | Very low | 48.9 | Very low | 134 Ų | 134 | 117.1 Ų | 117.1 | 69% | 0.687 | 72% | 0.723 | S | S | * | * | | | trans | -83 | 91 | 173 | -50.8 | 173.5 | 0 | 0 | 0 | 106.7 | T36 S40 | T36-I38 VanDerWaalsContact C-N 3.3Å; T36-I38 PolarHBondContact O-N 3.21Å; I38-S40 VanDerWaalsContact C-N 3.32Å; I38-S40 PolarHBondContact O-N 3.45Å |
| 39 | S | 46.9 | Very low | 49.2 | Very low | 110 Ų | 110 | 111.5 Ų | 111.5 | 77% | 0.769 | 71% | 0.706 | S | S | * | * | | | trans | -72.1 | 93.3 | 162.9 | 69 | 0 | 0 | 0 | 0 | 107.9 | S37 S41 | S37-S39 PolarHBondContact O-N 3.33Å; S39-S41 VanDerWaalsContact C-N 3.31Å; S39-S41 PolarHBondContact O-N 3.38Å |
| 40 | S | 50.5 | Low | 49.3 | Very low | 103 Ų | 103 | 108.8 Ų | 108.8 | 72% | 0.72 | 68% | 0.683 | S | S | * | * | | | trans | -78.8 | 73.5 | -179.9 | 61.2 | 0 | 0 | 0 | 0 | 111.4 | I38 S42 | I38-S40 VanDerWaalsContact C-N 3.32Å; I38-S40 PolarHBondContact O-N 3.45Å; S40-S42 VanDerWaalsContact C-N 3.3Å; S40-S42 PolarHBondContact O-N 3.5Å |
| 41 | S | 49.9 | Very low | 50.3 | Low | 102 Ų | 102 | 110.5 Ų | 110.5 | 71% | 0.713 | 68% | 0.678 | S | S | * | * | | | trans | -93.2 | 69.7 | 159.3 | 64.9 | 0 | 0 | 0 | 0 | 108.8 | S39 H43 | S39-S41 VanDerWaalsContact C-N 3.31Å; S39-S41 PolarHBondContact O-N 3.38Å; S41-H43 PolarHBondContact O-N 3.44Å; S41-H43 VanDerWaalsContact O-N 3.13Å |
| 42 | S | 50.2 | Low | 51.2 | Low | 104 Ų | 104 | 110.5 Ų | 110.5 | 73% | 0.727 | 68% | 0.678 | S | S | * | * | | | trans | -84.8 | 79.5 | -177.7 | -155.2 | 0 | 0 | 0 | 0 | 110.3 | S40 | S40-S42 VanDerWaalsContact C-N 3.3Å; S40-S42 PolarHBondContact O-N 3.5Å |
| 43 | H | 52.3 | Low | 51.9 | Low | 157 Ų | 157 | 108.8 Ų | 108.8 | 73% | 0.727 | 65% | 0.654 | S | S | * | * | | | trans | -113.2 | 14.6 | 170.2 | -79.8 | -54.8 | 0 | 0 | 0 | 113.2 | S41 P45 | S41-H43 PolarHBondContact O-N 3.44Å; S41-H43 VanDerWaalsContact O-N 3.13Å; H43-P45 WeakPolarHBondContact O-CD 3.4Å |
| 44 | A | 59.8 | Low | 52.7 | Low | 58 Ų | 58 | 110.9 Ų | 110.9 | 48% | 0.479 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.6 | -12.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | I46 | A44-I46 PolarHBondContact O-N 3.49Š|
| 45 | P | 56.3 | Low | 53.8 | Low | 99 Ų | 99 | 115.4 Ų | 115.4 | 64% | 0.643 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -74.7 | -25.8 | -176.9 | 16.6 | -15.8 | 0 | 0 | 0 | 113.8 | H43 | H43-P45 WeakPolarHBondContact O-CD 3.4Å |
| 46 | I | 60.5 | Low | 55 | Low | 98 Ų | 98 | 113.8 Ų | 113.8 | 50% | 0.503 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -76.3 | -36.9 | -173.1 | -63.6 | 169 | 0 | 0 | 0 | 110.9 | A44 R48 A49 H50 | A44-I46 PolarHBondContact O-N 3.49Å; I46-R48 VanDerWaalsContact C-N 3.32Å; I46-R48 PolarHBondContact O-N 2.93Å; I46-A49 PolarHBondContact O-N 3.01Å; I46-H50 WeakPolarHBondContact CG2-NE2 3.47Å; I46-H50 PolarHBondContact O-CD2 2.65Å; I46-H50 PolarHBondContact O-N 3.5Å |
| 47 | D | 58 | Low | 55.9 | Low | 111 Ų | 111 | 111.2 Ų | 111.2 | 59% | 0.594 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68.3 | -26.2 | -177.8 | -71.1 | -23.7 | 0 | 0 | 0 | 114 | K51 | D47-K51 PolarHBondContact O-N 3.49Å |
| 48 | R | 56 | Low | 57 | Low | 202 Ų | 202 | 113.2 Ų | 113.2 | 76% | 0.762 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -71.5 | -37.3 | 174.1 | -69.9 | -172.1 | -165 | 166.2 | 4.8 | 112.1 | I46 H50 K51 A52 | I46-R48 VanDerWaalsContact C-N 3.32Å; I46-R48 PolarHBondContact O-N 2.93Å; R48-H50 VanDerWaalsContact C-N 3.3Å; R48-H50 PolarHBondContact O-N 3.32Å; R48-K51 PolarHBondContact O-N 3.11Å; R48-A52 PolarHBondContact O-N 3.12Å |
| 49 | A | 56.8 | Low | 57.3 | Low | 43 Ų | 43 | 111.3 Ų | 111.3 | 36% | 0.355 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -68.3 | -32.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | I46 K51 L53 L57 | I46-A49 PolarHBondContact O-N 3.01Å; A49-K51 PolarHBondContact O-N 3.25Å; A49-L53 PolarHBondContact O-N 3.2Å; A49-L57 HydrophobicContact CB-CD1 4.05Å |
| 50 | H | 56.5 | Low | 58 | Low | 67 Ų | 67 | 118.2 Ų | 118.2 | 31% | 0.31 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -67.5 | -29.7 | 175.6 | -79.1 | -69.5 | 0 | 0 | 0 | 114.2 | I46 R48 | I46-H50 WeakPolarHBondContact CG2-NE2 3.47Å; I46-H50 PolarHBondContact O-CD2 2.65Å; I46-H50 PolarHBondContact O-N 3.5Å; R48-H50 VanDerWaalsContact C-N 3.3Å; R48-H50 PolarHBondContact O-N 3.32Å |
| 51 | K | 58.4 | Low | 58.3 | Low | 183 Ų | 183 | 123.6 Ų | 123.6 | 80% | 0.796 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -81.7 | -27.7 | 178.3 | -78.2 | -175.8 | 176.3 | -178.4 | 0 | 113.9 | D47 R48 A49 | D47-K51 PolarHBondContact O-N 3.49Å; R48-K51 PolarHBondContact O-N 3.11Å; A49-K51 PolarHBondContact O-N 3.25Å |
| 52 | A | 60.9 | Low | 58.7 | Low | 87 Ų | 87 | 130.7 Ų | 130.7 | 72% | 0.719 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -79.2 | -23.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | R48 | R48-A52 PolarHBondContact O-N 3.12Å |
| 53 | L | 61.1 | Low | 59 | Low | 60 Ų | 60 | 135.3 Ų | 135.3 | 31% | 0.314 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -110.1 | 106.8 | 178 | -62.6 | 172 | 0 | 0 | 0 | 105.2 | A49 R55 L57 | A49-L53 PolarHBondContact O-N 3.2Å; L53-R55 HydrophobicContact CB-CG 3.79Å; L53-R55 PolarHBondContact O-N 3.27Å; L53-L57 HydrophobicContact CD1-CD1 4Å; L53-L57 HydrophobicContact CD1-CD2 3.42Å; L53-L57 VanDerWaalsContact CD1-CD2 3.42Å; L53-L57 HydrophobicContact CD1-CG 3.95Å |
| 54 | N | 57.3 | Low | 59.2 | Low | 176 Ų | 176 | 130.5 Ų | 130.5 | 94% | 0.941 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -64.8 | 43.3 | 171.6 | -79.2 | -31.1 | 0 | 0 | 0 | 112 | | |
| 55 | R | 61.5 | Low | 58.9 | Low | 151 Ų | 151 | 138.1 Ų | 138.1 | 57% | 0.57 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -150.5 | 129.8 | -179.5 | 55.2 | 176.2 | -179.7 | 124.5 | -1.7 | 108 | L53 L57 | L53-R55 HydrophobicContact CB-CG 3.79Å; L53-R55 PolarHBondContact O-N 3.27Å; R55-L57 PolarHBondContact O-N 2.93Å; R55-L57 VanDerWaalsContact O-N 3.12Å |
| 56 | P | 65.1 | Low | 58.7 | Low | 113 Ų | 113 | 140.4 Ų | 140.4 | 73% | 0.734 | 66% | 0.663 | S | S | * | * | | | trans | -62 | 117.5 | 171.1 | 23.6 | -30 | 0 | 0 | 0 | 109.3 | F58 | P56-F58 PolarHBondContact O-N 3.21Š|
| 57 | L | 64 | Low | 58.2 | Low | 57 Ų | 57 | 140.4 Ų | 140.4 | 30% | 0.298 | 67% | 0.672 | S | S | . | * | S | Bend | trans | -63.7 | -23.7 | 179.2 | -75.9 | 175.3 | 0 | 0 | 0 | 113.2 | A49 L53 R55 | A49-L57 HydrophobicContact CB-CD1 4.05Å; L53-L57 HydrophobicContact CD1-CD1 4Å; L53-L57 HydrophobicContact CD1-CD2 3.42Å; L53-L57 VanDerWaalsContact CD1-CD2 3.42Å; L53-L57 HydrophobicContact CD1-CG 3.95Å; R55-L57 PolarHBondContact O-N 2.93Å; R55-L57 VanDerWaalsContact O-N 3.12Å |
| 58 | F | 65.6 | Low | 57.9 | Low | 163 Ų | 163 | 141.8 Ų | 141.8 | 72% | 0.715 | 69% | 0.685 | S | S | * | * | | | trans | -141.1 | 121 | -179.6 | -60.8 | -72 | 0 | 0 | 0 | 109.4 | P56 | P56-F58 PolarHBondContact O-N 3.21Š|
| 59 | S | 55.7 | Low | 57.1 | Low | 94 Ų | 94 | 135.5 Ų | 135.5 | 66% | 0.657 | 67% | 0.672 | S | S | * | * | | | trans | -77.7 | 125.2 | 159.6 | 91.9 | 0 | 0 | 0 | 0 | 107.2 | R61 | S59-R61 PolarHBondContact O-N 3Š|
| 60 | R | 61.6 | Low | 56.8 | Low | 254 Ų | 254 | 138.5 Ų | 138.5 | 96% | 0.958 | 69% | 0.688 | S | S | * | * | | | trans | -68.5 | 78.2 | 171.2 | -117.9 | -178.6 | -169 | -179.6 | 4.1 | 107.6 | R62 | R60-R62 PolarHBondContact O-N 3.04Š|
| 61 | R | 56.6 | Low | 56.5 | Low | 216 Ų | 216 | 141.6 Ų | 141.6 | 82% | 0.815 | 71% | 0.705 | S | S | * | * | | | trans | -62.6 | 117.6 | 164.8 | -89.8 | -174.1 | 169.7 | -159.4 | -2 | 106.8 | S59 R63 | S59-R61 PolarHBondContact O-N 3Å; R61-R63 VanDerWaalsContact C-N 3.32Å; R61-R63 PolarHBondContact O-N 3.13Å |
| 62 | R | 57.7 | Low | 56 | Low | 252 Ų | 252 | 138.8 Ų | 138.8 | 95% | 0.951 | 70% | 0.699 | S | S | * | * | | | trans | -52.9 | 99 | 164.1 | -88.1 | -176 | 164.3 | -163.2 | -2.9 | 107.1 | R60 G64 | R60-R62 PolarHBondContact O-N 3.04Å; R62-G64 PolarHBondContact O-N 3.41Å |
| 63 | R | 58 | Low | 55.2 | Low | 200 Ų | 200 | 139 Ų | 139 | 76% | 0.755 | 69% | 0.694 | S | S | * | * | | | trans | -72 | 101.4 | 170.6 | -79.3 | -172.7 | -175 | -108.5 | 4.4 | 106.8 | R61 K65 F66 | R61-R63 VanDerWaalsContact C-N 3.32Å; R61-R63 PolarHBondContact O-N 3.13Å; R63-K65 PolarHBondContact O-N 2.9Å; R63-F66 HydrophobicContact CB-CD2 4.03Å; R63-F66 HydrophobicContact CB-CE2 4.31Å; R63-F66 HydrophobicContact CG-CD2 4.15Å; R63-F66 HydrophobicContact CG-CE2 4.13Å |
| 64 | G | 56.3 | Low | 54.5 | Low | 57 Ų | 57 | 145.8 Ų | 145.8 | 59% | 0.588 | 72% | 0.716 | S | S | * | * | | | trans | -52.1 | 133.4 | 158.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | R62 F66 | R62-G64 PolarHBondContact O-N 3.41Å; G64-F66 VanDerWaalsContact O-CD2 3.28Å; G64-F66 WeakPolarHBondContact O-CD2 3.43Å; G64-F66 PolarHBondContact O-N 3.5Å |
| 65 | K | 52.4 | Low | 54.1 | Low | 217 Ų | 217 | 144 Ų | 144 | 94% | 0.943 | 71% | 0.706 | S | S | * | * | | | trans | -3.5 | 87.6 | 170.7 | -53.6 | 176 | -174.9 | -178.8 | 0 | 114.7 | R63 | R63-K65 PolarHBondContact O-N 2.9Š|
| 66 | F | 53.3 | Low | 53.4 | Low | 147 Ų | 147 | 141.5 Ų | 141.5 | 65% | 0.645 | 71% | 0.71 | S | S | * | * | | | trans | -89 | 124.6 | 163.5 | -81.3 | -80 | 0 | 0 | 0 | 108.7 | R63 G64 T68 | R63-F66 HydrophobicContact CB-CD2 4.03Å; R63-F66 HydrophobicContact CB-CE2 4.31Å; R63-F66 HydrophobicContact CG-CD2 4.15Å; R63-F66 HydrophobicContact CG-CE2 4.13Å; G64-F66 VanDerWaalsContact O-CD2 3.28Å; G64-F66 WeakPolarHBondContact O-CD2 3.43Å; G64-F66 PolarHBondContact O-N 3.5Å; F66-T68 PolarHBondContact O-N 2.59Å |
| 67 | S | 49.4 | Very low | 52.4 | Low | 98 Ų | 98 | 139.5 Ų | 139.5 | 69% | 0.685 | 70% | 0.703 | S | S | * | * | | | trans | -50.9 | 130.3 | 175.7 | 179 | 0 | 0 | 0 | 0 | 111.3 | S69 | S67-S69 PolarHBondContact O-N 2.76Å; S67-S69 PolarHBondContact OG-OG 3.04Å; S67-S69 VanDerWaalsContact OG-OG 3.11Å |
| 68 | T | 52.8 | Low | 51.5 | Low | 141 Ų | 141 | 140.9 Ų | 140.9 | 87% | 0.865 | 72% | 0.718 | S | S | * | * | | | trans | -79.4 | 52.9 | -179.9 | 51.1 | 0 | 0 | 0 | 0 | 111.9 | F66 P70 | F66-T68 PolarHBondContact O-N 2.59Å; T68-P70 WeakPolarHBondContact O-CD 3.49Å |
| 69 | S | 38.5 | Very low | 50.6 | Low | 70 Ų | 70 | 136.8 Ų | 136.8 | 49% | 0.49 | 71% | 0.709 | S | S | . | * | | | trans | -92.8 | 114.9 | 176.5 | -54.8 | 0 | 0 | 0 | 0 | 109.6 | S67 I71 | S67-S69 PolarHBondContact O-N 2.76Å; S67-S69 PolarHBondContact OG-OG 3.04Å; S67-S69 VanDerWaalsContact OG-OG 3.11Å; S69-I71 PolarHBondContact O-N 2.68Å |
| 70 | P | 50.2 | Low | 50.4 | Low | 106 Ų | 106 | 139 Ų | 139 | 69% | 0.688 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 32.8 | -170.2 | 33.6 | -36.2 | 0 | 0 | 0 | 113.9 | T68 | T68-P70 WeakPolarHBondContact O-CD 3.49Š|
| 71 | I | 49.9 | Very low | 49.5 | Very low | 131 Ų | 131 | 134.8 Ų | 134.8 | 67% | 0.672 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | -24.5 | -168.3 | -56.9 | 178.6 | 0 | 0 | 0 | 112.6 | S69 | S69-I71 PolarHBondContact O-N 2.68Š|
| 72 | D | 47.5 | Very low | 48.8 | Very low | 125 Ų | 125 | 127 Ų | 127 | 67% | 0.668 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -93.1 | -5.5 | -175.6 | -78.4 | -36.1 | 0 | 0 | 0 | 116.1 | R74 | D72-R74 VanDerWaalsContact C-N 3.31Å; D72-R74 PolarHBondContact O-N 2.73Å |
| 73 | S | 44.1 | Very low | 48.2 | Very low | 90 Ų | 90 | 125.8 Ų | 125.8 | 63% | 0.629 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -80.3 | -9 | -178.2 | 58.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 74 | R | 46.6 | Very low | 47.2 | Very low | 204 Ų | 204 | 121.7 Ų | 121.7 | 77% | 0.77 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -90.9 | -18 | -177.1 | -62.6 | -174.6 | -174.9 | -170.5 | 1.7 | 113.9 | D72 | D72-R74 VanDerWaalsContact C-N 3.31Å; D72-R74 PolarHBondContact O-N 2.73Å |
| 75 | L | 50.2 | Low | 46.5 | Very low | 138 Ų | 138 | 125.6 Ų | 125.6 | 72% | 0.723 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -87.1 | -11.3 | -178.9 | -74.4 | 166.7 | 0 | 0 | 0 | 113.9 | | |
| 76 | C | 46.7 | Very low | 45.6 | Very low | 99 Ų | 99 | 118.4 Ų | 118.4 | 67% | 0.669 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -100.8 | -11.8 | 174.3 | -74.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 77 | A | 43.2 | Very low | 44.8 | Very low | 70 Ų | 70 | 121.4 Ų | 121.4 | 58% | 0.579 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -84.3 | -16.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S79 | A77-S79 VanDerWaalsContact C-N 3.3Å; A77-S79 PolarHBondContact O-N 2.9Å |
| 78 | S | 46.1 | Very low | 44.5 | Very low | 87 Ų | 87 | 123.9 Ų | 123.9 | 61% | 0.608 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -81.4 | -4.4 | 176.1 | 27.1 | 0 | 0 | 0 | 0 | 114 | | |
| 79 | S | 47 | Very low | 43.7 | Very low | 77 Ų | 77 | 126.7 Ų | 126.7 | 54% | 0.538 | 71% | 0.713 | S | S | . | * | G | 310 helix | trans | -91.5 | -7 | -179.2 | -171.3 | 0 | 0 | 0 | 0 | 114.7 | A77 | A77-S79 VanDerWaalsContact C-N 3.3Å; A77-S79 PolarHBondContact O-N 2.9Å |
| 80 | I | 50.2 | Low | 43.6 | Very low | 141 Ų | 141 | 126.9 Ų | 126.9 | 72% | 0.723 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -119.8 | -16.1 | -166 | -66.3 | 173.8 | 0 | 0 | 0 | 113.2 | | |
| 81 | L | 43.7 | Very low | 42.8 | Very low | 165 Ų | 165 | 127.4 Ų | 127.4 | 86% | 0.864 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -135.7 | 16.8 | -174.8 | -120.2 | 89.8 | 0 | 0 | 0 | 115.9 | | |
| 82 | G | 41.1 | Very low | 42.2 | Very low | 53 Ų | 53 | 126.5 Ų | 126.5 | 55% | 0.546 | 72% | 0.721 | S | S | . | * | | | trans | -109.5 | -5.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | S84 | G82-S84 VanDerWaalsContact C-N 3.25Å; G82-S84 PolarHBondContact O-N 2.8Å |
| 83 | W | 44.1 | Very low | 41.8 | Very low | 225 Ų | 225 | 128.9 Ų | 128.9 | 85% | 0.852 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | 43.7 | -172.8 | -61.1 | -15.3 | 0 | 0 | 0 | 113.8 | | |
| 84 | S | 37.3 | Very low | 41.5 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 174.8 | 60.2 | 164.5 | 28.4 | 0 | 0 | 0 | 0 | 113.7 | G82 | G82-S84 VanDerWaalsContact C-N 3.25Å; G82-S84 PolarHBondContact O-N 2.8Å |
| 85 | V | 41.3 | Very low | 41.3 | Very low | 140 Ų | 140 | 127.4 Ų | 127.4 | 85% | 0.848 | 73% | 0.731 | S | S | * | * | | | trans | -145.3 | 114 | 159.9 | -164.7 | 0 | 0 | 0 | 0 | 111 | | |
| 86 | G | 33.7 | Very low | 40.8 | Very low | 66 Ų | 66 | 125.1 Ų | 125.1 | 68% | 0.68 | 72% | 0.724 | S | S | * | * | | | trans | 30.7 | 118.9 | 150.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | L88 | G86-L88 PolarHBondContact O-N 3.03Š|
| 87 | K | 37.7 | Very low | 40.6 | Very low | 210 Ų | 210 | 125.8 Ų | 125.8 | 91% | 0.913 | 74% | 0.737 | S | S | * | * | | | trans | 30.1 | 83.8 | 140.8 | -67.1 | -178.7 | 175.5 | 179.4 | 0 | 115.6 | | |
| 88 | L | 41.6 | Very low | 40.5 | Very low | 150 Ų | 150 | 126.7 Ų | 126.7 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | | | trans | -105.2 | 105.9 | 153.3 | -143.5 | 84.3 | 0 | 0 | 0 | 107.3 | G86 S90 | G86-L88 PolarHBondContact O-N 3.03Å; L88-S90 PolarHBondContact O-N 2.89Å |
| 89 | E | 36.3 | Very low | 40.1 | Very low | 199 Ų | 199 | 134.1 Ų | 134.1 | 93% | 0.93 | 75% | 0.75 | S | S | * | * | | | trans | -64.5 | 88.2 | 161.1 | -66 | -175.8 | 170.8 | 0 | 0 | 107.3 | | |
| 90 | S | 36.6 | Very low | 39.7 | Very low | 74 Ų | 74 | 135.3 Ų | 135.3 | 52% | 0.517 | 76% | 0.758 | S | S | . | * | | | trans | -132.9 | 114.4 | 164.8 | 69.8 | 0 | 0 | 0 | 0 | 107.9 | L88 V92 | L88-S90 PolarHBondContact O-N 2.89Å; S90-V92 VanDerWaalsContact C-N 3.35Å; S90-V92 PolarHBondContact O-N 3.18Å |
| 91 | S | 34.2 | Very low | 39.1 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | -55.8 | 88.4 | 171.2 | 51.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 92 | V | 38 | Very low | 39 | Very low | 113 Ų | 113 | 136.5 Ų | 136.5 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | | | trans | -126.7 | 110 | 154.3 | 179.5 | 0 | 0 | 0 | 0 | 104.8 | S90 L94 | S90-V92 VanDerWaalsContact C-N 3.35Å; S90-V92 PolarHBondContact O-N 3.18Å; V92-L94 PolarHBondContact O-N 2.78Å |
| 93 | H | 37.7 | Very low | 39.2 | Very low | 175 Ų | 175 | 140.8 Ų | 140.8 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | | | trans | -65.8 | 79.5 | -179.7 | -77.1 | -78.5 | 0 | 0 | 0 | 110.5 | V95 | H93-V95 HydrophobicContact CB-CG2 4.17Å; H93-V95 PolarHBondContact O-N 2.86Å |
| 94 | L | 38.7 | Very low | 39.4 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | | | trans | -75.7 | 77.5 | 152.6 | -85.3 | 151.9 | 0 | 0 | 0 | 106.2 | V92 P96 | V92-L94 PolarHBondContact O-N 2.78Å; L94-P96 WeakPolarHBondContact O-CD 3.48Å |
| 95 | V | 41 | Very low | 39.8 | Very low | 101 Ų | 101 | 141 Ų | 141 | 61% | 0.612 | 77% | 0.766 | S | S | * | * | | | trans | -57.7 | 120.7 | 167.3 | 180 | 0 | 0 | 0 | 0 | 105.2 | H93 | H93-V95 HydrophobicContact CB-CG2 4.17Å; H93-V95 PolarHBondContact O-N 2.86Å |
| 96 | P | 39.8 | Very low | 39.7 | Very low | 90 Ų | 90 | 144 Ų | 144 | 58% | 0.584 | 77% | 0.767 | S | S | * | * | | | trans | -54.6 | 155.2 | 168.3 | -10.1 | 23 | 0 | 0 | 0 | 106.4 | L94 T98 | L94-P96 WeakPolarHBondContact O-CD 3.48Å; P96-T98 HydrophobicContact CB-CG2 3.99Å; P96-T98 HydrophobicContact CG-CG2 3.98Å; P96-T98 PolarHBondContact O-N 2.94Å |
| 97 | A | 42.9 | Very low | 40.2 | Very low | 113 Ų | 113 | 147 Ų | 147 | 93% | 0.934 | 77% | 0.768 | S | S | * | * | | | trans | -63.4 | 65.6 | 157.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | R99 | A97-R99 PolarHBondContact O-N 3.41Š|
| 98 | T | 41.9 | Very low | 40.8 | Very low | 89 Ų | 89 | 142.6 Ų | 142.6 | 55% | 0.546 | 76% | 0.764 | S | S | . | * | | | trans | -62.9 | 116.3 | 160.2 | 52.2 | 0 | 0 | 0 | 0 | 103 | P96 S100 | P96-T98 HydrophobicContact CB-CG2 3.99Å; P96-T98 HydrophobicContact CG-CG2 3.98Å; P96-T98 PolarHBondContact O-N 2.94Å; T98-S100 PolarHBondContact O-N 3.06Å |
| 99 | R | 37 | Very low | 41.1 | Very low | 243 Ų | 243 | 145.3 Ų | 145.3 | 92% | 0.917 | 76% | 0.763 | S | S | * | * | | | trans | -17.4 | 91.9 | 152 | -77.1 | 172.7 | 161.5 | -162.4 | -5.9 | 109.6 | A97 R101 | A97-R99 PolarHBondContact O-N 3.41Å; R99-R101 PolarHBondContact O-N 2.85Å |
| 100 | S | 39.4 | Very low | 41.5 | Very low | 103 Ų | 103 | 139.9 Ų | 139.9 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | | | trans | -68.3 | 105.6 | 161.5 | 46.4 | 0 | 0 | 0 | 0 | 101.3 | T98 S102 | T98-S100 PolarHBondContact O-N 3.06Å; S100-S102 PolarHBondContact O-N 3.45Å |
| 101 | R | 37.7 | Very low | 42.1 | Very low | 231 Ų | 231 | 144.7 Ų | 144.7 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | | | trans | -58.5 | 85.7 | 154.7 | -76.8 | -178.6 | 178.3 | -175.4 | -0.2 | 104.2 | R99 L103 | R99-R101 PolarHBondContact O-N 2.85Å; R101-L103 PolarHBondContact O-N 3.25Å |
| 102 | S | 40.5 | Very low | 42.8 | Very low | 100 Ų | 100 | 148.3 Ų | 148.3 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | | | trans | -60.7 | 95.1 | 147.4 | 46.7 | 0 | 0 | 0 | 0 | 103.4 | S100 P104 | S100-S102 PolarHBondContact O-N 3.45Å; S102-P104 WeakPolarHBondContact O-CD 3.28Å |
| 103 | L | 46 | Very low | 43.4 | Very low | 143 Ų | 143 | 147.7 Ų | 147.7 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | | | trans | -51.7 | 125.9 | 152.3 | -74.8 | 169.5 | 0 | 0 | 0 | 104.4 | R101 R105 | R101-L103 PolarHBondContact O-N 3.25Å; L103-R105 VanDerWaalsContact C-N 3.32Å; L103-R105 PolarHBondContact O-N 3.19Å |
| 104 | P | 48.3 | Very low | 43.9 | Very low | 119 Ų | 119 | 148 Ų | 148 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -59.5 | 104.8 | 174.4 | 24.1 | -30.6 | 0 | 0 | 0 | 106.1 | S102 K106 | S102-P104 WeakPolarHBondContact O-CD 3.28Å; P104-K106 VanDerWaalsContact C-N 3.31Å; P104-K106 PolarHBondContact O-N 3.26Å |
| 105 | R | 45.3 | Very low | 44.6 | Very low | 224 Ų | 224 | 144.6 Ų | 144.6 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | | | trans | -68.7 | 105.7 | 162 | -88.5 | -169.3 | 171.4 | 174.4 | -1.7 | 104.5 | L103 D107 | L103-R105 VanDerWaalsContact C-N 3.32Å; L103-R105 PolarHBondContact O-N 3.19Å; R105-D107 PolarHBondContact O-N 3.19Å |
| 106 | K | 38.8 | Very low | 45.1 | Very low | 202 Ų | 202 | 146.9 Ų | 146.9 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | | | trans | -66.7 | 78.9 | 174.4 | -171.7 | 176.1 | -176.7 | 177.8 | 0 | 107.2 | P104 | P104-K106 VanDerWaalsContact C-N 3.31Å; P104-K106 PolarHBondContact O-N 3.26Å |
| 107 | D | 44.1 | Very low | 45.8 | Very low | 131 Ų | 131 | 151 Ų | 151 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | | | trans | -78.7 | 120.3 | 166.2 | -69.2 | -25.4 | 0 | 0 | 0 | 106.9 | R105 R109 | R105-D107 PolarHBondContact O-N 3.19Å; D107-R109 PolarHBondContact O-N 3.27Å |
| 108 | S | 50.6 | Low | 46.1 | Very low | 117 Ų | 117 | 153.2 Ų | 153.2 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -73.3 | 21.9 | -172.1 | 47.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 109 | R | 48.4 | Very low | 46.8 | Very low | 206 Ų | 206 | 153.8 Ų | 153.8 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -144.9 | 99.1 | -174.3 | -61.9 | -172.8 | -178.7 | -141.6 | -0.1 | 107.5 | D107 E111 | D107-R109 PolarHBondContact O-N 3.27Å; R109-E111 VanDerWaalsContact C-N 3.29Å; R109-E111 PolarHBondContact O-N 2.83Å |
| 110 | G | 45.6 | Very low | 47.4 | Very low | 85 Ų | 85 | 146.2 Ų | 146.2 | 88% | 0.876 | 77% | 0.77 | S | S | * | * | | | trans | -68.1 | 77 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 111 | E | 48.6 | Very low | 48 | Very low | 175 Ų | 175 | 147.7 Ų | 147.7 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | -114 | 115.5 | 168.7 | -67.7 | -80.8 | 141.3 | 0 | 0 | 107.4 | R109 A113 | R109-E111 VanDerWaalsContact C-N 3.29Å; R109-E111 PolarHBondContact O-N 2.83Å; E111-A113 PolarHBondContact O-N 2.89Å |
| 112 | E | 49.5 | Very low | 48.3 | Very low | 194 Ų | 194 | 141.2 Ų | 141.2 | 91% | 0.907 | 76% | 0.758 | S | S | * | * | | | trans | -66.4 | 116.8 | 175.8 | -65.8 | -165.8 | 157 | 0 | 0 | 109.3 | E114 | E112-E114 PolarHBondContact O-N 2.96Š|
| 113 | A | 49.6 | Very low | 48.7 | Very low | 99 Ų | 99 | 141.6 Ų | 141.6 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | | | trans | -73.8 | 106.6 | 173 | 0 | 0 | 0 | 0 | 0 | 109.5 | E111 S115 | E111-A113 PolarHBondContact O-N 2.89Å; A113-S115 PolarHBondContact O-N 3Å |
| 114 | E | 48.4 | Very low | 49 | Very low | 182 Ų | 182 | 140.5 Ų | 140.5 | 85% | 0.85 | 74% | 0.742 | S | S | * | * | | | trans | -56.5 | 122.4 | 168.9 | -73.5 | -168.6 | 155 | 0 | 0 | 110.2 | E112 I116 | E112-E114 PolarHBondContact O-N 2.96Å; E114-I116 PolarHBondContact O-N 3.44Å |
| 115 | S | 53.3 | Low | 48.9 | Very low | 90 Ų | 90 | 138.9 Ų | 138.9 | 63% | 0.629 | 74% | 0.738 | S | S | * | * | | | trans | -74.4 | 105.3 | 173.6 | 58.5 | 0 | 0 | 0 | 0 | 109.8 | A113 F117 | A113-S115 PolarHBondContact O-N 3Å; S115-F117 PolarHBondContact O-N 2.87Å |
| 116 | I | 51.8 | Low | 49 | Very low | 148 Ų | 148 | 135.8 Ų | 135.8 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | | | trans | -72.2 | 110.5 | 172.1 | -59.7 | 168.4 | 0 | 0 | 0 | 108.4 | E114 L118 | E114-I116 PolarHBondContact O-N 3.44Å; I116-L118 HydrophobicContact CG2-CD1 4.33Å; I116-L118 PolarHBondContact O-N 3.4Å |
| 117 | F | 54.5 | Low | 49.5 | Very low | 178 Ų | 178 | 130.5 Ų | 130.5 | 78% | 0.781 | 73% | 0.729 | S | S | * | * | | | trans | -79.6 | 111.2 | 168.8 | -73.5 | -89.5 | 0 | 0 | 0 | 109.3 | S115 I119 | S115-F117 PolarHBondContact O-N 2.87Å; F117-I119 PolarHBondContact O-N 3.29Å |
| 118 | L | 49.2 | Very low | 49.5 | Very low | 158 Ų | 158 | 131.8 Ų | 131.8 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | | | trans | -71.2 | 105 | 165.7 | -98.7 | 81.9 | 0 | 0 | 0 | 108.8 | I116 | I116-L118 HydrophobicContact CG2-CD1 4.33Å; I116-L118 PolarHBondContact O-N 3.4Å |
| 119 | I | 56.9 | Low | 49.4 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 52% | 0.523 | 76% | 0.755 | S | S | . | * | | | trans | -79.2 | 126 | 167.2 | -61.5 | 174.8 | 0 | 0 | 0 | 107 | F117 D121 M123 | F117-I119 PolarHBondContact O-N 3.29Å; I119-D121 PolarHBondContact O-N 3.4Å; I119-M123 HydrophobicContact CG2-CB 3.76Å |
| 120 | P | 48.5 | Very low | 49.5 | Very low | 83 Ų | 83 | 128.6 Ų | 128.6 | 54% | 0.539 | 75% | 0.754 | S | S | . | * | | | trans | -59.2 | 130.7 | 174 | -21.9 | 32.6 | 0 | 0 | 0 | 110.5 | C122 M123 | P120-C122 PolarHBondContact O-N 2.86Å; P120-M123 WeakPolarHBondContact O-CB 3.49Å; P120-M123 PolarHBondContact O-N 3.36Å |
| 121 | D | 52.7 | Low | 49.7 | Very low | 135 Ų | 135 | 131.1 Ų | 131.1 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -52 | -21.3 | -175.9 | -68.3 | -34.1 | 0 | 0 | 0 | 114.3 | I119 M123 Q124 | I119-D121 PolarHBondContact O-N 3.4Å; D121-M123 VanDerWaalsContact C-N 3.29Å; D121-M123 PolarHBondContact O-N 3.18Å; D121-Q124 PolarHBondContact O-N 3.5Å |
| 122 | C | 43.5 | Very low | 49.8 | Very low | 94 Ų | 94 | 128.5 Ų | 128.5 | 64% | 0.635 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -68.9 | -21.8 | 175.2 | 61.3 | 0 | 0 | 0 | 0 | 114.4 | P120 | P120-C122 PolarHBondContact O-N 2.86Å |
| 123 | M | 49.1 | Very low | 49.8 | Very low | 108 Ų | 108 | 124.4 Ų | 124.4 | 53% | 0.532 | 73% | 0.733 | S | S | . | * | H | α-helix | trans | -84.8 | -23.3 | 174.2 | -76.9 | -64.7 | -38.3 | 0 | 0 | 112.4 | I119 P120 D121 | I119-M123 HydrophobicContact CG2-CB 3.76Å; P120-M123 WeakPolarHBondContact O-CB 3.49Å; P120-M123 PolarHBondContact O-N 3.36Å; D121-M123 VanDerWaalsContact C-N 3.29Å; D121-M123 PolarHBondContact O-N 3.18Å |
| 124 | Q | 51.4 | Low | 49.8 | Very low | 121 Ų | 121 | 126.1 Ų | 126.1 | 57% | 0.565 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -77.6 | -24.5 | -175.7 | -148.8 | 149.7 | 13.7 | 0 | 0 | 112.3 | D121 M126 | D121-Q124 PolarHBondContact O-N 3.5Å; Q124-M126 VanDerWaalsContact C-N 3.3Å; Q124-M126 PolarHBondContact O-N 3.11Å |
| 125 | A | 46.3 | Very low | 49.9 | Very low | 85 Ų | 85 | 122.1 Ų | 122.1 | 70% | 0.702 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -8.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 126 | M | 47.7 | Very low | 49.6 | Very low | 158 Ų | 158 | 124.5 Ų | 124.5 | 78% | 0.778 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | -2.4 | 176.7 | -95.6 | -169 | -77.9 | 0 | 0 | 113.8 | Q124 | Q124-M126 VanDerWaalsContact C-N 3.3Å; Q124-M126 PolarHBondContact O-N 3.11Å |
| 127 | A | 48.9 | Very low | 49.4 | Very low | 92 Ų | 92 | 122.6 Ų | 122.6 | 76% | 0.76 | 72% | 0.722 | S | S | * | * | | | trans | -118.4 | 9.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 128 | A | 44.5 | Very low | 49 | Very low | 157 Ų | 157 | 117.5 Ų | 117.5 | 100% | 1.298 | 72% | 0.717 | S | S | * | * | | | trans | -110.6 | 0 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |