| 1 | M | 36.2 | Very low | 40.2 | Very low | 247 Ų | 247 | 168.5 Ų | 168.5 | 100% | 1.217 | 86% | 0.86 | S | S | * | * | | | | 0 | 103.6 | 0 | -80.2 | -176.3 | 159.1 | 0 | 0 | 107.5 | | |
| 2 | S | 36.2 | Very low | 40 | Very low | 124 Ų | 124 | 174.7 Ų | 174.7 | 87% | 0.867 | 87% | 0.865 | S | S | * | * | | | trans | -91.1 | 109.1 | -178.9 | -39.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 3 | G | 37.3 | Very low | 40.1 | Very low | 68 Ų | 68 | 167.7 Ų | 167.7 | 70% | 0.701 | 84% | 0.843 | S | S | * | * | | | trans | -93.4 | 104.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | F5 | G3-F5 PolarHBondContact O-N 2.78Å; G3-F5 VanDerWaalsContact O-N 3.09Å |
| 4 | N | 40.4 | Very low | 40.3 | Very low | 165 Ų | 165 | 172.8 Ų | 172.8 | 88% | 0.882 | 85% | 0.848 | S | S | * | * | | | trans | -57.2 | 106.7 | 170.6 | -92 | -16.9 | 0 | 0 | 0 | 109.6 | | |
| 5 | F | 40 | Very low | 40.5 | Very low | 203 Ų | 203 | 173.1 Ų | 173.1 | 89% | 0.89 | 84% | 0.843 | S | S | * | * | | | trans | -84.7 | 108.6 | 160.5 | -100 | -88.3 | 0 | 0 | 0 | 108 | G3 R7 | G3-F5 PolarHBondContact O-N 2.78Å; G3-F5 VanDerWaalsContact O-N 3.09Å; F5-R7 PolarHBondContact O-N 3.33Å; F5-R7 VanDerWaalsContact O-N 3.09Å |
| 6 | D | 40.8 | Very low | 40.7 | Very low | 130 Ų | 130 | 172.6 Ų | 172.6 | 70% | 0.695 | 84% | 0.836 | S | S | * | * | | | trans | -61.5 | 108.8 | 176.6 | -137.4 | -33 | 0 | 0 | 0 | 109.4 | N8 | D6-N8 PolarHBondContact O-N 2.68Å; D6-N8 VanDerWaalsContact O-N 3.08Å |
| 7 | R | 46 | Very low | 40.3 | Very low | 238 Ų | 238 | 167 Ų | 167 | 90% | 0.898 | 83% | 0.833 | S | S | * | * | G | 310 helix | trans | -66.4 | -10.6 | -171.5 | -127.9 | -179.2 | -148.9 | -166.8 | 4.5 | 113.4 | F5 Q9 | F5-R7 PolarHBondContact O-N 3.33Å; F5-R7 VanDerWaalsContact O-N 3.09Å; R7-Q9 PolarHBondContact O-N 3.28Å |
| 8 | N | 41.3 | Very low | 40 | Very low | 152 Ų | 152 | 165.7 Ų | 165.7 | 81% | 0.813 | 83% | 0.828 | S | S | * | * | G | 310 helix | trans | -82.6 | -3.7 | -173 | -75.6 | -37.2 | 0 | 0 | 0 | 115.3 | D6 | D6-N8 PolarHBondContact O-N 2.68Å; D6-N8 VanDerWaalsContact O-N 3.08Å |
| 9 | Q | 42.7 | Very low | 39.9 | Very low | 174 Ų | 174 | 164.3 Ų | 164.3 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | G | 310 helix | trans | -113.2 | 8.9 | -178.1 | -68.8 | -140.4 | 9.9 | 0 | 0 | 116.1 | R7 S11 | R7-Q9 PolarHBondContact O-N 3.28Å; Q9-S11 PolarHBondContact O-N 3.15Å |
| 10 | R | 40.7 | Very low | 39.7 | Very low | 242 Ų | 242 | 162.8 Ų | 162.8 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -80.3 | 93.9 | 173.5 | -139.8 | 174.4 | -171.8 | -159.7 | 1.6 | 110 | R12 | R10-R12 PolarHBondContact O-N 3.13Š|
| 11 | S | 41 | Very low | 39.7 | Very low | 110 Ų | 110 | 163.9 Ų | 163.9 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | | | trans | -29.6 | 122 | 173 | -66.3 | 0 | 0 | 0 | 0 | 112.8 | Q9 S13 | Q9-S11 PolarHBondContact O-N 3.15Å; S11-S13 VanDerWaalsContact C-N 3.3Å; S11-S13 PolarHBondContact O-N 3.31Å |
| 12 | R | 37.2 | Very low | 39.7 | Very low | 243 Ų | 243 | 159.2 Ų | 159.2 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | | | trans | -53.5 | 90.5 | 174.5 | -64.5 | 166.6 | 71.4 | -179.4 | 4.3 | 109.5 | R10 R14 | R10-R12 PolarHBondContact O-N 3.13Å; R12-R14 PolarHBondContact O-N 2.65Å |
| 13 | S | 41.7 | Very low | 39.4 | Very low | 84 Ų | 84 | 160.5 Ų | 160.5 | 59% | 0.587 | 79% | 0.786 | S | S | * | * | | | trans | -60.1 | 124.6 | 165.9 | 179.5 | 0 | 0 | 0 | 0 | 107.8 | S11 F15 | S11-S13 VanDerWaalsContact C-N 3.3Å; S11-S13 PolarHBondContact O-N 3.31Å; S13-F15 PolarHBondContact O-N 3.29Å; S13-F15 VanDerWaalsContact O-N 3.16Å; S13-F15 VanDerWaalsContact OG-CD2 3.31Å; S13-F15 WeakPolarHBondContact OG-CD2 3.39Å; S13-F15 PolarHBondContact OG-N 3.01Å |
| 14 | R | 42.4 | Very low | 39.2 | Very low | 239 Ų | 239 | 164.2 Ų | 164.2 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | | | trans | -72.8 | 6.7 | 175.5 | -62.2 | -177.9 | -158.3 | 169.5 | 5.5 | 112.7 | R12 F16 | R12-R14 PolarHBondContact O-N 2.65Å; R14-F16 PolarHBondContact O-N 3.26Å |
| 15 | F | 43.3 | Very low | 38.9 | Very low | 178 Ų | 178 | 163.6 Ų | 163.6 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -71.2 | 120.4 | 167.5 | -76 | -87.2 | 0 | 0 | 0 | 107.9 | S13 G17 | S13-F15 PolarHBondContact O-N 3.29Å; S13-F15 VanDerWaalsContact O-N 3.16Å; S13-F15 VanDerWaalsContact OG-CD2 3.31Å; S13-F15 WeakPolarHBondContact OG-CD2 3.39Å; S13-F15 PolarHBondContact OG-N 3.01Å; F15-G17 PolarHBondContact O-N 3.09Å |
| 16 | F | 44.3 | Very low | 38.5 | Very low | 165 Ų | 165 | 159.7 Ų | 159.7 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | | | trans | -42.7 | 97.8 | 178.6 | -67.3 | -90.7 | 0 | 0 | 0 | 112.2 | R14 I18 | R14-F16 PolarHBondContact O-N 3.26Å; F16-I18 PolarHBondContact O-N 2.84Å |
| 17 | G | 33.3 | Very low | 37.9 | Very low | 77 Ų | 77 | 163.5 Ų | 163.5 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | | 59.4 | 29.1 | 112 | 0 | 0 | 0 | 0 | 0 | 118.6 | F15 Q19 | F15-G17 PolarHBondContact O-N 3.09Å; G17-Q19 PolarHBondContact O-N 2.85Å |
| 18 | I | 35.4 | Very low | 37.2 | Very low | 144 Ų | 144 | 160.8 Ų | 160.8 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | | | trans | -92.6 | 88.1 | 156.7 | -50.6 | -179.7 | 0 | 0 | 0 | 106.2 | F16 D20 | F16-I18 PolarHBondContact O-N 2.84Å; I18-D20 WeakPolarHBondContact CG2-OD1 3.41Å; I18-D20 PolarHBondContact O-N 2.91Å |
| 19 | Q | 37.8 | Very low | 36.6 | Very low | 138 Ų | 138 | 158.5 Ų | 158.5 | 65% | 0.645 | 78% | 0.784 | S | S | * | * | | | trans | -73.4 | 108.2 | 155.1 | -87.5 | 163.2 | -30 | 0 | 0 | 105.2 | G17 Y21 | G17-Q19 PolarHBondContact O-N 2.85Å; Q19-Y21 HydrophobicContact CB-CD2 3.86Å; Q19-Y21 HydrophobicContact CB-CE2 3.56Å; Q19-Y21 HydrophobicContact CG-CE2 4.48Å; Q19-Y21 WeakPolarHBondContact O-CD2 3.3Å; Q19-Y21 PolarHBondContact O-N 3.17Å; Q19-Y21 PolarHBondContact OE1-OH 3.38Å |
| 20 | D | 36.1 | Very low | 36.2 | Very low | 134 Ų | 134 | 158 Ų | 158 | 72% | 0.717 | 79% | 0.787 | S | S | * | * | | | trans | -62 | 91.5 | 162.9 | -57.6 | -44.7 | 0 | 0 | 0 | 106.2 | I18 D22 | I18-D20 WeakPolarHBondContact CG2-OD1 3.41Å; I18-D20 PolarHBondContact O-N 2.91Å; D20-D22 PolarHBondContact O-N 2.92Å; D20-D22 VanDerWaalsContact O-N 3.08Å |
| 21 | Y | 39.7 | Very low | 35.8 | Very low | 187 Ų | 187 | 155 Ų | 155 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | | | trans | -74.9 | 90.6 | 163.8 | -75 | -82.3 | 0 | 0 | 0 | 105.5 | Q19 D23 | Q19-Y21 HydrophobicContact CB-CD2 3.86Å; Q19-Y21 HydrophobicContact CB-CE2 3.56Å; Q19-Y21 HydrophobicContact CG-CE2 4.48Å; Q19-Y21 WeakPolarHBondContact O-CD2 3.3Å; Q19-Y21 PolarHBondContact O-N 3.17Å; Q19-Y21 PolarHBondContact OE1-OH 3.38Å; Y21-D23 PolarHBondContact O-N 2.97Å; Y21-D23 VanDerWaalsContact O-N 3.13Å |
| 22 | D | 35.8 | Very low | 35.4 | Very low | 149 Ų | 149 | 156.6 Ų | 156.6 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | | | trans | -57.3 | 112.9 | 162.6 | -79.3 | -43.9 | 0 | 0 | 0 | 107.7 | D20 N24 | D20-D22 PolarHBondContact O-N 2.92Å; D20-D22 VanDerWaalsContact O-N 3.08Å; D22-N24 PolarHBondContact O-N 2.93Å; D22-N24 VanDerWaalsContact O-N 3.13Å |
| 23 | D | 31.6 | Very low | 35.1 | Very low | 150 Ų | 150 | 152.7 Ų | 152.7 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | | | trans | -48.8 | 112.9 | 161 | -74.1 | -48.6 | 0 | 0 | 0 | 108.6 | Y21 | Y21-D23 PolarHBondContact O-N 2.97Å; Y21-D23 VanDerWaalsContact O-N 3.13Å |
| 24 | N | 31.9 | Very low | 34.7 | Very low | 147 Ų | 147 | 152 Ų | 152 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | | | trans | 174.9 | 102.1 | 149.1 | -82.1 | -48 | 0 | 0 | 0 | 107.2 | D22 | D22-N24 PolarHBondContact O-N 2.93Å; D22-N24 VanDerWaalsContact O-N 3.13Å |
| 25 | D | 33.7 | Very low | 34.1 | Very low | 151 Ų | 151 | 148 Ų | 148 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | | | | 172.4 | 102 | 121.5 | -82.8 | -24.7 | 0 | 0 | 0 | 111.3 | | |
| 26 | V | 31.6 | Very low | 33.7 | Very low | 121 Ų | 121 | 144.8 Ų | 144.8 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | | | trans | 43.4 | 111.5 | 130.7 | -169.7 | 0 | 0 | 0 | 0 | 117.7 | Q28 | V26-Q28 PolarHBondContact O-N 3.26Å; V26-Q28 VanDerWaalsContact O-N 3.13Å |
| 27 | F | 29.2 | Very low | 33.2 | Very low | 211 Ų | 211 | 139 Ų | 139 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | | | trans | -32.9 | 110.7 | 151.9 | -91 | -102.5 | 0 | 0 | 0 | 113 | | |
| 28 | Q | 30.4 | Very low | 33 | Very low | 181 Ų | 181 | 140.7 Ų | 140.7 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | | | trans | -127.6 | 115.8 | 147.3 | -81.8 | -173.6 | -0.5 | 0 | 0 | 109.1 | V26 N30 | V26-Q28 PolarHBondContact O-N 3.26Å; V26-Q28 VanDerWaalsContact O-N 3.13Å; Q28-N30 PolarHBondContact O-N 3.14Å |
| 29 | S | 30.1 | Very low | 33.1 | Very low | 104 Ų | 104 | 143.5 Ų | 143.5 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | -48.6 | 123.9 | 165.4 | 47.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 30 | N | 33.1 | Very low | 32.5 | Very low | 164 Ų | 164 | 142.2 Ų | 142.2 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | | | trans | -127.5 | 105.8 | 145 | -87.4 | -34 | 0 | 0 | 0 | 107.4 | Q28 | Q28-N30 PolarHBondContact O-N 3.14Š|
| 31 | E | 31.7 | Very low | 32 | Very low | 178 Ų | 178 | 142.6 Ų | 142.6 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | | | trans | -56.7 | 124.7 | 155.5 | -67.2 | 166.7 | 139.1 | 0 | 0 | 108.3 | | |
| 32 | D | 32.4 | Very low | 31.5 | Very low | 144 Ų | 144 | 138.9 Ų | 138.9 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | | | trans | 155.2 | 125 | 130.3 | -82.6 | -22 | 0 | 0 | 0 | 113.1 | | |
| 33 | N | 31 | Very low | 31.4 | Very low | 161 Ų | 161 | 136.8 Ų | 136.8 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | | | trans | 66.7 | 90.6 | 153.2 | -67.1 | -27.1 | 0 | 0 | 0 | 120.1 | | |
| 34 | G | 34 | Very low | 31.5 | Very low | 70 Ų | 70 | 135.7 Ų | 135.7 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | | | trans | -154.1 | 59.7 | 161 | 0 | 0 | 0 | 0 | 0 | 112.1 | C36 | G34-C36 PolarHBondContact O-N 2.86Š|
| 35 | N | 30.2 | Very low | 31.6 | Very low | 155 Ų | 155 | 134.5 Ų | 134.5 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | | | trans | -12.2 | 86.6 | 165.9 | -173.5 | 32.9 | 0 | 0 | 0 | 115 | G37 | N35-G37 PolarHBondContact O-N 3.28Š|
| 36 | C | 34.6 | Very low | 31.4 | Very low | 110 Ų | 110 | 132 Ų | 132 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | | | trans | -79.3 | 95.1 | 161.4 | 47.4 | 0 | 0 | 0 | 0 | 106.7 | G34 T38 | G34-C36 PolarHBondContact O-N 2.86Å; C36-T38 PolarHBondContact O-N 2.92Å; C36-T38 PolarHBondContact O-OG1 2.77Å |
| 37 | G | 33.5 | Very low | 31.4 | Very low | 42 Ų | 42 | 132.2 Ų | 132.2 | 43% | 0.433 | 77% | 0.772 | S | S | . | * | | | trans | -48.6 | 99.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | N35 F39 | N35-G37 PolarHBondContact O-N 3.28Å; G37-F39 VanDerWaalsContact C-N 3.32Å; G37-F39 PolarHBondContact O-N 2.98Å; G37-F39 VanDerWaalsContact O-N 3.12Å |
| 38 | T | 29 | Very low | 31.4 | Very low | 113 Ų | 113 | 125.4 Ų | 125.4 | 69% | 0.693 | 76% | 0.762 | S | S | * | * | | | trans | -77.6 | 89.9 | 165.5 | -53.8 | 0 | 0 | 0 | 0 | 105.9 | C36 T40 | C36-T38 PolarHBondContact O-N 2.92Å; C36-T38 PolarHBondContact O-OG1 2.77Å; T38-T40 HydrophobicContact CG2-CG2 4.27Å; T38-T40 PolarHBondContact O-N 3.12Å |
| 39 | F | 37.1 | Very low | 31.7 | Very low | 204 Ų | 204 | 128.4 Ų | 128.4 | 90% | 0.895 | 77% | 0.767 | S | S | * | * | | | trans | -77.4 | 79.7 | 168.7 | -70 | -75.3 | 0 | 0 | 0 | 109.1 | G37 | G37-F39 VanDerWaalsContact C-N 3.32Å; G37-F39 PolarHBondContact O-N 2.98Å; G37-F39 VanDerWaalsContact O-N 3.12Å |
| 40 | T | 25.8 | Very low | 32.1 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 68% | 0.681 | 77% | 0.766 | S | S | * | * | | | trans | -83.9 | 114.6 | 150.1 | 37 | 0 | 0 | 0 | 0 | 108.1 | T38 | T38-T40 HydrophobicContact CG2-CG2 4.27Å; T38-T40 PolarHBondContact O-N 3.12Å |
| 41 | N | 26.4 | Very low | 32.4 | Very low | 141 Ų | 141 | 126 Ų | 126 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | | | | 172.7 | 133.2 | 112.1 | -117.7 | -21.7 | 0 | 0 | 0 | 114.2 | | |
| 42 | T | 29.5 | Very low | 32.5 | Very low | 110 Ų | 110 | 122 Ų | 122 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | | | trans | 50.2 | 117.9 | 140 | 53.6 | 0 | 0 | 0 | 0 | 121.9 | | |
| 43 | S | 33.2 | Very low | 32.9 | Very low | 104 Ų | 104 | 124.4 Ų | 124.4 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | | 38.1 | 114.6 | 120.5 | -44.1 | 0 | 0 | 0 | 0 | 117.7 | | |
| 44 | T | 32.7 | Very low | 32.9 | Very low | 127 Ų | 127 | 122.6 Ų | 122.6 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | | | | 169.5 | 114.5 | 120.2 | -65.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 45 | T | 33.5 | Very low | 32.9 | Very low | 122 Ų | 122 | 126 Ų | 126 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | | | trans | 36.8 | 122.1 | 151.4 | 61.4 | 0 | 0 | 0 | 0 | 122.5 | | |
| 46 | A | 31.1 | Very low | 33.1 | Very low | 99 Ų | 99 | 125.5 Ų | 125.5 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | S | Bend | | 32.4 | 93.3 | 127.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 47 | S | 31.2 | Very low | 33.3 | Very low | 126 Ų | 126 | 127.9 Ų | 127.9 | 88% | 0.881 | 76% | 0.755 | S | S | * | * | | | trans | 149.1 | 100.4 | 137.1 | 66.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 48 | G | 29.8 | Very low | 33.5 | Very low | 68 Ų | 68 | 131.3 Ų | 131.3 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | | | trans | 166.2 | 60.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S50 | G48-S50 PolarHBondContact O-N 3.11Š|
| 49 | Y | 36.2 | Very low | 34 | Very low | 244 Ų | 244 | 132.8 Ų | 132.8 | 96% | 0.957 | 77% | 0.771 | S | S | * | * | | | trans | -71 | 80.4 | 154.3 | -71.6 | -77.7 | 0 | 0 | 0 | 106.8 | S51 | Y49-S51 PolarHBondContact O-N 2.82Š|
| 50 | S | 38.4 | Very low | 34.1 | Very low | 100 Ų | 100 | 129.5 Ų | 129.5 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | | | trans | -71.1 | 107.2 | 165.8 | 64.2 | 0 | 0 | 0 | 0 | 107.1 | G48 C52 | G48-S50 PolarHBondContact O-N 3.11Å; S50-C52 PolarHBondContact O-N 2.71Å; S50-C52 VanDerWaalsContact O-N 3.11Å |
| 51 | S | 39.5 | Very low | 34.9 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | | | trans | -49.9 | 108.4 | 168.3 | 52.4 | 0 | 0 | 0 | 0 | 110.9 | Y49 | Y49-S51 PolarHBondContact O-N 2.82Š|
| 52 | C | 33 | Very low | 36.2 | Very low | 93 Ų | 93 | 130.7 Ų | 130.7 | 63% | 0.628 | 77% | 0.765 | S | S | * | * | | | trans | -125.9 | 57.1 | 165.8 | 62.8 | 0 | 0 | 0 | 0 | 110.3 | S50 | S50-C52 PolarHBondContact O-N 2.71Å; S50-C52 VanDerWaalsContact O-N 3.11Å |
| 53 | F | 40.8 | Very low | 37.3 | Very low | 194 Ų | 194 | 129.7 Ų | 129.7 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | | | trans | -136.1 | 80.3 | 157.3 | -70.9 | -70.8 | 0 | 0 | 0 | 108.9 | N55 | F53-N55 PolarHBondContact O-N 2.79Å; F53-N55 VanDerWaalsContact O-N 3.16Å |
| 54 | T | 31.7 | Very low | 38.1 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | | | trans | -73.8 | 91.6 | 166.4 | -34.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 55 | N | 34.5 | Very low | 39 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | | | trans | -102.4 | 103.1 | 162.1 | -88 | -25.1 | 0 | 0 | 0 | 107.6 | F53 I57 | F53-N55 PolarHBondContact O-N 2.79Å; F53-N55 VanDerWaalsContact O-N 3.16Å; N55-I57 PolarHBondContact O-N 2.67Å |
| 56 | N | 33.6 | Very low | 40 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | | | trans | -57.5 | 104.3 | 169.7 | -84.8 | -20 | 0 | 0 | 0 | 108.9 | T58 | N56-T58 PolarHBondContact O-N 3.03Š|
| 57 | I | 38.7 | Very low | 41.1 | Very low | 159 Ų | 159 | 133.4 Ų | 133.4 | 82% | 0.815 | 74% | 0.741 | S | S | * | * | | | trans | -79 | 97.8 | 166.3 | -60.5 | 172.3 | 0 | 0 | 0 | 106.5 | N55 | N55-I57 PolarHBondContact O-N 2.67Š|
| 58 | T | 38 | Very low | 42.1 | Very low | 114 Ų | 114 | 133 Ų | 133 | 70% | 0.699 | 73% | 0.725 | S | S | * | * | | | trans | -127.6 | 104.9 | 159 | 24.4 | 0 | 0 | 0 | 0 | 106.8 | N56 | N56-T58 PolarHBondContact O-N 3.03Š|
| 59 | N | 38.6 | Very low | 43.2 | Very low | 144 Ų | 144 | 136 Ų | 136 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | | | trans | 152.6 | 99 | 149.4 | -77.3 | -33.3 | 0 | 0 | 0 | 109.9 | | |
| 60 | D | 40.4 | Very low | 44.1 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | | | | 38.8 | 116 | 129.3 | -60.1 | -20.1 | 0 | 0 | 0 | 120.3 | | |
| 61 | N | 42.2 | Very low | 44.7 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 70% | 0.701 | 71% | 0.706 | S | S | * | * | | | trans | 72.5 | 125.9 | 132.2 | -64.2 | -23.1 | 0 | 0 | 0 | 121.3 | S63 | N61-S63 PolarHBondContact O-N 3.13Š|
| 62 | D | 52.9 | Low | 45.5 | Very low | 145 Ų | 145 | 132.8 Ų | 132.8 | 78% | 0.775 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 73.2 | 14.3 | 146.4 | -56.7 | -19.2 | 0 | 0 | 0 | 121.3 | | |
| 63 | S | 52.5 | Low | 46.6 | Very low | 89 Ų | 89 | 136.6 Ų | 136.6 | 62% | 0.622 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -104.8 | -1.9 | 166.6 | 53.2 | 0 | 0 | 0 | 0 | 115.1 | N61 T65 | N61-S63 PolarHBondContact O-N 3.13Å; S63-T65 VanDerWaalsContact C-N 3.35Å; S63-T65 PolarHBondContact O-N 3.35Å |
| 64 | Q | 50.3 | Low | 47.1 | Very low | 160 Ų | 160 | 130.2 Ų | 130.2 | 75% | 0.748 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -82.2 | -5.6 | 179.3 | -73.4 | -169.8 | 5 | 0 | 0 | 114.9 | I66 F67 | Q64-I66 PolarHBondContact O-N 3.32Å; Q64-F67 PolarHBondContact O-N 3.36Å |
| 65 | T | 51.4 | Low | 47.7 | Very low | 85 Ų | 85 | 131.6 Ų | 131.6 | 52% | 0.521 | 69% | 0.688 | S | S | . | * | G | 310 helix | trans | -65.2 | -20 | 176.2 | 52.4 | 0 | 0 | 0 | 0 | 113.1 | S63 F67 | S63-T65 VanDerWaalsContact C-N 3.35Å; S63-T65 PolarHBondContact O-N 3.35Å; T65-F67 VanDerWaalsContact C-N 3.3Å; T65-F67 PolarHBondContact O-N 2.66Å |
| 66 | I | 55.1 | Low | 48.1 | Very low | 129 Ų | 129 | 130.7 Ų | 130.7 | 66% | 0.662 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -68.1 | -31.3 | 179.4 | -58.3 | 176.5 | 0 | 0 | 0 | 111.3 | Q64 | Q64-I66 PolarHBondContact O-N 3.32Š|
| 67 | F | 55.1 | Low | 48.2 | Very low | 156 Ų | 156 | 129.6 Ų | 129.6 | 68% | 0.684 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -9.5 | -175.7 | -61.6 | -72.6 | 0 | 0 | 0 | 114.3 | Q64 T65 F69 D70 | Q64-F67 PolarHBondContact O-N 3.36Å; T65-F67 VanDerWaalsContact C-N 3.3Å; T65-F67 PolarHBondContact O-N 2.66Å; F67-F69 VanDerWaalsContact C-N 3.25Å; F67-F69 PolarHBondContact O-N 2.86Å; F67-D70 PolarHBondContact O-N 3.46Å |
| 68 | Q | 51.5 | Low | 48.1 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 55% | 0.551 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -75 | -15.2 | -177 | -153.9 | 166 | 27.9 | 0 | 0 | 113.3 | D70 | Q68-D70 VanDerWaalsContact C-N 3.32Å; Q68-D70 PolarHBondContact O-N 2.83Å |
| 69 | F | 52.3 | Low | 47.9 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 58% | 0.579 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -69.3 | -27.4 | 175.2 | -77.3 | -77.6 | 0 | 0 | 0 | 113.2 | F67 E71 M72 F73 | F67-F69 VanDerWaalsContact C-N 3.25Å; F67-F69 PolarHBondContact O-N 2.86Å; F69-E71 VanDerWaalsContact C-N 3.35Å; F69-M72 HydrophobicContact CD1-CE 3.88Å; F69-M72 HydrophobicContact CE1-CE 4.13Å; F69-M72 HydrophobicContact CG-CE 4.45Å; F69-F73 VanDerWaalsContact O-CD2 3.25Å; F69-F73 WeakPolarHBondContact O-CD2 3.11Å |
| 70 | D | 54.8 | Low | 47.7 | Very low | 144 Ų | 144 | 131.4 Ų | 131.4 | 77% | 0.77 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -75.6 | -24.9 | -179.7 | -82.2 | -3.1 | 0 | 0 | 0 | 112.6 | F67 Q68 | F67-D70 PolarHBondContact O-N 3.46Å; Q68-D70 VanDerWaalsContact C-N 3.32Å; Q68-D70 PolarHBondContact O-N 2.83Å |
| 71 | E | 52.8 | Low | 48 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 62% | 0.617 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -90.9 | -26.4 | -175.3 | -150.1 | 168.4 | -161.6 | 0 | 0 | 113.1 | F69 F73 G74 | F69-E71 VanDerWaalsContact C-N 3.35Å; E71-F73 VanDerWaalsContact C-N 3.3Å; E71-F73 PolarHBondContact O-N 3.17Å; E71-G74 PolarHBondContact O-N 3.16Å; E71-G74 VanDerWaalsContact O-N 3.13Å |
| 72 | M | 55.4 | Low | 47.8 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 58% | 0.581 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -67.9 | -25.4 | 178.7 | -74.1 | -170.6 | -70.8 | 0 | 0 | 113.7 | F69 G74 | F69-M72 HydrophobicContact CD1-CE 3.88Å; F69-M72 HydrophobicContact CE1-CE 4.13Å; F69-M72 HydrophobicContact CG-CE 4.45Å; M72-G74 VanDerWaalsContact C-N 3.31Å |
| 73 | F | 57 | Low | 47 | Very low | 172 Ų | 172 | 134.1 Ų | 134.1 | 75% | 0.754 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -2.5 | 174.9 | -66.5 | -77.3 | 0 | 0 | 0 | 113.6 | F69 E71 N76 | F69-F73 VanDerWaalsContact O-CD2 3.25Å; F69-F73 WeakPolarHBondContact O-CD2 3.11Å; E71-F73 VanDerWaalsContact C-N 3.3Å; E71-F73 PolarHBondContact O-N 3.17Å; F73-N76 PolarHBondContact O-OD1 3.24Å |
| 74 | G | 49.6 | Very low | 46.1 | Very low | 61 Ų | 61 | 134.8 Ų | 134.8 | 63% | 0.629 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -14.6 | -180 | 0 | 0 | 0 | 0 | 0 | 114.7 | E71 M72 N76 | E71-G74 PolarHBondContact O-N 3.16Å; E71-G74 VanDerWaalsContact O-N 3.13Å; M72-G74 VanDerWaalsContact C-N 3.31Å; G74-N76 VanDerWaalsContact C-N 3.3Å; G74-N76 PolarHBondContact O-N 2.95Å |
| 75 | Q | 44.5 | Very low | 45.6 | Very low | 152 Ų | 152 | 138.5 Ų | 138.5 | 71% | 0.71 | 72% | 0.716 | S | S | * | * | | | trans | -95.8 | 49.5 | -176.1 | -63.1 | -171.5 | 10.2 | 0 | 0 | 112.4 | T77 | Q75-T77 VanDerWaalsContact C-N 3.3Å; Q75-T77 PolarHBondContact O-N 3.09Å; Q75-T77 VanDerWaalsContact O-N 3.14Å |
| 76 | N | 42.9 | Very low | 44.9 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 66% | 0.658 | 73% | 0.728 | S | S | * | * | | | trans | -82.4 | 88.1 | 163.2 | -53.9 | 38.5 | 0 | 0 | 0 | 106.2 | F73 G74 C78 | F73-N76 PolarHBondContact O-OD1 3.24Å; G74-N76 VanDerWaalsContact C-N 3.3Å; G74-N76 PolarHBondContact O-N 2.95Å; N76-C78 PolarHBondContact O-N 3.16Å; N76-C78 VanDerWaalsContact O-N 3.09Å |
| 77 | T | 37 | Very low | 44.1 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | | | trans | -14.8 | 102.3 | 160.4 | 45.2 | 0 | 0 | 0 | 0 | 114.7 | Q75 | Q75-T77 VanDerWaalsContact C-N 3.3Å; Q75-T77 PolarHBondContact O-N 3.09Å; Q75-T77 VanDerWaalsContact O-N 3.14Å |
| 78 | C | 36.5 | Very low | 43.5 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 87% | 0.872 | 73% | 0.732 | S | S | * | * | | | trans | -112.4 | 85.4 | 154.3 | -72.8 | 0 | 0 | 0 | 0 | 107.1 | N76 D80 | N76-C78 PolarHBondContact O-N 3.16Å; N76-C78 VanDerWaalsContact O-N 3.09Å; C78-D80 PolarHBondContact O-N 3.48Å |
| 79 | Q | 34.3 | Very low | 43.3 | Very low | 179 Ų | 179 | 138.2 Ų | 138.2 | 84% | 0.836 | 75% | 0.747 | S | S | * | * | | | trans | -68.3 | 102.4 | 156.4 | -69.6 | 176.7 | -5.8 | 0 | 0 | 106.6 | | |
| 80 | D | 33.8 | Very low | 43 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | | | trans | -160.2 | 80.4 | 148.5 | -127.1 | -16.4 | 0 | 0 | 0 | 108.7 | C78 D82 | C78-D80 PolarHBondContact O-N 3.48Å; D80-D82 VanDerWaalsContact C-N 3.27Å; D80-D82 PolarHBondContact O-N 2.62Å; D80-D82 VanDerWaalsContact O-N 3.15Å |
| 81 | V | 46.7 | Very low | 42.8 | Very low | 133 Ų | 133 | 137 Ų | 137 | 81% | 0.806 | 75% | 0.753 | S | S | * | * | | | trans | -70.1 | 92.7 | 157.9 | -115.8 | 0 | 0 | 0 | 0 | 104.6 | | |
| 82 | D | 37.3 | Very low | 42.8 | Very low | 143 Ų | 143 | 133.9 Ų | 133.9 | 77% | 0.765 | 75% | 0.746 | S | S | * | * | | | trans | 169.5 | 58.8 | 152.2 | -81.4 | -20.8 | 0 | 0 | 0 | 112.1 | D80 | D80-D82 VanDerWaalsContact C-N 3.27Å; D80-D82 PolarHBondContact O-N 2.62Å; D80-D82 VanDerWaalsContact O-N 3.15Å |
| 83 | Q | 36.6 | Very low | 42.9 | Very low | 192 Ų | 192 | 132.1 Ų | 132.1 | 90% | 0.897 | 74% | 0.743 | S | S | * | * | | | trans | -147.4 | 63.1 | 158.9 | -117.4 | 153.1 | 73.9 | 0 | 0 | 111.9 | | |
| 84 | C | 33.7 | Very low | 42.8 | Very low | 104 Ų | 104 | 129 Ų | 129 | 70% | 0.703 | 74% | 0.74 | S | S | * | * | | | trans | -64.5 | 131.3 | 155 | -81.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 85 | W | 38.6 | Very low | 43.3 | Very low | 237 Ų | 237 | 134.7 Ų | 134.7 | 90% | 0.898 | 76% | 0.755 | S | S | * | * | | | trans | 84.2 | 68.2 | 154.3 | -43.1 | -23.4 | 0 | 0 | 0 | 117.8 | | |
| 86 | S | 37.5 | Very low | 44 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | | | trans | -137.5 | 65 | 134.3 | 51.1 | 0 | 0 | 0 | 0 | 109.5 | S88 | S86-S88 PolarHBondContact O-N 2.88Š|
| 87 | S | 37.8 | Very low | 44.7 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | trans | -68.9 | 69.9 | 165.9 | 56.4 | 0 | 0 | 0 | 0 | 109.3 | L89 | S87-L89 PolarHBondContact O-N 3.25Š|
| 88 | S | 43.5 | Very low | 45.5 | Very low | 99 Ų | 99 | 134.9 Ų | 134.9 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | | | trans | -55.7 | 123.5 | 141.6 | 56.5 | 0 | 0 | 0 | 0 | 105 | S86 S90 | S86-S88 PolarHBondContact O-N 2.88Å; S88-S90 PolarHBondContact O-N 3.43Å |
| 89 | L | 45.9 | Very low | 46.5 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | | | trans | -60.4 | 87.5 | 171 | -80 | 87.4 | 0 | 0 | 0 | 106.3 | S87 D91 | S87-L89 PolarHBondContact O-N 3.25Å; L89-D91 PolarHBondContact O-N 3.31Å |
| 90 | S | 46.5 | Very low | 47.9 | Very low | 81 Ų | 81 | 140.1 Ų | 140.1 | 57% | 0.566 | 76% | 0.758 | S | S | * | * | | | trans | -63 | 124.8 | 166.5 | 61.3 | 0 | 0 | 0 | 0 | 105.4 | S88 S92 | S88-S90 PolarHBondContact O-N 3.43Å; S90-S92 PolarHBondContact O-N 3.26Å; S90-S92 PolarHBondContact O-OG 3.03Å; S90-S92 VanDerWaalsContact O-OG 3.13Å; S90-S92 PolarHBondContact OG-OG 2.78Å |
| 91 | D | 50.7 | Low | 49.4 | Very low | 169 Ų | 169 | 137.2 Ų | 137.2 | 90% | 0.904 | 75% | 0.754 | S | S | * | * | | | trans | -60.7 | 56.4 | 166.6 | -83.5 | -40.8 | 0 | 0 | 0 | 110.2 | L89 P93 | L89-D91 PolarHBondContact O-N 3.31Å; D91-P93 WeakPolarHBondContact O-CD 3.25Å |
| 92 | S | 53.7 | Low | 49.8 | Very low | 68 Ų | 68 | 137.6 Ų | 137.6 | 48% | 0.476 | 75% | 0.751 | S | S | . | * | | | trans | -82.8 | 114.9 | 175.9 | 46.9 | 0 | 0 | 0 | 0 | 106 | S90 | S90-S92 PolarHBondContact O-N 3.26Å; S90-S92 PolarHBondContact O-OG 3.03Å; S90-S92 VanDerWaalsContact O-OG 3.13Å; S90-S92 PolarHBondContact OG-OG 2.78Å |
| 93 | P | 56 | Low | 50.8 | Low | 81 Ų | 81 | 136.4 Ų | 136.4 | 53% | 0.526 | 75% | 0.751 | S | S | . | * | | | trans | -60.9 | 150.3 | 179.9 | 24.6 | -32.6 | 0 | 0 | 0 | 109.5 | D91 L95 | D91-P93 WeakPolarHBondContact O-CD 3.25Å; P93-L95 PolarHBondContact O-N 3.34Å |
| 94 | P | 55.8 | Low | 51.7 | Low | 105 Ų | 105 | 136.2 Ų | 136.2 | 68% | 0.682 | 75% | 0.748 | S | S | * | * | | | trans | -50.8 | 127.5 | -169.6 | 17 | -31 | 0 | 0 | 0 | 111.9 | G96 R97 | P94-G96 PolarHBondContact O-N 3.42Å; P94-R97 PolarHBondContact O-N 3.28Å |
| 95 | L | 60.1 | Low | 52.5 | Low | 181 Ų | 181 | 136.1 Ų | 136.1 | 95% | 0.948 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.5 | 101.1 | 170.7 | -66.9 | 162.7 | 0 | 0 | 0 | 108.2 | P93 | P93-L95 PolarHBondContact O-N 3.34Š|
| 96 | G | 59.2 | Low | 53.2 | Low | 71 Ų | 71 | 131.1 Ų | 131.1 | 73% | 0.732 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 150.1 | -21.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | P94 P98 | P94-G96 PolarHBondContact O-N 3.42Å; G96-P98 WeakPolarHBondContact O-CD 3.31Å |
| 97 | R | 57 | Low | 53.5 | Low | 213 Ų | 213 | 131.9 Ų | 131.9 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -81.9 | 119.9 | 155.8 | -74.6 | -172.8 | 179.2 | -164.9 | 0.2 | 106.7 | P94 R99 | P94-R97 PolarHBondContact O-N 3.28Å; R97-R99 PolarHBondContact O-N 3.42Å |
| 98 | P | 54.5 | Low | 54 | Low | 117 Ų | 117 | 129 Ų | 129 | 76% | 0.76 | 72% | 0.722 | S | S | * | * | | | trans | -48.2 | 119.5 | 161 | -19.1 | 29.5 | 0 | 0 | 0 | 105 | G96 R100 | G96-P98 WeakPolarHBondContact O-CD 3.31Å; P98-R100 VanDerWaalsContact C-N 3.33Å; P98-R100 PolarHBondContact O-N 3.07Å |
| 99 | R | 58.1 | Low | 54.4 | Low | 182 Ų | 182 | 132.3 Ų | 132.3 | 69% | 0.687 | 72% | 0.719 | S | S | * | * | | | trans | -51.6 | 113.8 | 167.8 | -79.5 | -174.5 | 170.9 | 97.4 | -1.8 | 103.1 | R97 A101 | R97-R99 PolarHBondContact O-N 3.42Å; R99-A101 PolarHBondContact O-N 3.2Å |
| 100 | R | 63.9 | Low | 54.7 | Low | 237 Ų | 237 | 130.4 Ų | 130.4 | 89% | 0.894 | 70% | 0.701 | S | S | * | * | | | trans | -56.7 | 99.8 | 163.2 | -80 | -176.9 | 171.4 | -174 | -3.1 | 101.9 | P98 N102 | P98-R100 VanDerWaalsContact C-N 3.33Å; P98-R100 PolarHBondContact O-N 3.07Å; R100-N102 PolarHBondContact O-N 2.93Å |
| 101 | A | 65.1 | Low | 55.2 | Low | 85 Ų | 85 | 132.7 Ų | 132.7 | 70% | 0.702 | 70% | 0.703 | S | S | * | * | | | trans | -50.1 | 120.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 102.6 | R99 | R99-A101 PolarHBondContact O-N 3.2Š|
| 102 | N | 55.5 | Low | 55.5 | Low | 142 Ų | 142 | 128.3 Ų | 128.3 | 76% | 0.759 | 68% | 0.682 | S | S | * | * | | | trans | -46 | 124.3 | 173.9 | -76 | -35 | 0 | 0 | 0 | 105 | R100 K104 | R100-N102 PolarHBondContact O-N 2.93Å; N102-K104 PolarHBondContact O-N 3.05Å |
| 103 | P | 57.7 | Low | 55.7 | Low | 117 Ų | 117 | 130.7 Ų | 130.7 | 76% | 0.76 | 69% | 0.686 | S | S | * | * | | | trans | -50.3 | 114.5 | -178.7 | 19.5 | -30.3 | 0 | 0 | 0 | 105 | P105 | P103-P105 VanDerWaalsContact O-CD 3.3Å; P103-P105 WeakPolarHBondContact O-CD 3.19Å |
| 104 | K | 54.1 | Low | 56 | Low | 189 Ų | 189 | 128.2 Ų | 128.2 | 82% | 0.822 | 67% | 0.667 | S | S | * | * | | | trans | -54.2 | 120.7 | 177.5 | -82.9 | -177.9 | 177.9 | 177.1 | 0 | 103.6 | N102 L106 | N102-K104 PolarHBondContact O-N 3.05Å; K104-L106 PolarHBondContact O-N 2.99Å |
| 105 | P | 50.7 | Low | 56.4 | Low | 101 Ų | 101 | 127.9 Ų | 127.9 | 66% | 0.656 | 67% | 0.665 | S | S | * | * | | | trans | -51 | 126.9 | 171.4 | 19.6 | -28.3 | 0 | 0 | 0 | 105.2 | P103 T107 | P103-P105 VanDerWaalsContact O-CD 3.3Å; P103-P105 WeakPolarHBondContact O-CD 3.19Å; P105-T107 HydrophobicContact CB-CG2 4.35Å; P105-T107 HydrophobicContact CG-CG2 4.32Å; P105-T107 PolarHBondContact O-N 2.73Å |
| 106 | L | 54.1 | Low | 56.5 | Low | 133 Ų | 133 | 120.1 Ų | 120.1 | 70% | 0.696 | 63% | 0.628 | S | S | * | * | | | trans | -65 | 79.2 | -180 | -74.7 | 158.8 | 0 | 0 | 0 | 107.2 | K104 G108 Y110 | K104-L106 PolarHBondContact O-N 2.99Å; L106-G108 PolarHBondContact O-N 3.17Å; L106-Y110 HydrophobicContact CB-CE2 3.95Å; L106-Y110 HydrophobicContact CD2-CE2 3.58Å; L106-Y110 WeakPolarHBondContact CD2-OH 3.38Å; L106-Y110 HydrophobicContact CG-CE2 4.3Å |
| 107 | T | 42.9 | Very low | 56.9 | Low | 127 Ų | 127 | 118 Ų | 118 | 78% | 0.779 | 60% | 0.6 | S | S | * | * | | | trans | -83.6 | 91.2 | 177 | 51.4 | 0 | 0 | 0 | 0 | 106.8 | P105 | P105-T107 HydrophobicContact CB-CG2 4.35Å; P105-T107 HydrophobicContact CG-CG2 4.32Å; P105-T107 PolarHBondContact O-N 2.73Å |
| 108 | G | 49.5 | Very low | 57.5 | Low | 43 Ų | 43 | 113.7 Ų | 113.7 | 44% | 0.443 | 59% | 0.587 | S | S | . | * | S | Bend | trans | 169.9 | 165.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L106 R296 | L106-G108 PolarHBondContact O-N 3.17Å; G108-R296 PolarHBondContact O-NH2 2.7Å |
| 109 | R | 51.7 | Low | 58.2 | Low | 169 Ų | 169 | 111.6 Ų | 111.6 | 64% | 0.638 | 57% | 0.572 | S | S | * | * | | | trans | -97.5 | 93.6 | 174.4 | -70 | 173.6 | 76.7 | -178.1 | -1.8 | 110.5 | E111 R296 | R109-E111 PolarHBondContact O-N 3.41Å; R109-R296 VanDerWaalsContact CA-NE 3.28Å; R109-R296 PolarHBondContact NE-O 3.42Å; R109-R296 PolarHBondContact NH2-O 3.39Å |
| 110 | Y | 52.7 | Low | 58.9 | Low | 127 Ų | 127 | 109.4 Ų | 109.4 | 50% | 0.498 | 57% | 0.57 | S | S | . | * | | | trans | -72.3 | 110.5 | 164.3 | -58.5 | -89.9 | 0 | 0 | 0 | 111.6 | L106 R296 | L106-Y110 HydrophobicContact CB-CE2 3.95Å; L106-Y110 HydrophobicContact CD2-CE2 3.58Å; L106-Y110 WeakPolarHBondContact CD2-OH 3.38Å; L106-Y110 HydrophobicContact CG-CE2 4.3Å; Y110-R296 VanDerWaalsContact CB-NH1 3.34Å; Y110-R296 WeakPolarHBondContact O-CD 2.91Å; Y110-R296 PolarHBondContact O-NE 2.89Å; Y110-R296 VanDerWaalsContact O-NE 3.17Å; Y110-R296 PolarHBondContact O-NH1 2.85Å |
| 111 | E | 56.1 | Low | 59.4 | Low | 129 Ų | 129 | 99.2 Ų | 99.2 | 60% | 0.603 | 54% | 0.539 | S | S | * | . | | | trans | -85.7 | 122.6 | 165 | -172.2 | 167.5 | 138.4 | 0 | 0 | 108.1 | R109 H295 | R109-E111 PolarHBondContact O-N 3.41Å; E111-H295 IonicContact OE1-CE1 2.95Å; E111-H295 PolarHBondContact OE1-CE1 3.44Å; E111-H295 IonicContact OE1-ND1 3.09Å; E111-H295 PolarHBondContact OE1-ND1 3.49Å; E111-H295 VanDerWaalsContact OE1-ND1 3.09Å; E111-H295 IonicContact OE2-CE1 3.68Å; E111-H295 IonicContact OE2-ND1 3.03Å; E111-H295 PolarHBondContact OE2-ND1 3.09Å |
| 112 | V | 57.7 | Low | 59.7 | Low | 77 Ų | 77 | 102.8 Ų | 102.8 | 47% | 0.467 | 54% | 0.539 | S | S | . | . | | | trans | -125.2 | 113.4 | 174.1 | -167.1 | 0 | 0 | 0 | 0 | 107.3 | F114 | V112-F114 HydrophobicContact CB-CE1 4.26Å; V112-F114 HydrophobicContact CB-CE2 3.85Å; V112-F114 HydrophobicContact CB-CZ 3.57Å; V112-F114 HydrophobicContact CG1-CD1 4.15Å; V112-F114 HydrophobicContact CG1-CE1 3.35Å; V112-F114 HydrophobicContact CG1-CE2 3.83Å; V112-F114 HydrophobicContact CG1-CZ 3.17Å; V112-F114 WeakPolarHBondContact O-CE2 3.44Å |
| 113 | E | 57.7 | Low | 60.5 | Low | 119 Ų | 119 | 105.3 Ų | 105.3 | 56% | 0.556 | 54% | 0.538 | S | S | * | . | | | trans | -89.5 | 125.7 | 174 | 179.5 | 165.8 | -139.1 | 0 | 0 | 108.8 | S293 | E113-S293 WeakPolarHBondContact CG-OG 3.01Å; E113-S293 WeakPolarHBondContact OE1-CB 3.42Å; E113-S293 PolarHBondContact OE1-OG 3.24Å |
| 114 | F | 62.7 | Low | 61.4 | Low | 29 Ų | 29 | 103.3 Ų | 103.3 | 13% | 0.127 | 54% | 0.538 | C | S | . | . | | | trans | -105.8 | 134.1 | 177.3 | -57.3 | -76.3 | 0 | 0 | 0 | 109 | V112 G116 I131 P132 V134 | V112-F114 HydrophobicContact CB-CE1 4.26Å; V112-F114 HydrophobicContact CB-CE2 3.85Å; V112-F114 HydrophobicContact CB-CZ 3.57Å; V112-F114 HydrophobicContact CG1-CD1 4.15Å; V112-F114 HydrophobicContact CG1-CE1 3.35Å; V112-F114 HydrophobicContact CG1-CE2 3.83Å; V112-F114 HydrophobicContact CG1-CZ 3.17Å; V112-F114 WeakPolarHBondContact O-CE2 3.44Å; F114-G116 PolarHBondContact O-N 2.82Å; F114-G116 VanDerWaalsContact O-N 3.08Å; F114-I131 HydrophobicContact CB-CG2 4.18Å; F114-I131 HydrophobicContact CD1-CG2 3.35Å; F114-I131 HydrophobicContact CD2-CG2 3.3Å; F114-I131 HydrophobicContact CE1-CG2 3.4Å; F114-I131 VanDerWaalsContact CE1-CG2 3.4Å; F114-I131 HydrophobicContact CE2-CG2 3.36Å; F114-I131 HydrophobicContact CG-CG2 3.29Å; F114-I131 HydrophobicContact CZ-CG2 3.4Å; F114-P132 WeakPolarHBondContact CD1-O 3.48Å; F114-P132 WeakPolarHBondContact CE1-O 2.93Å; F114-V134 HydrophobicContact CE1-CG2 3.71Å; F114-V134 HydrophobicContact CE2-CG2 4.03Å; F114-V134 HydrophobicContact CZ-CG2 3.21Å |
| 115 | P | 62.7 | Low | 62.5 | Low | 98 Ų | 98 | 98.3 Ų | 98.3 | 64% | 0.636 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -62.7 | -19.8 | 178.6 | 25 | -33.4 | 0 | 0 | 0 | 112.4 | V291 | P115-V291 WeakPolarHBondContact O-CA 3.21Š|
| 116 | G | 63.6 | Low | 63.7 | Low | 17 Ų | 17 | 100 Ų | 100 | 18% | 0.175 | 54% | 0.539 | C | S | . | . | | | trans | -168.2 | 150.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | F114 | F114-G116 PolarHBondContact O-N 2.82Å; F114-G116 VanDerWaalsContact O-N 3.08Å |
| 117 | I | 66.3 | Low | 64.5 | Low | 27 Ų | 27 | 96.7 Ų | 96.7 | 14% | 0.138 | 52% | 0.524 | C | S | . | . | | | trans | -107.3 | 125 | 170.9 | -58.4 | -179 | 0 | 0 | 0 | 107 | F129 I131 V147 I292 | I117-F129 HydrophobicContact CG2-CB 3.65Å; I117-F129 HydrophobicContact CG2-CD1 3.23Å; I117-F129 HydrophobicContact CG2-CE1 3.99Å; I117-F129 HydrophobicContact CG2-CG 3.65Å; I117-I131 HydrophobicContact CG2-CG1 4.18Å; I117-V147 HydrophobicContact CD1-CG2 4.21Å; I117-I292 HydrophobicContact CB-CD1 4.5Å; I117-I292 HydrophobicContact CD1-CG2 3.67Å; I117-I292 HydrophobicContact CG1-CB 4.38Å; I117-I292 HydrophobicContact CG1-CG2 3.93Å |
| 118 | F | 69.9 | Low | 66.1 | Low | 122 Ų | 122 | 95.6 Ų | 95.6 | 54% | 0.535 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 129.1 | 174.7 | -63.7 | -82.1 | 0 | 0 | 0 | 109.5 | E120 F129 N130 | F118-E120 PolarHBondContact O-N 3Å; F118-F129 CarbonylContact O-C 3.49Å; F118-F129 VanDerWaalsContact O-CA 3.29Å; F118-F129 WeakPolarHBondContact O-CA 3.33Å; F118-N130 PolarHBondContact N-O 3.49Å; F118-N130 PolarHBondContact O-N 3.03Å |
| 119 | V | 70 | Confident | 67.3 | Low | 73 Ų | 73 | 97.7 Ų | 97.7 | 44% | 0.442 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 115.4 | 169.4 | 178.1 | 0 | 0 | 0 | 0 | 107.9 | F122 V127 K128 F129 | V119-F122 HydrophobicContact CG1-CD2 4.27Å; V119-F122 HydrophobicContact CG1-CE2 3.69Å; V119-F122 HydrophobicContact CG1-CZ 3.87Å; V119-V127 HydrophobicContact CB-CG1 4.44Å; V119-V127 HydrophobicContact CG1-CG1 3.65Å; V119-V127 HydrophobicContact CG2-CG1 4Å; V119-K128 CarbonylContact C-O 3.53Å; V119-K128 WeakPolarHBondContact CA-O 3.24Å; V119-F129 HydrophobicContact CG2-CD1 3.95Å; V119-F129 HydrophobicContact CG2-CE1 3.73Å |
| 120 | E | 72.7 | Confident | 68.4 | Low | 136 Ų | 136 | 94.2 Ų | 94.2 | 64% | 0.636 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78 | -32.2 | 177.7 | -172.3 | -171.4 | -178.7 | 0 | 0 | 111.2 | F118 K128 | F118-E120 PolarHBondContact O-N 3Å; E120-K128 HydrophobicContact CB-CB 4Å; E120-K128 PolarHBondContact N-O 2.63Å |
| 121 | G | 74.1 | Confident | 69.3 | Low | 24 Ų | 24 | 88.7 Ų | 88.7 | 25% | 0.247 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.1 | 169.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | K128 | G121-K128 PolarHBondContact O-N 3.38Å |
| 122 | F | 70.5 | Confident | 70 | Confident | 160 Ų | 160 | 85.5 Ų | 85.5 | 70% | 0.702 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 118.8 | 174.9 | -61.8 | -92.3 | 0 | 0 | 0 | 108.8 | V119 H126 V127 | V119-F122 HydrophobicContact CG1-CD2 4.27Å; V119-F122 HydrophobicContact CG1-CE2 3.69Å; V119-F122 HydrophobicContact CG1-CZ 3.87Å; F122-H126 WeakPolarHBondContact CA-O 3.24Å; F122-V127 HydrophobicContact CD1-CB 4.38Å; F122-V127 HydrophobicContact CD1-CG1 4.33Å; F122-V127 HydrophobicContact CD1-CG2 3.75Å; F122-V127 HydrophobicContact CE1-CB 4.21Å; F122-V127 HydrophobicContact CE1-CG1 3.87Å; F122-V127 HydrophobicContact CE1-CG2 3.51Å; F122-V127 HydrophobicContact CZ-CG1 4.26Å |
| 123 | R | 73 | Confident | 70.8 | Confident | 195 Ų | 195 | 86 Ų | 86 | 74% | 0.736 | 49% | 0.489 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 130.9 | 174.6 | -166.7 | 178.5 | -179.4 | -158.1 | -0.3 | 110.3 | G125 H126 | R123-G125 PolarHBondContact O-N 3.32Å; R123-H126 PolarHBondContact N-O 3.01Å; R123-H126 WeakPolarHBondContact O-CB 3.14Å; R123-H126 PolarHBondContact O-N 3.47Å |
| 124 | G | 77 | Confident | 71.6 | Confident | 74 Ų | 74 | 82.3 Ų | 82.3 | 76% | 0.763 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 30.2 | 175 | 0 | 0 | 0 | 0 | 0 | 114.4 | H126 | G124-H126 VanDerWaalsContact C-N 3.3Å; G124-H126 PolarHBondContact O-CD2 3.32Å; G124-H126 VanDerWaalsContact O-CD2 3.3Å; G124-H126 PolarHBondContact O-N 3.22Å |
| 125 | G | 77.1 | Confident | 72.2 | Confident | 85 Ų | 85 | 87.7 Ų | 87.7 | 88% | 0.876 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | 2.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R123 | R123-G125 PolarHBondContact O-N 3.32Š|
| 126 | H | 75.3 | Confident | 72.8 | Confident | 137 Ų | 137 | 92.8 Ų | 92.8 | 63% | 0.634 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 139.6 | 177 | -59.1 | -80.2 | 0 | 0 | 0 | 111.6 | F122 R123 G124 | F122-H126 WeakPolarHBondContact CA-O 3.24Å; R123-H126 PolarHBondContact N-O 3.01Å; R123-H126 WeakPolarHBondContact O-CB 3.14Å; R123-H126 PolarHBondContact O-N 3.47Å; G124-H126 VanDerWaalsContact C-N 3.3Å; G124-H126 PolarHBondContact O-CD2 3.32Å; G124-H126 VanDerWaalsContact O-CD2 3.3Å; G124-H126 PolarHBondContact O-N 3.22Å |
| 127 | V | 70.5 | Confident | 73.5 | Confident | 63 Ų | 63 | 95.6 Ų | 95.6 | 38% | 0.382 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 124 | 169.6 | -168.3 | 0 | 0 | 0 | 0 | 108.2 | V119 F122 F129 | V119-V127 HydrophobicContact CB-CG1 4.44Å; V119-V127 HydrophobicContact CG1-CG1 3.65Å; V119-V127 HydrophobicContact CG2-CG1 4Å; F122-V127 HydrophobicContact CD1-CB 4.38Å; F122-V127 HydrophobicContact CD1-CG1 4.33Å; F122-V127 HydrophobicContact CD1-CG2 3.75Å; F122-V127 HydrophobicContact CE1-CB 4.21Å; F122-V127 HydrophobicContact CE1-CG1 3.87Å; F122-V127 HydrophobicContact CE1-CG2 3.51Å; F122-V127 HydrophobicContact CZ-CG1 4.26Å; V127-F129 HydrophobicContact CB-CE2 4.19Å; V127-F129 HydrophobicContact CB-CZ 4.07Å; V127-F129 HydrophobicContact CG1-CD1 4.3Å; V127-F129 HydrophobicContact CG1-CE1 3.75Å; V127-F129 HydrophobicContact CG1-CE2 4.1Å; V127-F129 HydrophobicContact CG1-CZ 3.63Å |
| 128 | K | 77.6 | Confident | 74 | Confident | 104 Ų | 104 | 97.4 Ų | 97.4 | 45% | 0.452 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.4 | 134.8 | 172.7 | -67.3 | -174.7 | 175.2 | -171 | 0 | 109.6 | V119 E120 G121 | V119-K128 CarbonylContact C-O 3.53Å; V119-K128 WeakPolarHBondContact CA-O 3.24Å; E120-K128 HydrophobicContact CB-CB 4Å; E120-K128 PolarHBondContact N-O 2.63Å; G121-K128 PolarHBondContact O-N 3.38Å |
| 129 | F | 74.6 | Confident | 74.1 | Confident | 87 Ų | 87 | 95.8 Ų | 95.8 | 38% | 0.382 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116 | 131.1 | 176.5 | -60.2 | -71.9 | 0 | 0 | 0 | 110.1 | I117 F118 V119 V127 I131 | I117-F129 HydrophobicContact CG2-CB 3.65Å; I117-F129 HydrophobicContact CG2-CD1 3.23Å; I117-F129 HydrophobicContact CG2-CE1 3.99Å; I117-F129 HydrophobicContact CG2-CG 3.65Å; F118-F129 CarbonylContact O-C 3.49Å; F118-F129 VanDerWaalsContact O-CA 3.29Å; F118-F129 WeakPolarHBondContact O-CA 3.33Å; V119-F129 HydrophobicContact CG2-CD1 3.95Å; V119-F129 HydrophobicContact CG2-CE1 3.73Å; V127-F129 HydrophobicContact CB-CE2 4.19Å; V127-F129 HydrophobicContact CB-CZ 4.07Å; V127-F129 HydrophobicContact CG1-CD1 4.3Å; V127-F129 HydrophobicContact CG1-CE1 3.75Å; V127-F129 HydrophobicContact CG1-CE2 4.1Å; V127-F129 HydrophobicContact CG1-CZ 3.63Å; F129-I131 HydrophobicContact CB-CD1 4.46Å; F129-I131 HydrophobicContact CB-CG1 4.08Å |
| 130 | N | 74.6 | Confident | 74.6 | Confident | 95 Ų | 95 | 99.2 Ų | 99.2 | 51% | 0.508 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.2 | 112.1 | 161.9 | -172.9 | 2.4 | 0 | 0 | 0 | 107.9 | F118 | F118-N130 PolarHBondContact N-O 3.49Å; F118-N130 PolarHBondContact O-N 3.03Å |
| 131 | I | 72.2 | Confident | 74.5 | Confident | 12 Ų | 12 | 99.4 Ų | 99.4 | 6% | 0.062 | 58% | 0.582 | C | S | . | * | | | trans | -108.3 | 112.3 | -179.3 | -56.3 | 177.5 | 0 | 0 | 0 | 107.8 | F114 I117 F129 G133 V134 M145 | F114-I131 HydrophobicContact CB-CG2 4.18Å; F114-I131 HydrophobicContact CD1-CG2 3.35Å; F114-I131 HydrophobicContact CD2-CG2 3.3Å; F114-I131 HydrophobicContact CE1-CG2 3.4Å; F114-I131 VanDerWaalsContact CE1-CG2 3.4Å; F114-I131 HydrophobicContact CE2-CG2 3.36Å; F114-I131 HydrophobicContact CG-CG2 3.29Å; F114-I131 HydrophobicContact CZ-CG2 3.4Å; I117-I131 HydrophobicContact CG2-CG1 4.18Å; F129-I131 HydrophobicContact CB-CD1 4.46Å; F129-I131 HydrophobicContact CB-CG1 4.08Å; I131-G133 PolarHBondContact O-N 3.41Å; I131-V134 HydrophobicContact CB-CB 4.03Å; I131-V134 HydrophobicContact CB-CG2 3.83Å; I131-V134 HydrophobicContact CG2-CB 4.25Å; I131-V134 HydrophobicContact CG2-CG2 3.51Å; I131-V134 PolarHBondContact O-N 3.03Å; I131-V134 VanDerWaalsContact O-N 3.07Å; I131-M145 HydrophobicContact CD1-CE 3.51Å; I131-M145 HydrophobicContact CD1-SD 4.26Å |
| 132 | P | 70.7 | Confident | 74.5 | Confident | 62 Ų | 62 | 103.9 Ų | 103.9 | 40% | 0.403 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -54.5 | 128.9 | 179 | -25.9 | 34.4 | 0 | 0 | 0 | 111.7 | F114 V134 | F114-P132 WeakPolarHBondContact CD1-O 3.48Å; F114-P132 WeakPolarHBondContact CE1-O 2.93Å; P132-V134 VanDerWaalsContact C-N 3.34Å |
| 133 | G | 74.2 | Confident | 74.7 | Confident | 86 Ų | 86 | 99.2 Ų | 99.2 | 89% | 0.887 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85.9 | -2.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | I131 | I131-G133 PolarHBondContact O-N 3.41Š|
| 134 | V | 73.9 | Confident | 74.7 | Confident | 43 Ų | 43 | 92.5 Ų | 92.5 | 26% | 0.261 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -101 | 118.2 | 172.7 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | F114 I131 P132 S138 L139 | F114-V134 HydrophobicContact CE1-CG2 3.71Å; F114-V134 HydrophobicContact CE2-CG2 4.03Å; F114-V134 HydrophobicContact CZ-CG2 3.21Å; I131-V134 HydrophobicContact CB-CB 4.03Å; I131-V134 HydrophobicContact CB-CG2 3.83Å; I131-V134 HydrophobicContact CG2-CB 4.25Å; I131-V134 HydrophobicContact CG2-CG2 3.51Å; I131-V134 PolarHBondContact O-N 3.03Å; I131-V134 VanDerWaalsContact O-N 3.07Å; P132-V134 VanDerWaalsContact C-N 3.34Å; V134-S138 WeakPolarHBondContact CG1-OG 2.86Å; V134-L139 HydrophobicContact CG1-CD1 4.15Å; V134-L139 HydrophobicContact CG1-CD2 4.46Å; V134-L139 HydrophobicContact CG1-CG 4.01Å |
| 135 | L | 74.9 | Confident | 74.2 | Confident | 142 Ų | 142 | 93.2 Ų | 93.2 | 74% | 0.743 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 143.8 | 176.5 | -65.8 | 175.1 | 0 | 0 | 0 | 110.8 | G137 S138 | L135-G137 PolarHBondContact O-N 2.95Å; L135-S138 VanDerWaalsContact O-CB 3.24Å; L135-S138 WeakPolarHBondContact O-CB 3.05Å; L135-S138 PolarHBondContact O-N 2.99Å; L135-S138 PolarHBondContact O-OG 3.07Å |
| 136 | Q | 76.5 | Confident | 73.8 | Confident | 205 Ų | 205 | 93.1 Ų | 93.1 | 96% | 0.958 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 130.5 | 174.4 | -170.6 | 178.3 | 12.1 | 0 | 0 | 110.4 | S138 | Q136-S138 PolarHBondContact O-N 3.09Š|
| 137 | G | 77 | Confident | 73.3 | Confident | 75 Ų | 75 | 89.7 Ų | 89.7 | 77% | 0.773 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 3.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L135 L139 | L135-G137 PolarHBondContact O-N 2.95Å; G137-L139 VanDerWaalsContact C-N 3.27Å |
| 138 | S | 77.5 | Confident | 73.2 | Confident | 65 Ų | 65 | 91.1 Ų | 91.1 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | | | trans | -70.8 | -25.2 | 173.8 | 62.4 | 0 | 0 | 0 | 0 | 113.2 | V134 L135 Q136 | V134-S138 WeakPolarHBondContact CG1-OG 2.86Å; L135-S138 VanDerWaalsContact O-CB 3.24Å; L135-S138 WeakPolarHBondContact O-CB 3.05Å; L135-S138 PolarHBondContact O-N 2.99Å; L135-S138 PolarHBondContact O-OG 3.07Å; Q136-S138 PolarHBondContact O-N 3.09Å |
| 139 | L | 72.6 | Confident | 72.6 | Confident | 89 Ų | 89 | 91.8 Ų | 91.8 | 47% | 0.466 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -89.2 | 128 | 175.7 | -59.7 | 178.3 | 0 | 0 | 0 | 110.1 | V134 G137 D143 M145 | V134-L139 HydrophobicContact CG1-CD1 4.15Å; V134-L139 HydrophobicContact CG1-CD2 4.46Å; V134-L139 HydrophobicContact CG1-CG 4.01Å; G137-L139 VanDerWaalsContact C-N 3.27Å; L139-D143 WeakPolarHBondContact CA-OD2 3.41Å; L139-M145 HydrophobicContact CD1-CE 3.95Å |
| 140 | K | 79.2 | Confident | 72.3 | Confident | 144 Ų | 144 | 92.3 Ų | 92.3 | 63% | 0.626 | 54% | 0.537 | S | S | * | . | | | trans | -80.6 | 152.1 | 169.8 | -63.5 | -179 | -179.9 | 179.4 | 0 | 109.6 | T142 D143 | K140-T142 PolarHBondContact O-N 3.44Å; K140-D143 PolarHBondContact N-OD2 2.86Å; K140-D143 VanDerWaalsContact O-CB 3.31Å; K140-D143 WeakPolarHBondContact O-CB 3.48Å; K140-D143 PolarHBondContact O-N 3.4Å |
| 141 | P | 71.5 | Confident | 72.1 | Confident | 140 Ų | 140 | 93.4 Ų | 93.4 | 91% | 0.909 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -23.3 | 172.9 | -25.7 | 34.9 | 0 | 0 | 0 | 114.2 | D143 | P141-D143 VanDerWaalsContact C-N 3.31Š|
| 142 | T | 74.8 | Confident | 71.9 | Confident | 118 Ų | 118 | 97.1 Ų | 97.1 | 72% | 0.724 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -9.8 | 177 | 53.5 | 0 | 0 | 0 | 0 | 113.6 | K140 | K140-T142 PolarHBondContact O-N 3.44Š|
| 143 | D | 73.6 | Confident | 71.5 | Confident | 63 Ų | 63 | 96.5 Ų | 96.5 | 34% | 0.337 | 57% | 0.569 | S | S | . | * | | | trans | -75.3 | 136.7 | -177.9 | -63.7 | -17.9 | 0 | 0 | 0 | 110 | L139 K140 P141 | L139-D143 WeakPolarHBondContact CA-OD2 3.41Å; K140-D143 PolarHBondContact N-OD2 2.86Å; K140-D143 VanDerWaalsContact O-CB 3.31Å; K140-D143 WeakPolarHBondContact O-CB 3.48Å; K140-D143 PolarHBondContact O-N 3.4Å; P141-D143 VanDerWaalsContact C-N 3.31Å |
| 144 | S | 72.7 | Confident | 71.1 | Confident | 53 Ų | 53 | 97.4 Ų | 97.4 | 37% | 0.371 | 56% | 0.559 | S | S | . | * | | | trans | -90.8 | 136.1 | 176.2 | 52.2 | 0 | 0 | 0 | 0 | 111.3 | K297 | S144-K297 PolarHBondContact OG-N 3.29Å; S144-K297 PolarHBondContact OG-O 3.06Å |
| 145 | M | 68 | Low | 70.4 | Confident | 89 Ų | 89 | 102.6 Ų | 102.6 | 44% | 0.438 | 58% | 0.581 | S | S | . | * | | | trans | -120 | 128.4 | 173.1 | -174.7 | -175.2 | -63.4 | 0 | 0 | 108.8 | I131 L139 V147 | I131-M145 HydrophobicContact CD1-CE 3.51Å; I131-M145 HydrophobicContact CD1-SD 4.26Å; L139-M145 HydrophobicContact CD1-CE 3.95Å; M145-V147 HydrophobicContact CG-CG2 4.27Å; M145-V147 HydrophobicContact SD-CG2 4.26Å |
| 146 | I | 66.9 | Low | 69.4 | Low | 83 Ų | 83 | 103.4 Ų | 103.4 | 43% | 0.426 | 58% | 0.58 | S | S | . | * | | | trans | -104.9 | 141.4 | 167.9 | -65.4 | 170.3 | 0 | 0 | 0 | 107.3 | G294 H295 | I146-G294 WeakPolarHBondContact O-CA 3.36Å; I146-H295 WeakPolarHBondContact CB-O 3.22Å; I146-H295 HydrophobicContact CD1-CB 4.31Å; I146-H295 VanDerWaalsContact CD1-O 3.24Å; I146-H295 WeakPolarHBondContact CD1-O 3.2Å; I146-H295 WeakPolarHBondContact CG1-O 3.29Å; I146-H295 PolarHBondContact N-O 3.49Å |
| 147 | V | 66.6 | Low | 68.4 | Low | 66 Ų | 66 | 101.7 Ų | 101.7 | 40% | 0.4 | 57% | 0.57 | S | S | . | * | | | trans | -122.5 | 112.8 | 179.1 | 179.1 | 0 | 0 | 0 | 0 | 107.1 | I117 M145 I149 I292 | I117-V147 HydrophobicContact CD1-CG2 4.21Å; M145-V147 HydrophobicContact CG-CG2 4.27Å; M145-V147 HydrophobicContact SD-CG2 4.26Å; V147-I149 HydrophobicContact CG1-CG1 4.21Å; V147-I292 HydrophobicContact CB-CG2 4.39Å; V147-I292 HydrophobicContact CG1-CG2 3.44Å; V147-I292 VanDerWaalsContact CG1-CG2 3.44Å |
| 148 | K | 67.6 | Low | 66.6 | Low | 93 Ų | 93 | 105.4 Ų | 105.4 | 40% | 0.404 | 57% | 0.567 | S | S | . | * | | | trans | -94 | 123 | 172.6 | -67.4 | 169.5 | 174.3 | 174.2 | 0 | 109.2 | I292 S293 H295 | K148-I292 WeakPolarHBondContact O-CA 3.31Å; K148-I292 WeakPolarHBondContact O-CG2 3.49Å; K148-S293 WeakPolarHBondContact CB-O 2.72Å; K148-S293 WeakPolarHBondContact CD-O 3.42Å; K148-S293 WeakPolarHBondContact CG-O 2.8Å; K148-S293 PolarHBondContact N-O 3.46Å; K148-H295 PolarHBondContact NZ-CD2 3.44Å; K148-H295 PolarHBondContact NZ-NE2 3.3Å |
| 149 | I | 65.3 | Low | 64.8 | Low | 117 Ų | 117 | 109.6 Ų | 109.6 | 60% | 0.6 | 58% | 0.583 | S | S | * | * | | | trans | -107.6 | 115.6 | 173.5 | -57.7 | 171.4 | 0 | 0 | 0 | 107.1 | V147 V151 | V147-I149 HydrophobicContact CG1-CG1 4.21Å; I149-V151 HydrophobicContact CG2-CG2 4.22Å; I149-V151 PolarHBondContact O-N 3.07Å |
| 150 | N | 67.9 | Low | 63.2 | Low | 99 Ų | 99 | 110.4 Ų | 110.4 | 53% | 0.529 | 60% | 0.597 | S | S | . | * | | | trans | -77.3 | 100.9 | 171.1 | -66.3 | -27 | 0 | 0 | 0 | 108.2 | P290 V291 | N150-P290 HydrophobicContact CB-CB 3.91Å; N150-P290 VanDerWaalsContact O-CB 3.24Å; N150-P290 WeakPolarHBondContact O-CB 3.49Å; N150-V291 PolarHBondContact ND2-O 3.15Å |
| 151 | V | 69.6 | Low | 61.2 | Low | 117 Ų | 117 | 112.4 Ų | 112.4 | 71% | 0.709 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -82 | 129.6 | 170.4 | -173.5 | 0 | 0 | 0 | 0 | 107.6 | I149 S153 | I149-V151 HydrophobicContact CG2-CG2 4.22Å; I149-V151 PolarHBondContact O-N 3.07Å; V151-S153 PolarHBondContact O-N 3.28Å |
| 152 | P | 68.5 | Low | 59.7 | Low | 91 Ų | 91 | 111.6 Ų | 111.6 | 59% | 0.591 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 133.3 | 174 | 22.6 | -31 | 0 | 0 | 0 | 110.1 | | |
| 153 | S | 63.4 | Low | 57.7 | Low | 48 Ų | 48 | 116.2 Ų | 116.2 | 34% | 0.336 | 61% | 0.606 | S | S | . | * | P | Polyproline II helix | trans | -57.1 | 136.3 | 174.4 | 168.6 | 0 | 0 | 0 | 0 | 110.1 | V151 E155 H156 | V151-S153 PolarHBondContact O-N 3.28Å; S153-E155 PolarHBondContact O-N 2.8Å; S153-E155 WeakPolarHBondContact OG-CG 3.36Å; S153-E155 PolarHBondContact OG-N 3.32Å; S153-H156 PolarHBondContact O-N 3.39Å |
| 154 | P | 64.4 | Low | 55.9 | Low | 105 Ų | 105 | 120.6 Ų | 120.6 | 68% | 0.682 | 63% | 0.629 | S | S | * | * | G | 310 helix | trans | -57 | -18.9 | 176.8 | -22.8 | 31.9 | 0 | 0 | 0 | 114.3 | H156 F157 | P154-H156 PolarHBondContact O-N 3.41Å; P154-F157 PolarHBondContact O-N 2.78Å |
| 155 | E | 60.6 | Low | 53.9 | Low | 153 Ų | 153 | 126.7 Ų | 126.7 | 72% | 0.715 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -61 | -17 | -179.4 | -65.1 | 170.9 | 178.3 | 0 | 0 | 113.1 | S153 H158 | S153-E155 PolarHBondContact O-N 2.8Å; S153-E155 WeakPolarHBondContact OG-CG 3.36Å; S153-E155 PolarHBondContact OG-N 3.32Å; E155-H158 PolarHBondContact O-CD2 3.09Å |
| 156 | H | 54.2 | Low | 52.5 | Low | 159 Ų | 159 | 126.5 Ų | 126.5 | 74% | 0.736 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -86.3 | 0.7 | 174.1 | -66.4 | -59.7 | 0 | 0 | 0 | 114.7 | S153 P154 H158 | S153-H156 PolarHBondContact O-N 3.39Å; P154-H156 PolarHBondContact O-N 3.41Å; H156-H158 VanDerWaalsContact C-N 3.33Å; H156-H158 PolarHBondContact O-N 3.26Å |
| 157 | F | 53.7 | Low | 50.9 | Low | 168 Ų | 168 | 128.4 Ų | 128.4 | 74% | 0.737 | 68% | 0.68 | S | S | * | * | | | trans | -96.3 | 50.4 | 169.9 | -63.7 | -80.2 | 0 | 0 | 0 | 111.5 | P154 | P154-F157 PolarHBondContact O-N 2.78Š|
| 158 | H | 40.3 | Very low | 49.3 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 71% | 0.708 | 69% | 0.692 | S | S | * | * | | | trans | -89.2 | 121.8 | 166 | -95.7 | -89.8 | 0 | 0 | 0 | 109.3 | E155 H156 | E155-H158 PolarHBondContact O-CD2 3.09Å; H156-H158 VanDerWaalsContact C-N 3.33Å; H156-H158 PolarHBondContact O-N 3.26Å |
| 159 | L | 40.2 | Very low | 47.7 | Very low | 153 Ų | 153 | 128 Ų | 128 | 80% | 0.801 | 67% | 0.674 | S | S | * | * | | | trans | 82 | 99.6 | 159.6 | -48 | 169.9 | 0 | 0 | 0 | 116.1 | | |
| 160 | S | 38.2 | Very low | 46.2 | Very low | 107 Ų | 107 | 126.8 Ų | 126.8 | 75% | 0.748 | 67% | 0.668 | S | S | * | * | | | | 162.4 | 113.3 | 108.7 | -74 | 0 | 0 | 0 | 0 | 107.3 | | |
| 161 | E | 37.9 | Very low | 44.5 | Very low | 185 Ų | 185 | 125 Ų | 125 | 86% | 0.864 | 66% | 0.664 | S | S | * | * | | | trans | 160.7 | 102.2 | 145.2 | -88.3 | 166.1 | -164.3 | 0 | 0 | 107.8 | | |
| 162 | V | 40.3 | Very low | 43.1 | Very low | 123 Ų | 123 | 123.5 Ų | 123.5 | 75% | 0.745 | 66% | 0.656 | S | S | * | * | | | | 107.6 | 106.7 | 71.4 | 156.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 163 | Y | 32.4 | Very low | 41.3 | Very low | 215 Ų | 215 | 128.7 Ų | 128.7 | 84% | 0.843 | 67% | 0.673 | S | S | * | * | | | trans | 37.9 | 116.7 | 143.5 | -77.5 | -94 | 0 | 0 | 0 | 120.2 | Q165 | Y163-Q165 PolarHBondContact O-N 3.13Š|
| 164 | D | 35.4 | Very low | 39.9 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 83% | 0.834 | 69% | 0.692 | S | S | * | * | | | trans | -27.6 | 122.6 | 145.7 | -75.8 | -53.5 | 0 | 0 | 0 | 114.1 | | |
| 165 | Q | 31.7 | Very low | 38.3 | Very low | 181 Ų | 181 | 137.2 Ų | 137.2 | 85% | 0.846 | 71% | 0.706 | S | S | * | * | | | trans | -155.8 | 100.7 | 144.9 | -117 | 167.5 | 66.1 | 0 | 0 | 112.7 | Y163 | Y163-Q165 PolarHBondContact O-N 3.13Š|
| 166 | S | 36.7 | Very low | 36.9 | Very low | 84 Ų | 84 | 132.5 Ų | 132.5 | 59% | 0.587 | 70% | 0.699 | S | S | * | * | | | trans | 56.5 | 109.6 | 136.1 | 63.1 | 0 | 0 | 0 | 0 | 120.2 | F168 | S166-F168 PolarHBondContact O-N 2.97Š|
| 167 | S | 34.3 | Very low | 35.9 | Very low | 123 Ų | 123 | 132 Ų | 132 | 86% | 0.86 | 71% | 0.707 | S | S | * | * | | | trans | -38.6 | 113.6 | 146.6 | -62.4 | 0 | 0 | 0 | 0 | 113 | | |
| 168 | F | 32.5 | Very low | 34.9 | Very low | 150 Ų | 150 | 129.5 Ų | 129.5 | 66% | 0.658 | 71% | 0.71 | S | S | * | * | B | Isolated β-bridge | trans | -108.8 | 138 | 147.8 | -92.9 | -92.6 | 0 | 0 | 0 | 107 | S166 T183 | S166-F168 PolarHBondContact O-N 2.97Å; F168-T183 VanDerWaalsContact C-OG1 3.23Å; F168-T183 CarbonylContact O-C 3.43Å; F168-T183 WeakPolarHBondContact O-CA 3.42Å; F168-T183 WeakPolarHBondContact O-CB 3.5Å; F168-T183 PolarHBondContact O-N 2.85Å; F168-T183 PolarHBondContact O-OG1 2.83Å |
| 169 | G | 34.4 | Very low | 34.4 | Very low | 2 Ų | 2 | 131.4 Ų | 131.4 | 2% | 0.021 | 72% | 0.72 | C | S | . | * | | | trans | 157.6 | 72.4 | 147 | 0 | 0 | 0 | 0 | 0 | 123 | R181 E182 T183 | G169-R181 CarbonylContact C-O 2.69Å; G169-R181 WeakPolarHBondContact CA-O 3.46Å; G169-R181 PolarHBondContact N-O 3Å; G169-R181 VanDerWaalsContact N-O 3.15Å; G169-R181 CarbonylContact O-C 2.76Å; G169-R181 WeakPolarHBondContact O-CA 3.17Å; G169-R181 WeakPolarHBondContact O-CB 3.46Å; G169-E182 CarbonylContact O-C 2.87Å; G169-E182 PolarHBondContact O-N 3.35Å; G169-T183 VanDerWaalsContact CA-N 3.31Å; G169-T183 WeakPolarHBondContact CA-OG1 3.2Å; G169-T183 PolarHBondContact O-N 3.21Å |
| 170 | N | 33.7 | Very low | 33.9 | Very low | 90 Ų | 90 | 128.3 Ų | 128.3 | 48% | 0.481 | 70% | 0.704 | S | S | . | * | | | | 76.5 | 68.2 | 125.8 | -55.2 | -21.5 | 0 | 0 | 0 | 122.6 | N180 R181 T183 | N170-N180 WeakPolarHBondContact CA-OD1 3.13Å; N170-N180 PolarHBondContact N-OD1 2.92Å; N170-R181 VanDerWaalsContact C-CD 3.4Å; N170-R181 PolarHBondContact N-O 3.02Å; N170-R181 WeakPolarHBondContact O-CD 3.42Å; N170-R181 PolarHBondContact O-NH1 3.03Å; N170-T183 HydrophobicContact CB-CG2 4.38Å |
| 171 | S | 32.2 | Very low | 33.6 | Very low | 62 Ų | 62 | 129.1 Ų | 129.1 | 43% | 0.434 | 69% | 0.69 | S | S | . | * | | | trans | -114.3 | 138.2 | 166.1 | -150.3 | 0 | 0 | 0 | 0 | 112.1 | N180 R181 | S171-N180 PolarHBondContact N-OD1 3.33Å; S171-R181 VanDerWaalsContact CA-CD 3.49Å; S171-R181 WeakPolarHBondContact OG-CG 3.08Å |
| 172 | P | 41.3 | Very low | 33.3 | Very low | 85 Ų | 85 | 128.6 Ų | 128.6 | 55% | 0.552 | 69% | 0.688 | S | S | * | * | | | trans | -86.9 | 147.8 | -155.1 | 34.6 | -30.5 | 0 | 0 | 0 | 112.3 | T174 | P172-T174 PolarHBondContact O-N 2.75Å; P172-T174 VanDerWaalsContact O-N 3.09Å |
| 173 | Q | 28.8 | Very low | 33.2 | Very low | 201 Ų | 201 | 125.4 Ų | 125.4 | 94% | 0.939 | 67% | 0.669 | S | S | * | * | | | trans | 6.4 | 88.2 | 156.1 | -71.3 | -178.6 | -33.1 | 0 | 0 | 115.6 | | |
| 174 | T | 35.3 | Very low | 33.5 | Very low | 121 Ų | 121 | 120.9 Ų | 120.9 | 74% | 0.742 | 67% | 0.668 | S | S | * | * | | | trans | -125.2 | 128.6 | 143.8 | -41.4 | 0 | 0 | 0 | 0 | 105.1 | P172 G176 | P172-T174 PolarHBondContact O-N 2.75Å; P172-T174 VanDerWaalsContact O-N 3.09Å; T174-G176 PolarHBondContact O-N 3.24Å |
| 175 | E | 31.5 | Very low | 33.6 | Very low | 210 Ų | 210 | 119 Ų | 119 | 98% | 0.981 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -59.1 | 91.4 | 170.8 | -70.3 | 176.7 | 154.6 | 0 | 0 | 108.1 | | |
| 176 | G | 29.6 | Very low | 34 | Very low | 54 Ų | 54 | 115.9 Ų | 115.9 | 56% | 0.557 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -176.3 | 92.2 | -168.6 | 0 | 0 | 0 | 0 | 0 | 105 | T174 S178 | T174-G176 PolarHBondContact O-N 3.24Å; G176-S178 PolarHBondContact O-N 2.99Å |
| 177 | V | 33.2 | Very low | 34 | Very low | 149 Ų | 149 | 117.1 Ų | 117.1 | 90% | 0.903 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -46 | 95.2 | -179 | 177.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 178 | S | 34 | Very low | 34.2 | Very low | 116 Ų | 116 | 116.6 Ų | 116.6 | 81% | 0.811 | 66% | 0.656 | S | S | * | * | | | trans | 177.6 | 121.4 | 157.4 | -75.5 | 0 | 0 | 0 | 0 | 109.6 | G176 | G176-S178 PolarHBondContact O-N 2.99Š|
| 179 | Q | 29.5 | Very low | 34.6 | Very low | 193 Ų | 193 | 112.8 Ų | 112.8 | 90% | 0.902 | 65% | 0.648 | S | S | * | * | | | trans | -77.8 | 138.6 | -168.1 | -64 | 164.1 | -20.6 | 0 | 0 | 113 | | |
| 180 | N | 29.7 | Very low | 35.1 | Very low | 87 Ų | 87 | 123.6 Ų | 123.6 | 47% | 0.465 | 69% | 0.688 | S | S | . | * | | | trans | 61.9 | 124.2 | 147.9 | -88.3 | -8.7 | 0 | 0 | 0 | 122.5 | N170 S171 | N170-N180 WeakPolarHBondContact CA-OD1 3.13Å; N170-N180 PolarHBondContact N-OD1 2.92Å; S171-N180 PolarHBondContact N-OD1 3.33Å |
| 181 | R | 30.9 | Very low | 35.7 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 47% | 0.472 | 71% | 0.705 | S | S | . | * | | | trans | -45.4 | 166.8 | 155 | -99.3 | 154.8 | 174.9 | 160.5 | -4.5 | 109.5 | G169 N170 S171 | G169-R181 CarbonylContact C-O 2.69Å; G169-R181 WeakPolarHBondContact CA-O 3.46Å; G169-R181 PolarHBondContact N-O 3Å; G169-R181 VanDerWaalsContact N-O 3.15Å; G169-R181 CarbonylContact O-C 2.76Å; G169-R181 WeakPolarHBondContact O-CA 3.17Å; G169-R181 WeakPolarHBondContact O-CB 3.46Å; N170-R181 VanDerWaalsContact C-CD 3.4Å; N170-R181 PolarHBondContact N-O 3.02Å; N170-R181 WeakPolarHBondContact O-CD 3.42Å; N170-R181 PolarHBondContact O-NH1 3.03Å; S171-R181 VanDerWaalsContact CA-CD 3.49Å; S171-R181 WeakPolarHBondContact OG-CG 3.08Å |
| 182 | E | 32.9 | Very low | 36 | Very low | 174 Ų | 174 | 129 Ų | 129 | 81% | 0.813 | 72% | 0.715 | S | S | * | * | | | | 51.1 | 66.2 | 69.7 | -43 | 175.1 | 160 | 0 | 0 | 117.8 | G169 | G169-E182 CarbonylContact O-C 2.87Å; G169-E182 PolarHBondContact O-N 3.35Å |
| 183 | T | 37.5 | Very low | 35.9 | Very low | 55 Ų | 55 | 130.8 Ų | 130.8 | 34% | 0.337 | 72% | 0.724 | S | S | . | * | B | Isolated β-bridge | trans | -125.5 | 90.2 | 145.5 | 57.5 | 0 | 0 | 0 | 0 | 108.9 | F168 G169 N170 T185 | F168-T183 VanDerWaalsContact C-OG1 3.23Å; F168-T183 CarbonylContact O-C 3.43Å; F168-T183 WeakPolarHBondContact O-CA 3.42Å; F168-T183 WeakPolarHBondContact O-CB 3.5Å; F168-T183 PolarHBondContact O-N 2.85Å; F168-T183 PolarHBondContact O-OG1 2.83Å; G169-T183 VanDerWaalsContact CA-N 3.31Å; G169-T183 WeakPolarHBondContact CA-OG1 3.2Å; G169-T183 PolarHBondContact O-N 3.21Å; N170-T183 HydrophobicContact CB-CG2 4.38Å; T183-T185 PolarHBondContact O-N 3.35Å; T183-T185 VanDerWaalsContact O-N 3.09Å |
| 184 | S | 38.8 | Very low | 36.5 | Very low | 120 Ų | 120 | 127 Ų | 127 | 84% | 0.839 | 72% | 0.72 | S | S | * | * | | | trans | -73.4 | 84.4 | 150.4 | -174.4 | 0 | 0 | 0 | 0 | 106.7 | V186 | S184-V186 PolarHBondContact O-N 2.78Å; S184-V186 VanDerWaalsContact O-N 3.16Å |
| 185 | T | 37.1 | Very low | 37 | Very low | 118 Ų | 118 | 125.3 Ų | 125.3 | 72% | 0.724 | 71% | 0.712 | S | S | * | * | | | trans | -72.5 | 105 | 164 | 40.5 | 0 | 0 | 0 | 0 | 107.4 | T183 S187 | T183-T185 PolarHBondContact O-N 3.35Å; T183-T185 VanDerWaalsContact O-N 3.09Å; T185-S187 PolarHBondContact O-N 3.26Å |
| 186 | V | 40.2 | Very low | 37.4 | Very low | 114 Ų | 114 | 124.2 Ų | 124.2 | 69% | 0.691 | 71% | 0.705 | S | S | * | * | | | trans | -35.7 | 100.5 | 165.9 | -176.4 | 0 | 0 | 0 | 0 | 110.4 | S184 T188 | S184-V186 PolarHBondContact O-N 2.78Å; S184-V186 VanDerWaalsContact O-N 3.16Å; V186-T188 PolarHBondContact O-N 3.31Å; V186-T188 PolarHBondContact O-OG1 3.37Å |
| 187 | S | 36.6 | Very low | 37.9 | Very low | 110 Ų | 110 | 130 Ų | 130 | 77% | 0.769 | 72% | 0.717 | S | S | * | * | | | trans | -64.3 | 96.8 | 158 | -179.1 | 0 | 0 | 0 | 0 | 106.1 | T185 S189 | T185-S187 PolarHBondContact O-N 3.26Å; S187-S189 PolarHBondContact O-N 3.08Å |
| 188 | T | 39.4 | Very low | 38.1 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 69% | 0.687 | 71% | 0.71 | S | S | * | * | | | trans | -75.6 | 72.7 | 176.8 | -50 | 0 | 0 | 0 | 0 | 107.5 | V186 R190 | V186-T188 PolarHBondContact O-N 3.31Å; V186-T188 PolarHBondContact O-OG1 3.37Å; T188-R190 PolarHBondContact O-N 2.86Å |
| 189 | S | 39.1 | Very low | 38.1 | Very low | 71 Ų | 71 | 131.7 Ų | 131.7 | 50% | 0.497 | 71% | 0.707 | S | S | . | * | | | trans | -74.3 | 114.6 | 163.6 | -178.9 | 0 | 0 | 0 | 0 | 107.5 | S187 F191 A192 | S187-S189 PolarHBondContact O-N 3.08Å; S189-F191 PolarHBondContact O-N 3.13Å; S189-A192 PolarHBondContact O-N 3.13Å |
| 190 | R | 45.4 | Very low | 38.2 | Very low | 228 Ų | 228 | 127.3 Ų | 127.3 | 86% | 0.86 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | 1.7 | -174.3 | -61.8 | -173 | -85.1 | -140.3 | -1.8 | 114.8 | T188 | T188-R190 PolarHBondContact O-N 2.86Š|
| 191 | F | 47.7 | Very low | 38.5 | Very low | 189 Ų | 189 | 131.9 Ų | 131.9 | 83% | 0.829 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.3 | 1.8 | -178.4 | -64.4 | -69.6 | 0 | 0 | 0 | 114.6 | S189 T193 | S189-F191 PolarHBondContact O-N 3.13Å; F191-T193 PolarHBondContact O-N 3.48Å |
| 192 | A | 37.8 | Very low | 38.5 | Very low | 78 Ų | 78 | 134.3 Ų | 134.3 | 65% | 0.645 | 73% | 0.728 | S | S | * | * | | | trans | -98.8 | 84.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.1 | S189 S194 | S189-A192 PolarHBondContact O-N 3.13Å; A192-S194 PolarHBondContact O-N 3.24Å; A192-S194 VanDerWaalsContact O-N 3.15Å |
| 193 | T | 39.4 | Very low | 38.3 | Very low | 121 Ų | 121 | 134.1 Ų | 134.1 | 74% | 0.742 | 73% | 0.729 | S | S | * | * | | | trans | -65.9 | 107.7 | 161.2 | 47.8 | 0 | 0 | 0 | 0 | 108.2 | F191 C195 | F191-T193 PolarHBondContact O-N 3.48Å; T193-C195 PolarHBondContact O-N 2.85Å; T193-C195 VanDerWaalsContact O-N 3.07Å; T193-C195 PolarHBondContact O-SG 3.25Å; T193-C195 VanDerWaalsContact O-SG 3.35Å |
| 194 | S | 41.6 | Very low | 38.1 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | | | trans | -74.8 | 85.2 | 169.6 | 58.2 | 0 | 0 | 0 | 0 | 109.2 | A192 | A192-S194 PolarHBondContact O-N 3.24Å; A192-S194 VanDerWaalsContact O-N 3.15Å |
| 195 | C | 45.6 | Very low | 37.8 | Very low | 87 Ų | 87 | 140.8 Ų | 140.8 | 59% | 0.588 | 76% | 0.76 | S | S | * | * | | | trans | -92.7 | 8.5 | 179.1 | -19 | 0 | 0 | 0 | 0 | 114.2 | T193 | T193-C195 PolarHBondContact O-N 2.85Å; T193-C195 VanDerWaalsContact O-N 3.07Å; T193-C195 PolarHBondContact O-SG 3.25Å; T193-C195 VanDerWaalsContact O-SG 3.35Å |
| 196 | F | 40 | Very low | 37.4 | Very low | 187 Ų | 187 | 137.8 Ų | 137.8 | 82% | 0.82 | 75% | 0.753 | S | S | * | * | | | trans | -132.1 | 67.1 | -175.4 | -67.7 | -76.8 | 0 | 0 | 0 | 111.8 | Q198 | F196-Q198 PolarHBondContact O-N 3.27Š|
| 197 | E | 39.5 | Very low | 37 | Very low | 176 Ų | 176 | 141.3 Ų | 141.3 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | | | trans | -81.1 | 82.3 | 154 | -136 | -177.7 | -173.5 | 0 | 0 | 107.2 | N199 | E197-N199 PolarHBondContact O-N 2.88Š|
| 198 | Q | 36.3 | Very low | 37 | Very low | 162 Ų | 162 | 146.3 Ų | 146.3 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | | | trans | -80.7 | 75.1 | 175.4 | -157 | 174.3 | 5.1 | 0 | 0 | 108.2 | F196 T200 | F196-Q198 PolarHBondContact O-N 3.27Å; Q198-T200 PolarHBondContact O-N 2.9Å |
| 199 | N | 35.1 | Very low | 36.9 | Very low | 138 Ų | 138 | 146.6 Ų | 146.6 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | | | trans | -73.8 | 81.9 | 171.6 | -115.4 | -39 | 0 | 0 | 0 | 108.9 | E197 H201 | E197-N199 PolarHBondContact O-N 2.88Å; N199-H201 PolarHBondContact O-N 3.17Å; N199-H201 VanDerWaalsContact O-N 3.16Å |
| 200 | T | 31.4 | Very low | 36.8 | Very low | 101 Ų | 101 | 149.9 Ų | 149.9 | 62% | 0.62 | 79% | 0.789 | S | S | * | * | | | trans | -70.6 | 97.5 | 159.4 | 37.3 | 0 | 0 | 0 | 0 | 107.5 | Q198 | Q198-T200 PolarHBondContact O-N 2.9Š|
| 201 | H | 36.7 | Very low | 36.2 | Very low | 183 Ų | 183 | 145 Ų | 145 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | | | trans | -166 | 113.7 | 133.8 | -83.4 | -55.4 | 0 | 0 | 0 | 108.2 | N199 | N199-H201 PolarHBondContact O-N 3.17Å; N199-H201 VanDerWaalsContact O-N 3.16Å |
| 202 | Q | 30 | Very low | 35.9 | Very low | 176 Ų | 176 | 143.8 Ų | 143.8 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | trans | -48.1 | 137.8 | 167.3 | -63.7 | 164.8 | 7.1 | 0 | 0 | 110.2 | | |
| 203 | M | 29.4 | Very low | 35.8 | Very low | 170 Ų | 170 | 145.3 Ų | 145.3 | 84% | 0.837 | 79% | 0.787 | S | S | * | * | | | | 167.1 | 147.4 | 113.2 | -83.4 | -168.1 | -163.4 | 0 | 0 | 110.2 | | |
| 204 | M | 33.8 | Very low | 35.4 | Very low | 182 Ų | 182 | 150 Ų | 150 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | | | trans | 88.9 | 84.6 | 173 | -58.1 | 176.1 | 70.6 | 0 | 0 | 117.5 | | |
| 205 | S | 30.8 | Very low | 35.1 | Very low | 132 Ų | 132 | 150.8 Ų | 150.8 | 92% | 0.923 | 79% | 0.792 | S | S | * | * | | | | 37.8 | 120.6 | 117.5 | -162.8 | 0 | 0 | 0 | 0 | 118.7 | | |
| 206 | G | 30.2 | Very low | 34.5 | Very low | 55 Ų | 55 | 150.5 Ų | 150.5 | 57% | 0.567 | 79% | 0.791 | S | S | * | * | | | trans | 147.6 | 103.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y208 | G206-Y208 PolarHBondContact O-N 3.39Š|
| 207 | H | 31.8 | Very low | 34.1 | Very low | 189 Ų | 189 | 148 Ų | 148 | 88% | 0.875 | 79% | 0.786 | S | S | * | * | | | trans | -50.3 | 119.9 | 170.4 | -60.9 | -88.9 | 0 | 0 | 0 | 113.3 | | |
| 208 | Y | 36 | Very low | 33.9 | Very low | 214 Ų | 214 | 147.4 Ų | 147.4 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | | | trans | -144 | 111.8 | 155.2 | -68.8 | -74.5 | 0 | 0 | 0 | 110.5 | G206 T210 | G206-Y208 PolarHBondContact O-N 3.39Å; Y208-T210 PolarHBondContact O-N 3.35Å |
| 209 | S | 38.3 | Very low | 33.6 | Very low | 118 Ų | 118 | 146.9 Ų | 146.9 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | trans | -59.5 | 112.6 | 166.5 | -58.7 | 0 | 0 | 0 | 0 | 109.9 | T211 | S209-T211 PolarHBondContact O-N 3.08Š|
| 210 | T | 35.8 | Very low | 33.5 | Very low | 141 Ų | 141 | 145.7 Ų | 145.7 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | | | trans | -84.4 | 88.8 | 173.7 | 31.9 | 0 | 0 | 0 | 0 | 110.2 | Y208 | Y208-T210 PolarHBondContact O-N 3.35Š|
| 211 | T | 32.6 | Very low | 33.3 | Very low | 126 Ų | 126 | 147 Ų | 147 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 128.9 | 162.5 | -16.9 | 0 | 0 | 0 | 0 | 108.8 | S209 | S209-T211 PolarHBondContact O-N 3.08Š|
| 212 | M | 42.9 | Very low | 33.2 | Very low | 162 Ų | 162 | 146.8 Ų | 146.8 | 80% | 0.798 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 138.1 | 177.1 | -68 | -71.1 | -76.6 | 0 | 0 | 110.9 | Y214 | M212-Y214 PolarHBondContact O-N 3.4Š|
| 213 | P | 34.7 | Very low | 33.2 | Very low | 111 Ų | 111 | 145.6 Ų | 145.6 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 118.2 | 179.1 | 28.2 | -31 | 0 | 0 | 0 | 110.1 | T215 | P213-T215 PolarHBondContact O-N 3.46Š|
| 214 | Y | 31.4 | Very low | 33.1 | Very low | 220 Ų | 220 | 142.1 Ų | 142.1 | 86% | 0.863 | 79% | 0.785 | S | S | * | * | | | trans | -63.6 | 115.2 | 162 | -83 | -98 | 0 | 0 | 0 | 108.5 | M212 | M212-Y214 PolarHBondContact O-N 3.4Š|
| 215 | T | 35.3 | Very low | 33 | Very low | 137 Ų | 137 | 141.1 Ų | 141.1 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | | | trans | -100.2 | 89 | 158.6 | 57.2 | 0 | 0 | 0 | 0 | 107.5 | P213 | P213-T215 PolarHBondContact O-N 3.46Š|
| 216 | S | 32.3 | Very low | 32.8 | Very low | 81 Ų | 81 | 141.9 Ų | 141.9 | 57% | 0.566 | 78% | 0.777 | S | S | * | * | | | trans | -75.7 | 153.4 | 154.9 | 50.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 217 | D | 30.9 | Very low | 32.9 | Very low | 133 Ų | 133 | 145 Ų | 145 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | 84 | 102.3 | 160.1 | -42.9 | -45.3 | 0 | 0 | 0 | 117.3 | | |
| 218 | I | 36 | Very low | 32.7 | Very low | 164 Ų | 164 | 142.9 Ų | 142.9 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | | | | -149.2 | 111.4 | 111.2 | -58.3 | -165.2 | 0 | 0 | 0 | 109.1 | | |
| 219 | L | 30.9 | Very low | 33.1 | Very low | 152 Ų | 152 | 138 Ų | 138 | 80% | 0.796 | 78% | 0.777 | S | S | * | * | | | trans | -63.9 | 132.4 | 160.6 | -75.8 | 119.4 | 0 | 0 | 0 | 110.7 | | |
| 220 | S | 31.4 | Very low | 32.7 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | | | trans | -141.7 | 98.6 | 147.5 | 49.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 221 | N | 28.2 | Very low | 32.5 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | | | trans | -2 | 113.4 | 151.1 | -64.4 | -32.5 | 0 | 0 | 0 | 117.1 | | |
| 222 | L | 34.9 | Very low | 32.4 | Very low | 178 Ų | 178 | 136 Ų | 136 | 93% | 0.932 | 76% | 0.764 | S | S | * | * | | | trans | -114.1 | 120.9 | 138.3 | -159.9 | 69.2 | 0 | 0 | 0 | 108.2 | | |
| 223 | H | 28.9 | Very low | 31.8 | Very low | 150 Ų | 150 | 138.3 Ų | 138.3 | 69% | 0.694 | 77% | 0.765 | S | S | * | * | | | trans | -69.8 | 150.6 | -170 | -79.3 | 70.4 | 0 | 0 | 0 | 113.3 | | |
| 224 | S | 28.1 | Very low | 31.6 | Very low | 97 Ų | 97 | 140.9 Ų | 140.9 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | | | trans | 59.7 | 103.4 | 141.3 | 56.6 | 0 | 0 | 0 | 0 | 118.9 | | |
| 225 | N | 31.3 | Very low | 31.8 | Very low | 162 Ų | 162 | 138.5 Ų | 138.5 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | | | | -163.4 | 108.6 | 100.6 | -89.1 | -32.1 | 0 | 0 | 0 | 109.5 | | |
| 226 | N | 27.9 | Very low | 31.5 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | trans | -109.2 | 103.9 | 179.9 | -164.1 | 27.5 | 0 | 0 | 0 | 106.8 | N228 | N226-N228 PolarHBondContact O-N 2.99Š|
| 227 | P | 31.5 | Very low | 31.3 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | | | trans | -79.7 | 115.5 | 162 | 8.1 | 8.3 | 0 | 0 | 0 | 108.2 | | |
| 228 | N | 28.1 | Very low | 31.5 | Very low | 144 Ų | 144 | 139.7 Ų | 139.7 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | | | trans | -63.5 | 160.2 | 174.7 | -138.5 | 9.8 | 0 | 0 | 0 | 111.2 | N226 | N226-N228 PolarHBondContact O-N 2.99Š|
| 229 | P | 43.6 | Very low | 31.4 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | | | trans | -99 | 142.2 | -163.9 | 37.8 | -32 | 0 | 0 | 0 | 113.1 | | |
| 230 | S | 30.8 | Very low | 31.7 | Very low | 101 Ų | 101 | 137.7 Ų | 137.7 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | trans | -164.4 | 106 | 157.9 | 46.5 | 0 | 0 | 0 | 0 | 107.3 | | |
| 231 | D | 30.3 | Very low | 31.9 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | | | trans | 170 | 91.6 | 131.7 | -77.1 | -17.1 | 0 | 0 | 0 | 109.7 | Y233 | D231-Y233 PolarHBondContact O-N 2.85Š|
| 232 | S | 30.9 | Very low | 32.5 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | | | trans | -60.2 | 113.1 | 165.3 | 41.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 233 | Y | 31.5 | Very low | 32.8 | Very low | 209 Ų | 209 | 136.8 Ų | 136.8 | 82% | 0.82 | 76% | 0.759 | S | S | * | * | | | trans | -97 | 100.5 | 155.2 | -68.7 | -80.7 | 0 | 0 | 0 | 108.7 | D231 L235 | D231-Y233 PolarHBondContact O-N 2.85Å; Y233-L235 PolarHBondContact O-N 3.34Å |
| 234 | Q | 28.6 | Very low | 33.2 | Very low | 166 Ų | 166 | 135.5 Ų | 135.5 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | | | trans | -67.1 | 113.7 | 163.8 | -70.5 | -179 | -10.3 | 0 | 0 | 108.5 | | |
| 235 | L | 36.7 | Very low | 33.8 | Very low | 170 Ų | 170 | 134.4 Ų | 134.4 | 89% | 0.89 | 75% | 0.754 | S | S | * | * | | | trans | -110.5 | 111.2 | 157.3 | -74.8 | 174.8 | 0 | 0 | 0 | 108 | Y233 | Y233-L235 PolarHBondContact O-N 3.34Š|
| 236 | N | 28.4 | Very low | 34 | Very low | 139 Ų | 139 | 132.9 Ų | 132.9 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | | | trans | -71.2 | 154.3 | 176.1 | -83.5 | -23.7 | 0 | 0 | 0 | 112.2 | | |
| 237 | S | 29.1 | Very low | 34.5 | Very low | 112 Ų | 112 | 133 Ų | 133 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | | | trans | 76.3 | 132.4 | 159.8 | -59.6 | 0 | 0 | 0 | 0 | 116.1 | | |
| 238 | T | 34.4 | Very low | 35.2 | Very low | 125 Ų | 125 | 135 Ų | 135 | 77% | 0.767 | 74% | 0.744 | S | S | * | * | | | cis | -157.3 | 146.1 | 32.1 | -26.7 | 0 | 0 | 0 | 0 | 109.3 | T240 | T238-T240 PolarHBondContact O-N 3.16Å; T238-T240 VanDerWaalsContact O-N 3.16Å |
| 239 | D | 33.9 | Very low | 35.3 | Very low | 142 Ų | 142 | 138.9 Ų | 138.9 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | | | trans | -56.8 | 108.7 | 178.8 | -67.6 | -69.6 | 0 | 0 | 0 | 113.3 | | |
| 240 | T | 37.9 | Very low | 34.8 | Very low | 132 Ų | 132 | 140 Ų | 140 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | | | trans | -128.9 | 116 | 160.3 | 28.6 | 0 | 0 | 0 | 0 | 110 | T238 | T238-T240 PolarHBondContact O-N 3.16Å; T238-T240 VanDerWaalsContact O-N 3.16Å |
| 241 | N | 35.5 | Very low | 34.9 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | trans | 26.4 | 91.7 | 167.2 | -96.5 | -28.5 | 0 | 0 | 0 | 117.8 | S243 | N241-S243 PolarHBondContact O-N 3.31Š|
| 242 | K | 40.2 | Very low | 35.1 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 47.1 | 174.3 | -71.8 | 177.9 | 173.6 | 160.6 | 0 | 114.3 | H246 | K242-H246 PolarHBondContact O-CE1 3.47Å; K242-H246 PolarHBondContact O-NE2 3.36Å |
| 243 | S | 42.4 | Very low | 35.3 | Very low | 75 Ų | 75 | 139.3 Ų | 139.3 | 52% | 0.524 | 77% | 0.765 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -115.3 | -13.2 | 172.6 | 57.8 | 0 | 0 | 0 | 0 | 116 | N241 H246 | N241-S243 PolarHBondContact O-N 3.31Å; S243-H246 PolarHBondContact O-CD2 2.82Å; S243-H246 PolarHBondContact O-NE2 3.16Å |
| 244 | D | 36.4 | Very low | 35.4 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 66% | 0.663 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -121.2 | -4.5 | 179.8 | -75 | -39.8 | 0 | 0 | 0 | 115.1 | H246 | D244-H246 PolarHBondContact O-N 2.89Š|
| 245 | A | 39.6 | Very low | 35.4 | Very low | 74 Ų | 74 | 135.9 Ų | 135.9 | 61% | 0.612 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -7.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 246 | H | 35.8 | Very low | 35.1 | Very low | 129 Ų | 129 | 133.9 Ų | 133.9 | 60% | 0.597 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -22.9 | -177.9 | -22.1 | -65.6 | 0 | 0 | 0 | 113.2 | K242 S243 D244 L248 | K242-H246 PolarHBondContact O-CE1 3.47Å; K242-H246 PolarHBondContact O-NE2 3.36Å; S243-H246 PolarHBondContact O-CD2 2.82Å; S243-H246 PolarHBondContact O-NE2 3.16Å; D244-H246 PolarHBondContact O-N 2.89Å; H246-L248 VanDerWaalsContact C-N 3.29Å; H246-L248 PolarHBondContact O-N 2.81Å |
| 247 | L | 39.6 | Very low | 35.2 | Very low | 152 Ų | 152 | 132.3 Ų | 132.3 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -9.7 | -177.8 | -67.2 | 179.4 | 0 | 0 | 0 | 113.4 | | |
| 248 | L | 45.4 | Very low | 35.3 | Very low | 161 Ų | 161 | 133.5 Ų | 133.5 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | 23.5 | -177.1 | -63.2 | 175.5 | 0 | 0 | 0 | 113.4 | H246 | H246-L248 VanDerWaalsContact C-N 3.29Å; H246-L248 PolarHBondContact O-N 2.81Å |
| 249 | R | 31 | Very low | 35.3 | Very low | 227 Ų | 227 | 135.4 Ų | 135.4 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | | | trans | -124.7 | 73.1 | 176.7 | -166.4 | 163.7 | 172.9 | 156.1 | -3.7 | 112.3 | | |
| 250 | C | 32.1 | Very low | 35.1 | Very low | 134 Ų | 134 | 133.3 Ų | 133.3 | 91% | 0.905 | 77% | 0.766 | S | S | * | * | | | trans | -157.3 | 105.5 | 146.9 | -138.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 251 | G | 34.1 | Very low | 34.6 | Very low | 77 Ų | 77 | 132 Ų | 132 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | | | trans | 165.3 | 66.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | T253 | G251-T253 PolarHBondContact O-N 3Š|
| 252 | T | 34.5 | Very low | 34.3 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | | | trans | -63.7 | 121.2 | 170.4 | 44.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 253 | T | 33.9 | Very low | 34.2 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | trans | 53.1 | 113.9 | 144.4 | 61 | 0 | 0 | 0 | 0 | 115.9 | G251 | G251-T253 PolarHBondContact O-N 3Š|
| 254 | T | 32.9 | Very low | 33.4 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 77% | 0.767 | 78% | 0.777 | S | S | * | * | S | Bend | | -168.7 | 149.8 | 66.1 | -47.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 255 | E | 28.9 | Very low | 33 | Very low | 177 Ų | 177 | 131.4 Ų | 131.4 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | | | trans | 85.3 | 45.2 | 173.6 | -44.2 | -174.6 | -154.3 | 0 | 0 | 117.5 | S257 | E255-S257 VanDerWaalsContact C-N 3.33Å; E255-S257 PolarHBondContact O-N 3.36Å |
| 256 | C | 30.3 | Very low | 32.5 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | | | trans | -81.4 | 86.7 | 150.7 | -66.5 | 0 | 0 | 0 | 0 | 108.5 | T258 | C256-T258 PolarHBondContact O-N 3.34Š|
| 257 | S | 31.9 | Very low | 32.2 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | trans | -58.2 | 105.1 | 161.5 | -67.4 | 0 | 0 | 0 | 0 | 108 | E255 I259 | E255-S257 VanDerWaalsContact C-N 3.33Å; E255-S257 PolarHBondContact O-N 3.36Å; S257-I259 PolarHBondContact O-N 3.09Å |
| 258 | T | 30.3 | Very low | 31.7 | Very low | 137 Ų | 137 | 134.3 Ų | 134.3 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | | | trans | -54.2 | 99.5 | 166.5 | 33.9 | 0 | 0 | 0 | 0 | 108.6 | C256 S260 | C256-T258 PolarHBondContact O-N 3.34Å; T258-S260 VanDerWaalsContact C-N 3.32Å; T258-S260 PolarHBondContact O-N 3.45Å |
| 259 | I | 35.6 | Very low | 31.2 | Very low | 166 Ų | 166 | 135.8 Ų | 135.8 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | | | trans | -69.3 | 100.5 | 164 | -58.3 | 174.1 | 0 | 0 | 0 | 105.2 | S257 S261 | S257-I259 PolarHBondContact O-N 3.09Å; I259-S261 PolarHBondContact O-N 3.08Å |
| 260 | S | 28.2 | Very low | 31.3 | Very low | 97 Ų | 97 | 130.2 Ų | 130.2 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | | | trans | -54.8 | 124.2 | 173.1 | 60.4 | 0 | 0 | 0 | 0 | 109.4 | T258 N262 | T258-S260 VanDerWaalsContact C-N 3.32Å; T258-S260 PolarHBondContact O-N 3.45Å; S260-N262 PolarHBondContact O-N 3.32Å |
| 261 | S | 28.7 | Very low | 31.1 | Very low | 105 Ų | 105 | 128.2 Ų | 128.2 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | | | trans | -65.7 | 99.5 | 171.7 | 51.4 | 0 | 0 | 0 | 0 | 110.3 | I259 P263 | I259-S261 PolarHBondContact O-N 3.08Å; S261-P263 WeakPolarHBondContact O-CD 3.24Å |
| 262 | N | 27.4 | Very low | 31.4 | Very low | 151 Ų | 151 | 131 Ų | 131 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | | | trans | -95.7 | 102 | 151.4 | -92.5 | 8.1 | 0 | 0 | 0 | 107.6 | S260 C264 | S260-N262 PolarHBondContact O-N 3.32Å; N262-C264 PolarHBondContact O-N 2.8Å |
| 263 | P | 38.7 | Very low | 31.3 | Very low | 117 Ų | 117 | 134.8 Ų | 134.8 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | | | trans | -85.1 | 58.1 | -174.6 | 36 | -35.4 | 0 | 0 | 0 | 111.1 | S261 | S261-P263 WeakPolarHBondContact O-CD 3.24Š|
| 264 | C | 26.4 | Very low | 31.3 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -153.5 | 72.7 | 172.8 | -89.6 | 0 | 0 | 0 | 0 | 111.1 | N262 | N262-C264 PolarHBondContact O-N 2.8Š|
| 265 | S | 28.5 | Very low | 31.1 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | -155.3 | 81.8 | 151.9 | -81.6 | 0 | 0 | 0 | 0 | 109 | | |
| 266 | S | 29.1 | Very low | 31.4 | Very low | 118 Ų | 118 | 140.5 Ų | 140.5 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | trans | -61.3 | 140.3 | 156.1 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 267 | S | 28.7 | Very low | 31.5 | Very low | 93 Ų | 93 | 139.6 Ų | 139.6 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | | | trans | 80.5 | 89.5 | 175.2 | 83.3 | 0 | 0 | 0 | 0 | 117.3 | | |
| 268 | R | 29.7 | Very low | 31.9 | Very low | 206 Ų | 206 | 140.2 Ų | 140.2 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | | | | -156.6 | 91.9 | 124.9 | -109.1 | 175.7 | -124.6 | -157.7 | 1 | 108 | | |
| 269 | F | 33.6 | Very low | 32 | Very low | 191 Ų | 191 | 140.5 Ų | 140.5 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | | | trans | -44.4 | 130.5 | 153.5 | -69.9 | -90.3 | 0 | 0 | 0 | 108 | S271 | F269-S271 PolarHBondContact O-N 2.97Š|
| 270 | P | 33.4 | Very low | 32.2 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | | | trans | -58.5 | 116.1 | 165.7 | 23.1 | -28.8 | 0 | 0 | 0 | 106.8 | V272 | P270-V272 PolarHBondContact O-N 2.99Š|
| 271 | S | 28.2 | Very low | 32.5 | Very low | 92 Ų | 92 | 135.4 Ų | 135.4 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | | | trans | -55.1 | 130.7 | 173.3 | 53.6 | 0 | 0 | 0 | 0 | 108.5 | F269 Y273 | F269-S271 PolarHBondContact O-N 2.97Å; S271-Y273 PolarHBondContact O-N 2.71Å |
| 272 | V | 39.5 | Very low | 32.8 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 83% | 0.83 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 27.7 | -173.7 | -163.9 | 0 | 0 | 0 | 0 | 113.6 | P270 | P270-V272 PolarHBondContact O-N 2.99Š|
| 273 | Y | 33.3 | Very low | 32.9 | Very low | 208 Ų | 208 | 134.1 Ų | 134.1 | 82% | 0.816 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.2 | 22.7 | -179.4 | -75 | -75.2 | 0 | 0 | 0 | 114 | S271 R275 | S271-Y273 PolarHBondContact O-N 2.71Å; Y273-R275 PolarHBondContact O-N 2.82Å |
| 274 | E | 33.6 | Very low | 33 | Very low | 173 Ų | 173 | 133.9 Ų | 133.9 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | | | trans | -73.5 | 91.8 | 163.1 | -156.3 | 162.5 | -151.5 | 0 | 0 | 107.9 | I276 | E274-I276 PolarHBondContact O-N 3.35Š|
| 275 | R | 29.7 | Very low | 33.4 | Very low | 223 Ų | 223 | 134.9 Ų | 134.9 | 84% | 0.842 | 75% | 0.754 | S | S | * | * | | | trans | -42.3 | 105.4 | 172.3 | -69 | -170.4 | -92.9 | -176.6 | -6.2 | 108.2 | Y273 S277 | Y273-R275 PolarHBondContact O-N 2.82Å; R275-S277 PolarHBondContact O-N 3.07Å |
| 276 | I | 35.4 | Very low | 33.6 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | | | trans | -58.3 | 97.7 | 157.7 | 40.1 | 167.3 | 0 | 0 | 0 | 105.3 | E274 T278 | E274-I276 PolarHBondContact O-N 3.35Å; I276-T278 VanDerWaalsContact C-N 3.27Å; I276-T278 PolarHBondContact O-N 2.92Å |
| 277 | S | 31.5 | Very low | 33.8 | Very low | 109 Ų | 109 | 141.7 Ų | 141.7 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | | | trans | -55.5 | 100.9 | 167.4 | -71 | 0 | 0 | 0 | 0 | 106.1 | R275 D279 | R275-S277 PolarHBondContact O-N 3.07Å; S277-D279 PolarHBondContact O-N 3.49Å |
| 278 | T | 40.5 | Very low | 33.7 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | | | trans | -73.4 | 39.1 | 168.8 | 54.4 | 0 | 0 | 0 | 0 | 109.9 | I276 S280 | I276-T278 VanDerWaalsContact C-N 3.27Å; I276-T278 PolarHBondContact O-N 2.92Å; T278-S280 PolarHBondContact O-N 3.02Å |
| 279 | D | 33.1 | Very low | 33.9 | Very low | 143 Ų | 143 | 144.8 Ų | 144.8 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | | | trans | -75.8 | 63.6 | 167.8 | -166.7 | 10.8 | 0 | 0 | 0 | 107.8 | S277 G281 | S277-D279 PolarHBondContact O-N 3.49Å; D279-G281 PolarHBondContact O-N 3.22Å |
| 280 | S | 39.8 | Very low | 33.9 | Very low | 85 Ų | 85 | 139 Ų | 139 | 59% | 0.594 | 75% | 0.745 | S | S | * | * | | | trans | -65 | 95.1 | 157.4 | 52.2 | 0 | 0 | 0 | 0 | 105.3 | T278 L282 | T278-S280 PolarHBondContact O-N 3.02Å; S280-L282 PolarHBondContact O-N 2.96Å |
| 281 | G | 33.6 | Very low | 33.9 | Very low | 72 Ų | 72 | 136.7 Ų | 136.7 | 74% | 0.742 | 73% | 0.729 | S | S | * | * | | | trans | -64 | 48.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D279 | D279-G281 PolarHBondContact O-N 3.22Š|
| 282 | L | 34.3 | Very low | 34.2 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 59% | 0.586 | 71% | 0.706 | S | S | * | * | | | trans | -104.5 | 130.3 | 172.4 | -65.9 | 179.8 | 0 | 0 | 0 | 108.2 | S280 S284 | S280-L282 PolarHBondContact O-N 2.96Å; L282-S284 PolarHBondContact O-N 3.29Å |
| 283 | P | 30.7 | Very low | 33.9 | Very low | 116 Ų | 116 | 128 Ų | 128 | 75% | 0.753 | 67% | 0.671 | S | S | * | * | | | trans | -57.9 | 127.7 | -175.3 | 22.1 | -31.8 | 0 | 0 | 0 | 110.4 | N285 | P283-N285 PolarHBondContact O-N 3.06Š|
| 284 | S | 41 | Very low | 33.9 | Very low | 112 Ų | 112 | 118.8 Ų | 118.8 | 78% | 0.783 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -68.7 | 71.2 | 178.7 | 58.9 | 0 | 0 | 0 | 0 | 110.7 | L282 | L282-S284 PolarHBondContact O-N 3.29Š|
| 285 | N | 34 | Very low | 33.8 | Very low | 142 Ų | 142 | 113.1 Ų | 113.1 | 76% | 0.759 | 61% | 0.613 | S | S | * | * | | | trans | -163 | 48.8 | 170.3 | -90.3 | -36.7 | 0 | 0 | 0 | 112.1 | P283 | P283-N285 PolarHBondContact O-N 3.06Š|
| 286 | Y | 32.7 | Very low | 33.9 | Very low | 218 Ų | 218 | 105.8 Ų | 105.8 | 86% | 0.855 | 59% | 0.586 | S | S | * | * | | | trans | -140.6 | 105.3 | 157.5 | -85.2 | -77.6 | 0 | 0 | 0 | 111 | M288 | Y286-M288 PolarHBondContact O-N 3.24Š|
| 287 | L | 32.8 | Very low | 33.7 | Very low | 166 Ų | 166 | 106 Ų | 106 | 87% | 0.869 | 58% | 0.581 | S | S | * | * | | | trans | -13.1 | 119.1 | 154.8 | -70.3 | 144.1 | 0 | 0 | 0 | 113.7 | | |
| 288 | M | 28.3 | Very low | 34 | Very low | 180 Ų | 180 | 105.7 Ų | 105.7 | 89% | 0.887 | 57% | 0.569 | S | S | * | * | | | trans | 13.5 | 106.3 | 161.5 | -65.8 | -70.5 | 95.6 | 0 | 0 | 116.3 | Y286 | Y286-M288 PolarHBondContact O-N 3.24Š|
| 289 | R | 33.5 | Very low | 33.9 | Very low | 183 Ų | 183 | 105.5 Ų | 105.5 | 69% | 0.691 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -64 | 142.7 | 174.6 | -75.7 | -176.5 | 177.7 | -161.8 | -0.4 | 111.6 | V291 | R289-V291 PolarHBondContact O-N 2.81Š|
| 290 | P | 33 | Very low | 34.3 | Very low | 71 Ų | 71 | 106.4 Ų | 106.4 | 46% | 0.461 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -64.3 | 125.5 | 178.6 | 23.2 | -30.9 | 0 | 0 | 0 | 111.7 | N150 | N150-P290 HydrophobicContact CB-CB 3.91Å; N150-P290 VanDerWaalsContact O-CB 3.24Å; N150-P290 WeakPolarHBondContact O-CB 3.49Å |
| 291 | V | 34.4 | Very low | 34.3 | Very low | 60 Ų | 60 | 110.5 Ų | 110.5 | 36% | 0.364 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -74.6 | 127.6 | 176.9 | 171.8 | 0 | 0 | 0 | 0 | 110 | P115 N150 R289 | P115-V291 WeakPolarHBondContact O-CA 3.21Å; N150-V291 PolarHBondContact ND2-O 3.15Å; R289-V291 PolarHBondContact O-N 2.81Å |
| 292 | I | 33.5 | Very low | 34.7 | Very low | 34 Ų | 34 | 113.3 Ų | 113.3 | 17% | 0.174 | 58% | 0.575 | C | S | . | * | | | trans | -98.2 | 102.5 | -179.8 | -63.7 | 175.5 | 0 | 0 | 0 | 110 | I117 V147 K148 | I117-I292 HydrophobicContact CB-CD1 4.5Å; I117-I292 HydrophobicContact CD1-CG2 3.67Å; I117-I292 HydrophobicContact CG1-CB 4.38Å; I117-I292 HydrophobicContact CG1-CG2 3.93Å; V147-I292 HydrophobicContact CB-CG2 4.39Å; V147-I292 HydrophobicContact CG1-CG2 3.44Å; V147-I292 VanDerWaalsContact CG1-CG2 3.44Å; K148-I292 WeakPolarHBondContact O-CA 3.31Å; K148-I292 WeakPolarHBondContact O-CG2 3.49Å |
| 293 | S | 33.4 | Very low | 34.7 | Very low | 12 Ų | 12 | 115 Ų | 115 | 8% | 0.084 | 59% | 0.585 | C | S | . | * | | | trans | -100.8 | 143.3 | -178.3 | -172.3 | 0 | 0 | 0 | 0 | 111.9 | E113 K148 | E113-S293 WeakPolarHBondContact CG-OG 3.01Å; E113-S293 WeakPolarHBondContact OE1-CB 3.42Å; E113-S293 PolarHBondContact OE1-OG 3.24Å; K148-S293 WeakPolarHBondContact CB-O 2.72Å; K148-S293 WeakPolarHBondContact CD-O 3.42Å; K148-S293 WeakPolarHBondContact CG-O 2.8Å; K148-S293 PolarHBondContact N-O 3.46Å |
| 294 | G | 32 | Very low | 35.1 | Very low | 16 Ų | 16 | 114.3 Ų | 114.3 | 17% | 0.165 | 58% | 0.583 | C | S | . | * | | | trans | -140.3 | 144.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | I146 | I146-G294 WeakPolarHBondContact O-CA 3.36Š|
| 295 | H | 32 | Very low | 34.9 | Very low | 53 Ų | 53 | 115.7 Ų | 115.7 | 25% | 0.245 | 58% | 0.582 | C | S | . | * | | | trans | -128.5 | 160.9 | 176.4 | -51.2 | -84.9 | 0 | 0 | 0 | 111.4 | E111 I146 K148 | E111-H295 IonicContact OE1-CE1 2.95Å; E111-H295 PolarHBondContact OE1-CE1 3.44Å; E111-H295 IonicContact OE1-ND1 3.09Å; E111-H295 PolarHBondContact OE1-ND1 3.49Å; E111-H295 VanDerWaalsContact OE1-ND1 3.09Å; E111-H295 IonicContact OE2-CE1 3.68Å; E111-H295 IonicContact OE2-ND1 3.03Å; E111-H295 PolarHBondContact OE2-ND1 3.09Å; I146-H295 WeakPolarHBondContact CB-O 3.22Å; I146-H295 HydrophobicContact CD1-CB 4.31Å; I146-H295 VanDerWaalsContact CD1-O 3.24Å; I146-H295 WeakPolarHBondContact CD1-O 3.2Å; I146-H295 WeakPolarHBondContact CG1-O 3.29Å; I146-H295 PolarHBondContact N-O 3.49Å; K148-H295 PolarHBondContact NZ-CD2 3.44Å; K148-H295 PolarHBondContact NZ-NE2 3.3Å |
| 296 | R | 33.2 | Very low | 34.9 | Very low | 70 Ų | 70 | 116.7 Ų | 116.7 | 26% | 0.264 | 59% | 0.587 | S | S | . | * | | | trans | -116.3 | 144.2 | -179.3 | 70.3 | -160.5 | -154.2 | 169.7 | 23.9 | 111.7 | G108 R109 Y110 | G108-R296 PolarHBondContact O-NH2 2.7Å; R109-R296 VanDerWaalsContact CA-NE 3.28Å; R109-R296 PolarHBondContact NE-O 3.42Å; R109-R296 PolarHBondContact NH2-O 3.39Å; Y110-R296 VanDerWaalsContact CB-NH1 3.34Å; Y110-R296 WeakPolarHBondContact O-CD 2.91Å; Y110-R296 PolarHBondContact O-NE 2.89Å; Y110-R296 VanDerWaalsContact O-NE 3.17Å; Y110-R296 PolarHBondContact O-NH1 2.85Å |
| 297 | K | 30.8 | Very low | 35.1 | Very low | 154 Ų | 154 | 118.2 Ų | 118.2 | 67% | 0.67 | 59% | 0.591 | S | S | * | * | | | trans | -130.1 | 123 | 168.6 | -172.1 | -176.9 | 178.6 | -172 | 0 | 108.3 | S144 | S144-K297 PolarHBondContact OG-N 3.29Å; S144-K297 PolarHBondContact OG-O 3.06Å |
| 298 | I | 37.9 | Very low | 35.2 | Very low | 102 Ų | 102 | 115.7 Ų | 115.7 | 52% | 0.523 | 59% | 0.587 | S | S | . | * | | | trans | -116.8 | 133 | 167.5 | -61.5 | 171.9 | 0 | 0 | 0 | 105.7 | | |
| 299 | V | 38.6 | Very low | 35.1 | Very low | 114 Ų | 114 | 110.3 Ų | 110.3 | 69% | 0.691 | 58% | 0.579 | S | S | * | * | | | trans | -78.8 | 127.7 | 179.6 | 174.5 | 0 | 0 | 0 | 0 | 108.1 | E301 | V299-E301 PolarHBondContact O-N 3.09Š|
| 300 | E | 41.3 | Very low | 35.1 | Very low | 162 Ų | 162 | 111.3 Ų | 111.3 | 76% | 0.757 | 59% | 0.588 | S | S | * | * | | | trans | -76.7 | 107.1 | 170.8 | -66.1 | 177.1 | 175.1 | 0 | 0 | 107.2 | D302 | E300-D302 PolarHBondContact O-N 3.16Š|
| 301 | E | 40.2 | Very low | 35 | Very low | 172 Ų | 172 | 115.1 Ų | 115.1 | 80% | 0.804 | 61% | 0.605 | S | S | * | * | | | trans | -78.3 | 96.9 | 159.5 | -77.9 | -176.5 | 175 | 0 | 0 | 106.8 | V299 N303 | V299-E301 PolarHBondContact O-N 3.09Å; E301-N303 PolarHBondContact O-N 2.94Å |
| 302 | D | 41.5 | Very low | 35.1 | Very low | 130 Ų | 130 | 119.6 Ų | 119.6 | 70% | 0.695 | 63% | 0.625 | S | S | * | * | | | trans | -63.4 | 86.3 | 168 | -78.7 | -32.8 | 0 | 0 | 0 | 109.2 | E300 S304 | E300-D302 PolarHBondContact O-N 3.16Å; D302-S304 PolarHBondContact O-N 2.9Å |
| 303 | N | 34.2 | Very low | 34.9 | Very low | 147 Ų | 147 | 121 Ų | 121 | 79% | 0.786 | 65% | 0.648 | S | S | * | * | | | trans | -70 | 76.8 | 162 | -94.8 | -22.8 | 0 | 0 | 0 | 108.8 | E301 | E301-N303 PolarHBondContact O-N 2.94Š|
| 304 | S | 39.7 | Very low | 34.8 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 72% | 0.72 | 69% | 0.688 | S | S | * | * | | | trans | -106.9 | 69 | 168.2 | 56.2 | 0 | 0 | 0 | 0 | 109.6 | D302 | D302-S304 PolarHBondContact O-N 2.9Š|
| 305 | N | 36.5 | Very low | 34.6 | Very low | 140 Ų | 140 | 131.3 Ų | 131.3 | 75% | 0.749 | 71% | 0.714 | S | S | * | * | | | trans | -89.9 | 141.9 | 161.4 | -79.9 | -23.2 | 0 | 0 | 0 | 109.4 | | |
| 306 | D | 34.1 | Very low | 34.5 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 87% | 0.872 | 75% | 0.748 | S | S | * | * | | | trans | 93.2 | 66.8 | 168.3 | -52.3 | -23.6 | 0 | 0 | 0 | 116.9 | | |
| 307 | R | 36.3 | Very low | 34.5 | Very low | 250 Ų | 250 | 146.2 Ų | 146.2 | 94% | 0.943 | 78% | 0.777 | S | S | * | * | | | trans | -94 | 110.9 | 151.2 | -114.7 | 179.6 | -178.7 | 179.8 | 0.6 | 110.2 | | |
| 308 | S | 34.4 | Very low | 34.5 | Very low | 113 Ų | 113 | 146 Ų | 146 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | trans | -51.1 | 147.7 | 160.6 | 52.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 309 | G | 27.4 | Very low | 34.3 | Very low | 68 Ų | 68 | 146.6 Ų | 146.6 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | | | trans | -63 | 161.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 310 | F | 33 | Very low | 34.2 | Very low | 204 Ų | 204 | 147 Ų | 147 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | | | trans | -153.1 | 117.1 | 141.6 | -122.3 | -88.7 | 0 | 0 | 0 | 107.8 | I312 | F310-I312 HydrophobicContact CD1-CD1 4.34Å; F310-I312 HydrophobicContact CE1-CD1 4.43Å |
| 311 | D | 30.4 | Very low | 33.7 | Very low | 151 Ų | 151 | 146.1 Ų | 146.1 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | | | trans | -77.1 | 131.3 | 165.8 | -177.2 | 13.7 | 0 | 0 | 0 | 108 | | |
| 312 | I | 36 | Very low | 33.4 | Very low | 153 Ų | 153 | 147.4 Ų | 147.4 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | | | trans | -176.7 | 118.1 | 154.4 | -87.1 | 146.2 | 0 | 0 | 0 | 107.1 | F310 | F310-I312 HydrophobicContact CD1-CD1 4.34Å; F310-I312 HydrophobicContact CE1-CD1 4.43Å |
| 313 | G | 29.5 | Very low | 33 | Very low | 64 Ų | 64 | 144.2 Ų | 144.2 | 66% | 0.66 | 80% | 0.798 | S | S | * | * | | | | 106.2 | 98.7 | 120.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 314 | D | 31 | Very low | 33.1 | Very low | 175 Ų | 175 | 144.5 Ų | 144.5 | 94% | 0.936 | 80% | 0.799 | S | S | * | * | | | trans | -43.3 | 136.9 | 163.9 | -60.8 | -58.5 | 0 | 0 | 0 | 114.9 | | |
| 315 | G | 29 | Very low | 32.6 | Very low | 69 Ų | 69 | 142.3 Ų | 142.3 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | | | trans | 168.6 | 76.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R317 | G315-R317 PolarHBondContact O-N 2.86Š|
| 316 | E | 30.1 | Very low | 32.5 | Very low | 201 Ų | 201 | 142.6 Ų | 142.6 | 94% | 0.939 | 80% | 0.795 | S | S | * | * | | | trans | -10.5 | 90.9 | 165.3 | -59.5 | -175.8 | 162.6 | 0 | 0 | 116.7 | | |
| 317 | R | 33.1 | Very low | 32.6 | Very low | 236 Ų | 236 | 143.1 Ų | 143.1 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | | | trans | -134.9 | 107.5 | 146.1 | -72.3 | -169 | 179.5 | -152.3 | -0.4 | 107.2 | G315 | G315-R317 PolarHBondContact O-N 2.86Š|
| 318 | N | 30.3 | Very low | 32.6 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | | | trans | -39.1 | 143.7 | 165.7 | -105.5 | -37.4 | 0 | 0 | 0 | 110.2 | V320 | N318-V320 PolarHBondContact O-N 3.18Š|
| 319 | P | 33 | Very low | 32.7 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | | | trans | -54.8 | 110.8 | -175.3 | 23.8 | -32.8 | 0 | 0 | 0 | 108.2 | N321 | P319-N321 PolarHBondContact O-N 3.44Š|
| 320 | V | 36.8 | Very low | 33.1 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 74% | 0.739 | 79% | 0.788 | S | S | * | * | | | trans | -63.2 | 93.4 | 156.2 | -178.8 | 0 | 0 | 0 | 0 | 103 | N318 F322 | N318-V320 PolarHBondContact O-N 3.18Å; V320-F322 PolarHBondContact O-N 3.25Å |
| 321 | N | 32 | Very low | 33.8 | Very low | 144 Ų | 144 | 144.5 Ų | 144.5 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | | | trans | -30.5 | 107.9 | 154.4 | -166.7 | 0.1 | 0 | 0 | 0 | 105.6 | P319 G323 | P319-N321 PolarHBondContact O-N 3.44Å; N321-G323 PolarHBondContact O-N 3.04Å |
| 322 | F | 34 | Very low | 34.3 | Very low | 199 Ų | 199 | 145.6 Ų | 145.6 | 87% | 0.873 | 78% | 0.784 | S | S | * | * | | | trans | -63.1 | 87.4 | 170.3 | -92.4 | -83.9 | 0 | 0 | 0 | 105.5 | V320 N324 | V320-F322 PolarHBondContact O-N 3.25Å; F322-N324 PolarHBondContact O-N 3.27Å |
| 323 | G | 32.2 | Very low | 34.4 | Very low | 63 Ų | 63 | 141 Ų | 141 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | | | trans | -60.3 | 88.1 | 156.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | N321 | N321-G323 PolarHBondContact O-N 3.04Š|
| 324 | N | 36.1 | Very low | 34.6 | Very low | 152 Ų | 152 | 147.1 Ų | 147.1 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | | | trans | -150.1 | 29.2 | 152.2 | -114.6 | 8.7 | 0 | 0 | 0 | 110.6 | F322 | F322-N324 PolarHBondContact O-N 3.27Š|
| 325 | G | 30.2 | Very low | 35.2 | Very low | 58 Ų | 58 | 148.4 Ų | 148.4 | 60% | 0.598 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -120.7 | 134.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 326 | N | 33.7 | Very low | 35.6 | Very low | 145 Ų | 145 | 148 Ų | 148 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | | | trans | 74.3 | 76.2 | 178.7 | -56.3 | -16.3 | 0 | 0 | 0 | 115.8 | Q328 | N326-Q328 HydrophobicContact CB-CG 4.48Å; N326-Q328 PolarHBondContact O-N 3.15Å |
| 327 | H | 37.2 | Very low | 36.2 | Very low | 174 Ų | 174 | 148.8 Ų | 148.8 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | | | trans | -56.2 | 86 | 142.4 | -63 | -69.1 | 0 | 0 | 0 | 108.9 | L329 | H327-L329 VanDerWaalsContact C-N 3.3Å; H327-L329 PolarHBondContact O-N 3.34Å |
| 328 | Q | 34.7 | Very low | 36.3 | Very low | 172 Ų | 172 | 144.5 Ų | 144.5 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -67.6 | 97.3 | 161.9 | -70.2 | -173.3 | 12 | 0 | 0 | 106.6 | N326 S330 | N326-Q328 HydrophobicContact CB-CG 4.48Å; N326-Q328 PolarHBondContact O-N 3.15Å; Q328-S330 PolarHBondContact O-N 3.25Å |
| 329 | L | 37.7 | Very low | 36.7 | Very low | 165 Ų | 165 | 144.2 Ų | 144.2 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | trans | -65.3 | 89.2 | 165.3 | -69.7 | 170 | 0 | 0 | 0 | 107.4 | H327 R331 | H327-L329 VanDerWaalsContact C-N 3.3Å; H327-L329 PolarHBondContact O-N 3.34Å; L329-R331 PolarHBondContact O-N 2.56Å |
| 330 | S | 35 | Very low | 36.9 | Very low | 99 Ų | 99 | 145.8 Ų | 145.8 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | | | trans | -61.4 | 101.9 | 162.2 | -168.9 | 0 | 0 | 0 | 0 | 107.5 | Q328 F332 | Q328-S330 PolarHBondContact O-N 3.25Å; S330-F332 VanDerWaalsContact C-N 3.28Å; S330-F332 PolarHBondContact OG-O 3.46Å; S330-F332 VanDerWaalsContact OG-O 3.07Å |
| 331 | R | 47.5 | Very low | 36.9 | Very low | 229 Ų | 229 | 147.2 Ų | 147.2 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | | | trans | -86.2 | -4.5 | 169 | -151.6 | -178.6 | -175.8 | -165.2 | 0.9 | 112.1 | L329 | L329-R331 PolarHBondContact O-N 2.56Š|
| 332 | F | 42.4 | Very low | 37.2 | Very low | 173 Ų | 173 | 147.4 Ų | 147.4 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -112.5 | 94.6 | 173.2 | -64.8 | -72.2 | 0 | 0 | 0 | 108.4 | S330 Q334 | S330-F332 VanDerWaalsContact C-N 3.28Å; S330-F332 PolarHBondContact OG-O 3.46Å; S330-F332 VanDerWaalsContact OG-O 3.07Å; F332-Q334 PolarHBondContact O-N 3.09Å |
| 333 | G | 36.2 | Very low | 37.4 | Very low | 58 Ų | 58 | 144 Ų | 144 | 60% | 0.598 | 80% | 0.798 | S | S | * | * | | | trans | -46.2 | 134.7 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | F335 | G333-F335 PolarHBondContact O-N 2.78Å; G333-F335 VanDerWaalsContact O-N 3.09Å |
| 334 | Q | 35.3 | Very low | 37.7 | Very low | 192 Ų | 192 | 149.8 Ų | 149.8 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | | | trans | -50.4 | 110.2 | 172.6 | -163.6 | 173.1 | 17.3 | 0 | 0 | 109.1 | F332 G336 | F332-Q334 PolarHBondContact O-N 3.09Å; Q334-G336 PolarHBondContact O-N 2.81Å |
| 335 | F | 42.4 | Very low | 37.9 | Very low | 201 Ų | 201 | 149.6 Ų | 149.6 | 88% | 0.882 | 81% | 0.808 | S | S | * | * | | | trans | -77.6 | 102.4 | 158.4 | -73.6 | -77.6 | 0 | 0 | 0 | 106.3 | G333 | G333-F335 PolarHBondContact O-N 2.78Å; G333-F335 VanDerWaalsContact O-N 3.09Å |
| 336 | G | 37.8 | Very low | 38.5 | Very low | 60 Ų | 60 | 157.3 Ų | 157.3 | 62% | 0.619 | 83% | 0.825 | S | S | * | * | | | trans | -59.3 | 149 | 157 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q334 | Q334-G336 PolarHBondContact O-N 2.81Š|
| 337 | T | 42.6 | Very low | 39 | Very low | 219 Ų | 219 | 158.4 Ų | 158.4 | 100% | 1.344 | 83% | 0.83 | S | S | * | * | | | trans | -21 | 0 | 175.5 | 54 | 0 | 0 | 0 | 0 | 117.5 | | |