| 1 | M | 44.3 | Very low | 59.1 | Low | 228 Ų | 228 | 160.9 Ų | 160.9 | 100% | 1.123 | 84% | 0.837 | S | S | * | * | | | | 0 | 99.1 | 0 | -73.2 | 175.3 | 70.9 | 0 | 0 | 109.3 | | |
| 2 | P | 61.7 | Low | 58.4 | Low | 134 Ų | 134 | 156.7 Ų | 156.7 | 87% | 0.87 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 132.3 | 172.5 | -25.7 | 37.1 | 0 | 0 | 0 | 111.9 | | |
| 3 | R | 71.4 | Confident | 58.5 | Low | 249 Ų | 249 | 153.3 Ų | 153.3 | 94% | 0.94 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 129.8 | -178.5 | -68.9 | 178.5 | 174.3 | 158 | -1.7 | 109.7 | | |
| 4 | R | 66.7 | Low | 58.4 | Low | 232 Ų | 232 | 152.5 Ų | 152.5 | 88% | 0.875 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 140.8 | 174.7 | -75.6 | 175.1 | 146.2 | -179.5 | -8.1 | 110.4 | N6 | R4-N6 PolarHBondContact O-N 3.38Š|
| 5 | S | 65.4 | Low | 58.5 | Low | 107 Ų | 107 | 150.7 Ų | 150.7 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | | | trans | -44.6 | 121.3 | 174.5 | 47.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 6 | N | 61.4 | Low | 58.7 | Low | 170 Ų | 170 | 156.4 Ų | 156.4 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | | | trans | -95.7 | 74.9 | 156.2 | -68.2 | 3.7 | 0 | 0 | 0 | 107.2 | R4 | R4-N6 PolarHBondContact O-N 3.38Š|
| 7 | A | 57.8 | Low | 58.8 | Low | 86 Ų | 86 | 161.6 Ų | 161.6 | 71% | 0.711 | 83% | 0.833 | S | S | * | * | | | trans | -94.1 | 109.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 8 | N | 54 | Low | 59.2 | Low | 133 Ų | 133 | 160.3 Ų | 160.3 | 71% | 0.711 | 83% | 0.833 | S | S | * | * | | | trans | -59 | 131.6 | 176.8 | -100.1 | -37.6 | 0 | 0 | 0 | 109.4 | D10 | N8-D10 PolarHBondContact O-N 3.04Š|
| 9 | P | 61.2 | Low | 59.8 | Low | 117 Ų | 117 | 157.9 Ų | 157.9 | 76% | 0.76 | 83% | 0.832 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -2.6 | 179.3 | 30.2 | -34.6 | 0 | 0 | 0 | 114.1 | E11 | P9-E11 VanDerWaalsContact C-N 3.34Å; P9-E11 PolarHBondContact O-N 3.46Å |
| 10 | D | 56.1 | Low | 60.1 | Low | 138 Ų | 138 | 154.7 Ų | 154.7 | 74% | 0.738 | 83% | 0.828 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -1.4 | -174.3 | -67.8 | -36.1 | 0 | 0 | 0 | 114.6 | N8 C12 | N8-D10 PolarHBondContact O-N 3.04Å; D10-C12 VanDerWaalsContact C-N 3.3Å; D10-C12 PolarHBondContact O-N 2.96Å |
| 11 | E | 50.7 | Low | 60.4 | Low | 176 Ų | 176 | 159.1 Ų | 159.1 | 82% | 0.822 | 83% | 0.833 | S | S | * | * | | | trans | -85.5 | 79.3 | 177.3 | -152.5 | 157.5 | -168.5 | 0 | 0 | 109.4 | P9 | P9-E11 VanDerWaalsContact C-N 3.34Å; P9-E11 PolarHBondContact O-N 3.46Å |
| 12 | C | 49.6 | Very low | 61.1 | Low | 110 Ų | 110 | 156 Ų | 156 | 74% | 0.743 | 82% | 0.819 | S | S | * | * | | | trans | -54.3 | 127.7 | 169.9 | -74.7 | 0 | 0 | 0 | 0 | 109.2 | D10 V14 | D10-C12 VanDerWaalsContact C-N 3.3Å; D10-C12 PolarHBondContact O-N 2.96Å; C12-V14 PolarHBondContact O-N 3.06Å |
| 13 | P | 59.6 | Low | 61.4 | Low | 113 Ų | 113 | 154 Ų | 154 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | | | trans | -60.5 | 132.5 | -176.7 | 23.6 | -32.7 | 0 | 0 | 0 | 110 | T15 | P13-T15 PolarHBondContact O-N 3.23Š|
| 14 | V | 57.8 | Low | 60.7 | Low | 142 Ų | 142 | 146.7 Ų | 146.7 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | | | trans | -51.7 | 105.1 | 175.8 | 178.7 | 0 | 0 | 0 | 0 | 108.7 | C12 R16 | C12-V14 PolarHBondContact O-N 3.06Å; V14-R16 PolarHBondContact O-N 3.12Å; V14-R16 VanDerWaalsContact O-N 3.1Å |
| 15 | T | 59.9 | Low | 60 | Low | 125 Ų | 125 | 140.4 Ų | 140.4 | 77% | 0.767 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -60 | 116.7 | 176.7 | 43.6 | 0 | 0 | 0 | 0 | 108.6 | P13 R17 | P13-T15 PolarHBondContact O-N 3.23Å; T15-R17 PolarHBondContact O-N 3.03Å; T15-R17 VanDerWaalsContact O-N 3.09Å |
| 16 | R | 61.9 | Low | 59.6 | Low | 242 Ų | 242 | 144.3 Ų | 144.3 | 91% | 0.913 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 118 | 175.1 | -82.5 | -179.1 | 170.7 | -165.5 | -2.6 | 108.8 | V14 T18 | V14-R16 PolarHBondContact O-N 3.12Å; V14-R16 VanDerWaalsContact O-N 3.1Å; R16-T18 PolarHBondContact O-N 3.01Å; R16-T18 VanDerWaalsContact O-N 3.09Å |
| 17 | R | 60.7 | Low | 59.1 | Low | 246 Ų | 246 | 141 Ų | 141 | 93% | 0.928 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 116.7 | -179.9 | -68.3 | 170.4 | 74.3 | -178.6 | 3.8 | 108.9 | T15 S19 | T15-R17 PolarHBondContact O-N 3.03Å; T15-R17 VanDerWaalsContact O-N 3.09Å; R17-S19 PolarHBondContact O-N 3.19Å |
| 18 | T | 65.1 | Low | 58.7 | Low | 138 Ų | 138 | 141.6 Ų | 141.6 | 85% | 0.847 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 124.2 | 168.2 | 49.2 | 0 | 0 | 0 | 0 | 108.2 | R16 | R16-T18 PolarHBondContact O-N 3.01Å; R16-T18 VanDerWaalsContact O-N 3.09Å |
| 19 | S | 70.1 | Confident | 58.4 | Low | 115 Ų | 115 | 140 Ų | 140 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -55 | 135.5 | -177.7 | 41.7 | 0 | 0 | 0 | 0 | 111.8 | R17 R21 | R17-S19 PolarHBondContact O-N 3.19Å; S19-R21 PolarHBondContact O-N 2.93Å |
| 20 | A | 65.9 | Low | 57.9 | Low | 92 Ų | 92 | 140.8 Ų | 140.8 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 124.1 | 176 | 0 | 0 | 0 | 0 | 0 | 109.7 | I22 | A20-I22 PolarHBondContact O-N 3.25Š|
| 21 | R | 66.4 | Low | 57.5 | Low | 248 Ų | 248 | 138.3 Ų | 138.3 | 94% | 0.936 | 82% | 0.816 | S | S | * | * | | | trans | -72.8 | 111.5 | 170 | -65.6 | -178.1 | -171 | -176.4 | 2.1 | 108.2 | S19 | S19-R21 PolarHBondContact O-N 2.93Š|
| 22 | I | 59.6 | Low | 57.3 | Low | 162 Ų | 162 | 139.4 Ų | 139.4 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 123.2 | 171.3 | -57.9 | 175.5 | 0 | 0 | 0 | 107.5 | A20 | A20-I22 PolarHBondContact O-N 3.25Š|
| 23 | A | 68.4 | Low | 56.7 | Low | 92 Ų | 92 | 139.5 Ų | 139.5 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 125.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | A25 | A23-A25 PolarHBondContact O-N 3.5Š|
| 24 | A | 55.8 | Low | 56 | Low | 96 Ų | 96 | 139.8 Ų | 139.8 | 79% | 0.793 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 116.9 | 172 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q26 | A24-Q26 PolarHBondContact O-N 3.44Š|
| 25 | A | 51.7 | Low | 55.5 | Low | 100 Ų | 100 | 137.7 Ų | 137.7 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 123.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | A23 A27 | A23-A25 PolarHBondContact O-N 3.5Å; A25-A27 PolarHBondContact O-N 3.33Å |
| 26 | Q | 57.3 | Low | 54.7 | Low | 189 Ų | 189 | 141.1 Ų | 141.1 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 120.7 | 176.6 | -65.2 | -174 | -8.2 | 0 | 0 | 109.2 | A24 A28 | A24-Q26 PolarHBondContact O-N 3.44Å; Q26-A28 PolarHBondContact O-N 3.02Å |
| 27 | A | 52 | Low | 53.5 | Low | 100 Ų | 100 | 134.7 Ų | 134.7 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 122.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | A25 S29 | A25-A27 PolarHBondContact O-N 3.33Å; A27-S29 PolarHBondContact O-N 3.3Å |
| 28 | A | 48.6 | Very low | 53.5 | Low | 99 Ų | 99 | 128.5 Ų | 128.5 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 135 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q26 | Q26-A28 PolarHBondContact O-N 3.02Š|
| 29 | S | 48 | Very low | 52.4 | Low | 100 Ų | 100 | 131.6 Ų | 131.6 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | | | trans | -44.6 | 147.6 | -176.8 | 52.7 | 0 | 0 | 0 | 0 | 116 | A27 A31 | A27-S29 PolarHBondContact O-N 3.3Å; S29-A31 PolarHBondContact O-N 3.22Å |
| 30 | P | 50.2 | Low | 51.4 | Low | 133 Ų | 133 | 137.5 Ų | 137.5 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | | | trans | -66.6 | 116.3 | 178.2 | 26.8 | -32.9 | 0 | 0 | 0 | 111.5 | K32 | P30-K32 PolarHBondContact O-N 3.47Š|
| 31 | A | 48.1 | Very low | 50.2 | Low | 87 Ų | 87 | 141.2 Ų | 141.2 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | | | trans | -82.4 | 116.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | S29 | S29-A31 PolarHBondContact O-N 3.22Š|
| 32 | K | 45.8 | Very low | 49.1 | Very low | 199 Ų | 199 | 134 Ų | 134 | 87% | 0.865 | 80% | 0.795 | S | S | * | * | | | trans | 69.7 | 94.9 | 142.9 | -57.1 | 173.6 | -178.7 | 176.4 | 0 | 118.2 | P30 | P30-K32 PolarHBondContact O-N 3.47Š|
| 33 | S | 38.3 | Very low | 48.2 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | trans | -72.9 | 176 | 131.7 | 61.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 34 | P | 44.4 | Very low | 46.6 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | | | cis | -129.1 | 159.5 | -14.6 | 38 | -22.8 | 0 | 0 | 0 | 112.4 | | |
| 35 | A | 46.9 | Very low | 45.6 | Very low | 97 Ų | 97 | 138.8 Ų | 138.8 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | | | trans | -159.5 | 110 | 157.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 36 | K | 43.4 | Very low | 45 | Very low | 198 Ų | 198 | 138.5 Ų | 138.5 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | | | trans | 53.3 | 104.7 | 137.9 | -74.8 | 174.5 | 174.9 | 175.4 | 0 | 119.4 | P38 | K36-P38 WeakPolarHBondContact O-CD 3.38Š|
| 37 | S | 36.9 | Very low | 44.2 | Very low | 107 Ų | 107 | 139.1 Ų | 139.1 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | | | trans | -34.3 | 133.2 | 143.3 | -177.5 | 0 | 0 | 0 | 0 | 114.7 | R39 | S37-R39 PolarHBondContact OG-N 3.28Š|
| 38 | P | 60.7 | Low | 43.6 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | trans | -109.4 | 106.9 | 140.6 | -9.9 | 29.7 | 0 | 0 | 0 | 110.7 | K36 R40 | K36-P38 WeakPolarHBondContact O-CD 3.38Å; P38-R40 PolarHBondContact O-N 3.16Å |
| 39 | R | 41.5 | Very low | 43.2 | Very low | 203 Ų | 203 | 141.1 Ų | 141.1 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | | | trans | -71.2 | 101.5 | 165 | -173.8 | -177.2 | -164.4 | 175.8 | 5 | 108.5 | S37 K41 | S37-R39 PolarHBondContact OG-N 3.28Å; R39-K41 HydrophobicContact CG-CG 4.38Å |
| 40 | R | 50 | Low | 42.9 | Very low | 238 Ų | 238 | 141.6 Ų | 141.6 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | | | trans | -95.1 | 105.6 | 162.8 | -80.4 | -174.2 | 172.6 | 163.8 | -1.4 | 109.1 | P38 | P38-R40 PolarHBondContact O-N 3.16Š|
| 41 | K | 40 | Very low | 42.5 | Very low | 170 Ų | 170 | 141.5 Ų | 141.5 | 74% | 0.739 | 78% | 0.775 | S | S | * | * | | | trans | -90 | 115.5 | 159.7 | -75.3 | -118.3 | -175.7 | -175.9 | 0 | 106.9 | R39 | R39-K41 HydrophobicContact CG-CG 4.38Š|
| 42 | S | 44.7 | Very low | 42.3 | Very low | 97 Ų | 97 | 143.6 Ų | 143.6 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | | | trans | -166.3 | 113.8 | 155.3 | 58.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 43 | T | 39.4 | Very low | 42.6 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | trans | 42.5 | 104.3 | 137.2 | 42.3 | 0 | 0 | 0 | 0 | 117.5 | | |
| 44 | E | 34.7 | Very low | 43 | Very low | 157 Ų | 157 | 142.5 Ų | 142.5 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | | | | 69.8 | 114 | 77.7 | -168.8 | 170.5 | -178.6 | 0 | 0 | 113.1 | | |
| 45 | Q | 36.2 | Very low | 43.2 | Very low | 168 Ų | 168 | 142 Ų | 142 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | trans | 70 | 95.4 | 159.8 | -67.2 | 178.8 | 48.5 | 0 | 0 | 118.8 | | |
| 46 | A | 39 | Very low | 43.4 | Very low | 94 Ų | 94 | 145.5 Ų | 145.5 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | | | trans | -138.7 | 95.9 | 139.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | T48 | A46-T48 PolarHBondContact O-N 3.26Å; A46-T48 VanDerWaalsContact O-N 3.16Å |
| 47 | K | 39.7 | Very low | 43.7 | Very low | 201 Ų | 201 | 144.8 Ų | 144.8 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | | | trans | -76.8 | 87.3 | 172 | -164.1 | 178.3 | -170.4 | -177.4 | 0 | 106.5 | | |
| 48 | T | 40.4 | Very low | 44.3 | Very low | 117 Ų | 117 | 144 Ų | 144 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | | | trans | -116.1 | 92.4 | 165.6 | 52.1 | 0 | 0 | 0 | 0 | 107.5 | A46 S50 | A46-T48 PolarHBondContact O-N 3.26Å; A46-T48 VanDerWaalsContact O-N 3.16Å; T48-S50 VanDerWaalsContact C-N 3.27Å; T48-S50 PolarHBondContact O-N 3.3Å |
| 49 | V | 38.5 | Very low | 43.8 | Very low | 124 Ų | 124 | 146.7 Ų | 146.7 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | | | trans | -55.7 | 99.9 | 151.9 | 173.8 | 0 | 0 | 0 | 0 | 104.9 | | |
| 50 | S | 42.5 | Very low | 44.5 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | trans | -105.3 | 108.2 | 169.1 | 174.8 | 0 | 0 | 0 | 0 | 105.4 | T48 | T48-S50 VanDerWaalsContact C-N 3.27Å; T48-S50 PolarHBondContact O-N 3.3Å |
| 51 | D | 42.9 | Very low | 45 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | | | trans | -48.5 | 145.5 | 171 | -68.4 | -72.3 | 0 | 0 | 0 | 112.9 | | |
| 52 | D | 42.9 | Very low | 45.9 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | | | trans | 62 | 77.9 | 132.9 | -153.6 | 28.2 | 0 | 0 | 0 | 117.4 | E54 | D52-E54 PolarHBondContact OD1-N 3.28Š|
| 53 | T | 51.9 | Low | 46.8 | Very low | 138 Ų | 138 | 140.4 Ų | 140.4 | 85% | 0.847 | 76% | 0.763 | S | S | * | * | | | trans | -97.1 | 84.3 | 142.8 | 56.1 | 0 | 0 | 0 | 0 | 107.5 | S55 | T53-S55 VanDerWaalsContact C-N 3.32Å; T53-S55 PolarHBondContact O-N 3.36Å |
| 54 | E | 46.7 | Very low | 47.7 | Very low | 148 Ų | 148 | 139.8 Ų | 139.8 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | | | trans | -42.7 | 101.6 | 155.9 | -174.2 | -175.9 | 113 | 0 | 0 | 107.3 | D52 Q56 | D52-E54 PolarHBondContact OD1-N 3.28Å; E54-Q56 VanDerWaalsContact C-N 3.31Å; E54-Q56 PolarHBondContact O-N 3.27Å |
| 55 | S | 48.8 | Very low | 49 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | | | trans | -64.2 | 99 | 179.2 | -172.3 | 0 | 0 | 0 | 0 | 106.2 | T53 Q57 | T53-S55 VanDerWaalsContact C-N 3.32Å; T53-S55 PolarHBondContact O-N 3.36Å; S55-Q57 VanDerWaalsContact C-N 3.3Å; S55-Q57 PolarHBondContact O-N 3.29Å |
| 56 | Q | 51.1 | Low | 50.5 | Low | 171 Ų | 171 | 137.2 Ų | 137.2 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | | | trans | -48.7 | 100.4 | 170.2 | -70.4 | -115.7 | -3.9 | 0 | 0 | 107.4 | E54 S58 | E54-Q56 VanDerWaalsContact C-N 3.31Å; E54-Q56 PolarHBondContact O-N 3.27Å; Q56-S58 PolarHBondContact O-N 3.26Å |
| 57 | Q | 49.1 | Very low | 51.8 | Low | 183 Ų | 183 | 140.6 Ų | 140.6 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | | | trans | -67.4 | 88.7 | 175.6 | -166.2 | 177.1 | 0.9 | 0 | 0 | 105 | S55 Q59 | S55-Q57 VanDerWaalsContact C-N 3.3Å; S55-Q57 PolarHBondContact O-N 3.29Å; Q57-Q59 PolarHBondContact O-N 3.04Å |
| 58 | S | 50.8 | Low | 53.1 | Low | 91 Ų | 91 | 139.3 Ų | 139.3 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | | | trans | -53.9 | 106 | 179.3 | -175.7 | 0 | 0 | 0 | 0 | 107.3 | Q56 V60 | Q56-S58 PolarHBondContact O-N 3.26Å; S58-V60 PolarHBondContact O-N 3.14Å |
| 59 | Q | 49.1 | Very low | 54.4 | Low | 172 Ų | 172 | 141.6 Ų | 141.6 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | trans | -69.7 | 70.6 | 168.4 | -66.3 | -166 | -5.6 | 0 | 0 | 107.6 | Q57 K61 | Q57-Q59 PolarHBondContact O-N 3.04Å; Q59-K61 PolarHBondContact O-N 3.09Å |
| 60 | V | 56.2 | Low | 55.5 | Low | 110 Ų | 110 | 144 Ų | 144 | 67% | 0.667 | 78% | 0.777 | S | S | * | * | | | trans | -68.7 | 96.3 | 159.8 | -73 | 0 | 0 | 0 | 0 | 105.9 | S58 S62 | S58-V60 PolarHBondContact O-N 3.14Å; V60-S62 PolarHBondContact O-N 3.32Å |
| 61 | K | 60.7 | Low | 56.3 | Low | 180 Ų | 180 | 141.3 Ų | 141.3 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | | | trans | -60.6 | 87.1 | 159.9 | -65.9 | 172.3 | 179.1 | 177.7 | 0 | 105.7 | Q59 E63 | Q59-K61 PolarHBondContact O-N 3.09Å; K61-E63 VanDerWaalsContact C-N 3.32Å; K61-E63 PolarHBondContact O-N 3.46Å |
| 62 | S | 59.9 | Low | 56.8 | Low | 104 Ų | 104 | 142.4 Ų | 142.4 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | -67.6 | 102.8 | 168.3 | -63.9 | 0 | 0 | 0 | 0 | 106.1 | V60 S64 | V60-S62 PolarHBondContact O-N 3.32Å; S62-S64 PolarHBondContact O-N 3.3Å |
| 63 | E | 62.7 | Low | 57.5 | Low | 183 Ų | 183 | 143.6 Ų | 143.6 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | | | trans | -53.6 | 108.5 | 167.5 | -68.3 | 165.5 | 128 | 0 | 0 | 106.7 | K61 S65 | K61-E63 VanDerWaalsContact C-N 3.32Å; K61-E63 PolarHBondContact O-N 3.46Å; E63-S65 VanDerWaalsContact C-N 3.3Å; E63-S65 PolarHBondContact O-N 3.04Å |
| 64 | S | 57.7 | Low | 58 | Low | 112 Ų | 112 | 143.1 Ų | 143.1 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | | | trans | -64.7 | 94.7 | 174.1 | 55.2 | 0 | 0 | 0 | 0 | 107.8 | S62 M66 | S62-S64 PolarHBondContact O-N 3.3Å; S64-M66 PolarHBondContact O-N 2.98Å |
| 65 | S | 62.7 | Low | 58.1 | Low | 103 Ų | 103 | 141 Ų | 141 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | | | trans | -69.6 | 95.4 | 169.6 | -176.8 | 0 | 0 | 0 | 0 | 107.4 | E63 E67 | E63-S65 VanDerWaalsContact C-N 3.3Å; E63-S65 PolarHBondContact O-N 3.04Å; S65-E67 VanDerWaalsContact C-N 3.33Å; S65-E67 PolarHBondContact O-N 3.36Å; S65-E67 VanDerWaalsContact O-N 3.16Å |
| 66 | M | 67.8 | Low | 57.8 | Low | 169 Ų | 169 | 140.9 Ų | 140.9 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | | | trans | -73 | 95.2 | 162.7 | -77 | -83.2 | -146.1 | 0 | 0 | 105.9 | S64 E68 | S64-M66 PolarHBondContact O-N 2.98Å; M66-E68 PolarHBondContact O-N 3.37Å; M66-E68 VanDerWaalsContact O-N 3.07Å |
| 67 | E | 65.3 | Low | 57.7 | Low | 165 Ų | 165 | 138.7 Ų | 138.7 | 77% | 0.771 | 77% | 0.773 | S | S | * | * | | | trans | -60.8 | 110.6 | 165.4 | -156.5 | 96.4 | 177 | 0 | 0 | 106.4 | S65 L69 | S65-E67 VanDerWaalsContact C-N 3.33Å; S65-E67 PolarHBondContact O-N 3.36Å; S65-E67 VanDerWaalsContact O-N 3.16Å; E67-L69 PolarHBondContact O-N 3.34Å |
| 68 | E | 68 | Low | 57.5 | Low | 174 Ų | 174 | 138.8 Ų | 138.8 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | | | trans | -63.2 | 100.4 | 179.9 | -56.8 | -177.7 | 156.6 | 0 | 0 | 107.6 | M66 N70 | M66-E68 PolarHBondContact O-N 3.37Å; M66-E68 VanDerWaalsContact O-N 3.07Å; E68-N70 PolarHBondContact O-N 3.29Å |
| 69 | L | 67.7 | Low | 57.1 | Low | 164 Ų | 164 | 142.2 Ų | 142.2 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | | | trans | -56.7 | 118 | 171.4 | -67.3 | 174.3 | 0 | 0 | 0 | 106.6 | E67 G71 | E67-L69 PolarHBondContact O-N 3.34Å; L69-G71 PolarHBondContact O-N 3.17Å |
| 70 | N | 62.1 | Low | 57.1 | Low | 175 Ų | 175 | 139.5 Ų | 139.5 | 94% | 0.936 | 78% | 0.782 | S | S | * | * | | | trans | -61.5 | 68.1 | 170 | -74.1 | -53.9 | 0 | 0 | 0 | 109.7 | E68 I72 | E68-N70 PolarHBondContact O-N 3.29Å; N70-I72 PolarHBondContact O-N 3.34Å |
| 71 | G | 58.8 | Low | 56.5 | Low | 53 Ų | 53 | 142.3 Ų | 142.3 | 55% | 0.546 | 79% | 0.788 | S | S | . | * | | | trans | -82.6 | 110.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | L69 D73 | L69-G71 PolarHBondContact O-N 3.17Å; G71-D73 PolarHBondContact O-N 3.23Å; G71-D73 VanDerWaalsContact O-N 3.09Å |
| 72 | I | 53.4 | Low | 55.9 | Low | 155 Ų | 155 | 140.4 Ų | 140.4 | 80% | 0.795 | 79% | 0.785 | S | S | * | * | | | trans | -43.7 | 115.9 | 172.9 | -170.4 | 78.2 | 0 | 0 | 0 | 110.2 | N70 T74 | N70-I72 PolarHBondContact O-N 3.34Å; I72-T74 PolarHBondContact O-N 3.41Å |
| 73 | D | 58.1 | Low | 55.2 | Low | 157 Ų | 157 | 141 Ų | 141 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | | | trans | -63.5 | 92.5 | 175.2 | -69.2 | -53.5 | 0 | 0 | 0 | 109.5 | G71 S75 | G71-D73 PolarHBondContact O-N 3.23Å; G71-D73 VanDerWaalsContact O-N 3.09Å; D73-S75 VanDerWaalsContact C-N 3.27Å; D73-S75 PolarHBondContact O-N 3.16Å |
| 74 | T | 62.4 | Low | 54.7 | Low | 127 Ų | 127 | 140.3 Ų | 140.3 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | | | trans | -78.2 | 90.3 | 162.5 | 55.9 | 0 | 0 | 0 | 0 | 107.6 | I72 S76 | I72-T74 PolarHBondContact O-N 3.41Å; T74-S76 PolarHBondContact O-N 3.19Å |
| 75 | S | 46.9 | Very low | 53.7 | Low | 104 Ų | 104 | 140.9 Ų | 140.9 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | trans | -42 | 127.8 | 171.9 | 55.4 | 0 | 0 | 0 | 0 | 113.3 | D73 | D73-S75 VanDerWaalsContact C-N 3.27Å; D73-S75 PolarHBondContact O-N 3.16Å |
| 76 | S | 44 | Very low | 53 | Low | 106 Ų | 106 | 144 Ų | 144 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | | | trans | -12.5 | 131.5 | 156.2 | 59.2 | 0 | 0 | 0 | 0 | 117.8 | T74 | T74-S76 PolarHBondContact O-N 3.19Š|
| 77 | V | 48.5 | Very low | 52 | Low | 126 Ų | 126 | 141.3 Ų | 141.3 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | | | trans | -155.2 | 125.1 | 141.1 | 173 | 0 | 0 | 0 | 0 | 110.4 | | |
| 78 | K | 45.9 | Very low | 50.7 | Low | 185 Ų | 185 | 142.7 Ų | 142.7 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | 86.2 | 86.8 | 159.6 | -74.3 | 162.5 | -168.1 | -179.4 | 0 | 118.6 | S80 | K78-S80 PolarHBondContact O-N 2.95Š|
| 79 | D | 42.4 | Very low | 49.5 | Very low | 162 Ų | 162 | 141 Ų | 141 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | | | trans | -41.5 | 114.8 | 139.8 | -52.8 | -65.1 | 0 | 0 | 0 | 111.2 | | |
| 80 | S | 47.1 | Very low | 49.1 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | trans | -115.3 | 78.3 | 155.2 | 67.1 | 0 | 0 | 0 | 0 | 107.7 | K78 L82 | K78-S80 PolarHBondContact O-N 2.95Å; S80-L82 PolarHBondContact O-N 3.44Å; S80-L82 VanDerWaalsContact O-N 3.09Å |
| 81 | E | 45.1 | Very low | 48.1 | Very low | 170 Ų | 170 | 138.1 Ų | 138.1 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | | | trans | -65.5 | 95.2 | 164.8 | -169.5 | 176.5 | -171.5 | 0 | 0 | 108 | T83 | E81-T83 HydrophobicContact CG-CG2 4.49Š|
| 82 | L | 47 | Very low | 47.4 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | | | trans | -122.5 | 81.3 | 161.5 | -166.7 | 76.4 | 0 | 0 | 0 | 108.2 | S80 H84 | S80-L82 PolarHBondContact O-N 3.44Å; S80-L82 VanDerWaalsContact O-N 3.09Å; L82-H84 VanDerWaalsContact C-N 3.32Å; L82-H84 PolarHBondContact O-N 2.89Å |
| 83 | T | 45.6 | Very low | 47.1 | Very low | 117 Ų | 117 | 147.6 Ų | 147.6 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | | | trans | -58.6 | 88.1 | 164.5 | 38.4 | 0 | 0 | 0 | 0 | 109.9 | E81 D85 | E81-T83 HydrophobicContact CG-CG2 4.49Å; T83-D85 VanDerWaalsContact C-N 3.31Å; T83-D85 PolarHBondContact O-N 3.44Å; T83-D85 VanDerWaalsContact O-N 3.11Å |
| 84 | H | 52.4 | Low | 46.6 | Very low | 167 Ų | 167 | 145.6 Ų | 145.6 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | trans | -81.7 | 88.9 | 162.8 | -108.9 | -67.1 | 0 | 0 | 0 | 109.4 | L82 L86 | L82-H84 VanDerWaalsContact C-N 3.32Å; L82-H84 PolarHBondContact O-N 2.89Å; H84-L86 PolarHBondContact O-N 2.74Å |
| 85 | D | 37.6 | Very low | 45.7 | Very low | 124 Ų | 124 | 149.6 Ų | 149.6 | 66% | 0.663 | 78% | 0.782 | S | S | * | * | | | trans | -23.3 | 113.1 | 167.9 | -159.8 | 9.2 | 0 | 0 | 0 | 115.5 | T83 T87 | T83-D85 VanDerWaalsContact C-N 3.31Å; T83-D85 PolarHBondContact O-N 3.44Å; T83-D85 VanDerWaalsContact O-N 3.11Å; D85-T87 VanDerWaalsContact C-N 3.27Å; D85-T87 PolarHBondContact O-N 3.42Å |
| 86 | L | 46.7 | Very low | 45.5 | Very low | 170 Ų | 170 | 151 Ų | 151 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | | | trans | -64 | 82.6 | 166.1 | -85.1 | 101.7 | 0 | 0 | 0 | 110.1 | H84 K88 | H84-L86 PolarHBondContact O-N 2.74Å; L86-K88 PolarHBondContact O-N 2.91Å |
| 87 | T | 48.1 | Very low | 45.2 | Very low | 112 Ų | 112 | 152.1 Ų | 152.1 | 69% | 0.687 | 78% | 0.783 | S | S | * | * | | | trans | -85.9 | 90 | 172.6 | 35.9 | 0 | 0 | 0 | 0 | 111.3 | D85 | D85-T87 VanDerWaalsContact C-N 3.27Å; D85-T87 PolarHBondContact O-N 3.42Å |
| 88 | K | 36.5 | Very low | 45.2 | Very low | 193 Ų | 193 | 154.5 Ų | 154.5 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | | | trans | 42 | 105 | 140.2 | -70.4 | 173.7 | 178.8 | 175.3 | 0 | 118.4 | L86 P90 | L86-K88 PolarHBondContact O-N 2.91Å; K88-P90 WeakPolarHBondContact O-CD 3.34Å |
| 89 | I | 44.3 | Very low | 44.8 | Very low | 138 Ų | 138 | 154.9 Ų | 154.9 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | | | trans | -63.1 | 124.8 | 157.7 | -59.2 | 162.5 | 0 | 0 | 0 | 110.3 | | |
| 90 | P | 58.1 | Low | 44.7 | Very low | 115 Ų | 115 | 152.3 Ų | 152.3 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | | | trans | -92.4 | 109.7 | 160.6 | 28.9 | -21 | 0 | 0 | 0 | 110.3 | K88 K92 | K88-P90 WeakPolarHBondContact O-CD 3.34Å; P90-K92 PolarHBondContact O-N 3.2Å; P90-K92 VanDerWaalsContact O-N 3.07Å |
| 91 | H | 42.5 | Very low | 44.5 | Very low | 164 Ų | 164 | 154.3 Ų | 154.3 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | | | trans | -64.8 | 100.1 | 172.2 | -54.4 | -88.5 | 0 | 0 | 0 | 110.6 | | |
| 92 | K | 43.8 | Very low | 44.2 | Very low | 202 Ų | 202 | 153.7 Ų | 153.7 | 88% | 0.878 | 79% | 0.787 | S | S | * | * | | | trans | -85.2 | 111.9 | 166.1 | -94.3 | -168 | 175 | 179.9 | 0 | 109.9 | P90 | P90-K92 PolarHBondContact O-N 3.2Å; P90-K92 VanDerWaalsContact O-N 3.07Å |
| 93 | K | 45.4 | Very low | 43.7 | Very low | 205 Ų | 205 | 153.3 Ų | 153.3 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | | | trans | -75.1 | 123.6 | 166.2 | -61.4 | -158.4 | 176.3 | -172 | 0 | 109.2 | | |
| 94 | T | 48 | Very low | 43.6 | Very low | 116 Ų | 116 | 155.8 Ų | 155.8 | 71% | 0.712 | 79% | 0.788 | S | S | * | * | | | trans | -125.8 | 109.8 | 159.9 | -61.3 | 0 | 0 | 0 | 0 | 107.8 | V96 | T94-V96 HydrophobicContact CG2-CG2 3.85Š|
| 95 | K | 43.7 | Very low | 43.2 | Very low | 211 Ų | 211 | 155 Ų | 155 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | | | trans | -71.6 | 116 | 159.1 | -85.9 | 178.2 | 168.7 | -175.8 | 0 | 106.6 | | |
| 96 | V | 44 | Very low | 43.3 | Very low | 132 Ų | 132 | 155.9 Ų | 155.9 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | | | trans | -119.8 | 116.5 | 156.1 | 165.8 | 0 | 0 | 0 | 0 | 106.8 | T94 | T94-V96 HydrophobicContact CG2-CG2 3.85Š|
| 97 | D | 36 | Very low | 43.2 | Very low | 131 Ų | 131 | 152.2 Ų | 152.2 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | | | trans | -80.1 | 156.1 | 176.3 | 173.4 | 37.1 | 0 | 0 | 0 | 109.5 | | |
| 98 | K | 48.2 | Very low | 42.6 | Very low | 175 Ų | 175 | 155 Ų | 155 | 76% | 0.761 | 80% | 0.802 | S | S | * | * | | | trans | 90.2 | 98 | 170.6 | -62.4 | 177.8 | -179.7 | 167.9 | 0 | 118.7 | S100 | K98-S100 PolarHBondContact O-N 3.45Š|
| 99 | E | 38.8 | Very low | 42.7 | Very low | 194 Ų | 194 | 153.9 Ų | 153.9 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | | | trans | -39.5 | 120.1 | 139 | -68.2 | 164.9 | 147.1 | 0 | 0 | 110.7 | | |
| 100 | S | 40.1 | Very low | 42.3 | Very low | 108 Ų | 108 | 154.4 Ų | 154.4 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | | | trans | -129 | 100.7 | 153.1 | 68.9 | 0 | 0 | 0 | 0 | 107 | K98 D102 | K98-S100 PolarHBondContact O-N 3.45Å; S100-D102 PolarHBondContact O-N 2.86Å |
| 101 | D | 42.4 | Very low | 41.4 | Very low | 156 Ų | 156 | 157.2 Ų | 157.2 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | | | trans | -63.6 | 106.4 | 160.6 | -73.6 | -40 | 0 | 0 | 0 | 107.7 | | |
| 102 | D | 39.7 | Very low | 41.1 | Very low | 158 Ų | 158 | 156.3 Ų | 156.3 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | | | trans | -139.6 | 101.9 | 154.5 | -107.2 | -35.4 | 0 | 0 | 0 | 107.2 | S100 | S100-D102 PolarHBondContact O-N 2.86Š|
| 103 | D | 36.9 | Very low | 41.1 | Very low | 132 Ų | 132 | 155.4 Ų | 155.4 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | | | trans | -54.5 | 151.6 | 165.8 | -79.2 | -55.7 | 0 | 0 | 0 | 110.9 | | |
| 104 | H | 42.4 | Very low | 41.1 | Very low | 169 Ų | 169 | 150.3 Ų | 150.3 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | | | trans | 106.8 | 141.6 | 158.2 | -50.3 | -51.9 | 0 | 0 | 0 | 117.5 | | |
| 105 | L | 43.3 | Very low | 40.6 | Very low | 150 Ų | 150 | 152.9 Ų | 152.9 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | 93.9 | 83.2 | 162.6 | -46.6 | -178.6 | 0 | 0 | 0 | 114.2 | S107 | L105-S107 VanDerWaalsContact C-N 3.33Å; L105-S107 PolarHBondContact O-N 3.04Å |
| 106 | C | 40.5 | Very low | 40.4 | Very low | 142 Ų | 142 | 149.7 Ų | 149.7 | 96% | 0.959 | 78% | 0.781 | S | S | * | * | | | trans | -35.7 | 101 | 141.2 | -73.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 107 | S | 44.4 | Very low | 40.3 | Very low | 94 Ų | 94 | 148.9 Ų | 148.9 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | | | trans | -115.1 | 102.7 | 163.6 | -69.7 | 0 | 0 | 0 | 0 | 106 | L105 H109 | L105-S107 VanDerWaalsContact C-N 3.33Å; L105-S107 PolarHBondContact O-N 3.04Å; S107-H109 VanDerWaalsContact C-N 3.31Å; S107-H109 PolarHBondContact O-N 3.42Å |
| 108 | D | 36.5 | Very low | 40.6 | Very low | 169 Ų | 169 | 151.1 Ų | 151.1 | 90% | 0.904 | 78% | 0.783 | S | S | * | * | | | trans | -49.5 | 97.5 | 159 | -88.7 | -39.7 | 0 | 0 | 0 | 108.8 | | |
| 109 | H | 37.1 | Very low | 40.4 | Very low | 170 Ų | 170 | 151.4 Ų | 151.4 | 79% | 0.787 | 79% | 0.786 | S | S | * | * | | | trans | -133.7 | 85 | 162 | -105.6 | -64.2 | 0 | 0 | 0 | 108.4 | S107 | S107-H109 VanDerWaalsContact C-N 3.31Å; S107-H109 PolarHBondContact O-N 3.42Å |
| 110 | E | 36.4 | Very low | 40.7 | Very low | 149 Ų | 149 | 148.4 Ų | 148.4 | 70% | 0.696 | 78% | 0.777 | S | S | * | * | | | | 15.3 | 124 | 124.9 | -134 | -178.1 | 123.5 | 0 | 0 | 115.5 | | |
| 111 | K | 39.3 | Very low | 41 | Very low | 174 Ų | 174 | 150.3 Ų | 150.3 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | | | trans | 81.6 | 76 | 158.2 | -44.9 | -174.8 | -168.1 | 172.1 | 0 | 116.7 | | |
| 112 | N | 37 | Very low | 41.2 | Very low | 146 Ų | 146 | 148.4 Ų | 148.4 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | | | trans | -129.5 | 87.2 | 132.4 | -156.1 | 21.9 | 0 | 0 | 0 | 109.1 | V114 | N112-V114 PolarHBondContact O-N 3.29Š|
| 113 | E | 42.6 | Very low | 41.5 | Very low | 183 Ų | 183 | 145.4 Ų | 145.4 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | | | trans | -64.9 | 79.7 | 161.7 | -169.5 | 179.3 | -170.1 | 0 | 0 | 107.2 | | |
| 114 | V | 45.6 | Very low | 42.3 | Very low | 97 Ų | 97 | 144.4 Ų | 144.4 | 59% | 0.588 | 76% | 0.758 | S | S | * | * | | | trans | -103.7 | 86.7 | 158.7 | 175.7 | 0 | 0 | 0 | 0 | 105.4 | N112 L116 | N112-V114 PolarHBondContact O-N 3.29Å; V114-L116 PolarHBondContact O-N 3.1Å |
| 115 | E | 37.7 | Very low | 42.5 | Very low | 170 Ų | 170 | 142 Ų | 142 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | | | trans | -39.1 | 85 | 159.6 | -167.3 | 176.3 | -167.2 | 0 | 0 | 110 | P117 | E115-P117 WeakPolarHBondContact O-CD 3.48Š|
| 116 | L | 39.2 | Very low | 42.8 | Very low | 144 Ų | 144 | 140.8 Ų | 140.8 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | | | trans | -68.5 | 119 | 156.9 | -85.2 | 138.6 | 0 | 0 | 0 | 104.9 | V114 K118 | V114-L116 PolarHBondContact O-N 3.1Å; L116-K118 PolarHBondContact O-N 2.96Å |
| 117 | P | 41.8 | Very low | 43.1 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | | | trans | -62.1 | 99.8 | 167.4 | -5.9 | 21 | 0 | 0 | 0 | 104.4 | E115 E119 | E115-P117 WeakPolarHBondContact O-CD 3.48Å; P117-E119 PolarHBondContact O-N 2.99Å |
| 118 | K | 42.6 | Very low | 43.5 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 77% | 0.774 | 72% | 0.723 | S | S | * | * | | | trans | -54.4 | 111.7 | 149.6 | -70.7 | -170.4 | 177.1 | -174.3 | 0 | 102.5 | L116 N120 | L116-K118 PolarHBondContact O-N 2.96Å; K118-N120 PolarHBondContact O-N 3.28Å |
| 119 | E | 44.2 | Very low | 44.2 | Very low | 180 Ų | 180 | 138.6 Ų | 138.6 | 84% | 0.841 | 71% | 0.712 | S | S | * | * | | | trans | -45.3 | 93.1 | 149.7 | -84.8 | 175.1 | 129.4 | 0 | 0 | 104.1 | P117 D121 | P117-E119 PolarHBondContact O-N 2.99Å; E119-D121 PolarHBondContact O-N 2.99Å |
| 120 | N | 44.9 | Very low | 45.1 | Very low | 132 Ų | 132 | 135.4 Ų | 135.4 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | | | trans | -61.3 | 87.8 | 147.5 | -65.3 | -66.2 | 0 | 0 | 0 | 100.7 | K118 T122 | K118-N120 PolarHBondContact O-N 3.28Å; N120-T122 VanDerWaalsContact O-CA 3.23Å; N120-T122 WeakPolarHBondContact O-CA 3.35Å; N120-T122 PolarHBondContact O-N 2.85Å |
| 121 | D | 46 | Very low | 46 | Very low | 147 Ų | 147 | 134.3 Ų | 134.3 | 79% | 0.786 | 71% | 0.708 | S | S | * | * | | | trans | -31 | 104.6 | 151.1 | -112.4 | -32.4 | 0 | 0 | 0 | 103 | E119 V123 | E119-D121 PolarHBondContact O-N 2.99Å; D121-V123 VanDerWaalsContact C-N 3.26Å; D121-V123 PolarHBondContact O-N 3.05Å |
| 122 | T | 47 | Very low | 46.8 | Very low | 117 Ų | 117 | 132 Ų | 132 | 72% | 0.718 | 71% | 0.709 | S | S | * | * | | | trans | -45 | 106 | -160.7 | -8.8 | 0 | 0 | 0 | 0 | 103.8 | N120 V124 | N120-T122 VanDerWaalsContact O-CA 3.23Å; N120-T122 WeakPolarHBondContact O-CA 3.35Å; N120-T122 PolarHBondContact O-N 2.85Å; T122-V124 PolarHBondContact O-N 3.08Å |
| 123 | V | 46.3 | Very low | 48 | Very low | 95 Ų | 95 | 128.9 Ų | 128.9 | 58% | 0.576 | 70% | 0.695 | S | S | * | * | | | trans | -60.6 | 91.6 | 153 | 177.6 | 0 | 0 | 0 | 0 | 97.8 | D121 N125 | D121-V123 VanDerWaalsContact C-N 3.26Å; D121-V123 PolarHBondContact O-N 3.05Å; V123-N125 HydrophobicContact CG1-CB 4.46Å; V123-N125 VanDerWaalsContact CG1-CG 3.48Å; V123-N125 VanDerWaalsContact CG1-OD1 3.26Å; V123-N125 WeakPolarHBondContact CG1-OD1 3.31Å; V123-N125 PolarHBondContact O-N 3.11Å; V123-N125 PolarHBondContact O-ND2 3.43Å |
| 124 | V | 52.6 | Low | 48.7 | Very low | 110 Ų | 110 | 125.7 Ų | 125.7 | 67% | 0.667 | 69% | 0.693 | S | S | * | * | | | trans | -59.3 | 76.6 | 152.1 | 178.8 | 0 | 0 | 0 | 0 | 99.9 | T122 Q126 | T122-V124 PolarHBondContact O-N 3.08Å; V124-Q126 HydrophobicContact CG1-CB 3.9Å; V124-Q126 PolarHBondContact O-N 3.05Å |
| 125 | N | 47.3 | Very low | 49.8 | Very low | 120 Ų | 120 | 125.9 Ų | 125.9 | 64% | 0.642 | 70% | 0.695 | S | S | * | * | | | trans | -53.1 | 72.1 | 131.6 | -58.7 | -60.3 | 0 | 0 | 0 | 102.2 | V123 T127 | V123-N125 HydrophobicContact CG1-CB 4.46Å; V123-N125 VanDerWaalsContact CG1-CG 3.48Å; V123-N125 VanDerWaalsContact CG1-OD1 3.26Å; V123-N125 WeakPolarHBondContact CG1-OD1 3.31Å; V123-N125 PolarHBondContact O-N 3.11Å; V123-N125 PolarHBondContact O-ND2 3.43Å; N125-T127 PolarHBondContact O-N 3.25Å |
| 126 | Q | 50.1 | Low | 51.9 | Low | 123 Ų | 123 | 125.8 Ų | 125.8 | 58% | 0.575 | 70% | 0.699 | S | S | * | * | | | | -56.5 | 77 | 124.2 | -156.7 | 174.5 | 46.3 | 0 | 0 | 102.7 | V124 Q128 | V124-Q126 HydrophobicContact CG1-CB 3.9Å; V124-Q126 PolarHBondContact O-N 3.05Å; Q126-Q128 HydrophobicContact CG-CB 3.89Å; Q126-Q128 HydrophobicContact CG-CG 3.94Å; Q126-Q128 PolarHBondContact O-N 3.4Å |
| 127 | T | 46.6 | Very low | 54.1 | Low | 98 Ų | 98 | 127 Ų | 127 | 60% | 0.601 | 70% | 0.699 | S | S | * | * | | | trans | -47.4 | 70.8 | 130.7 | -44.5 | 0 | 0 | 0 | 0 | 103.6 | N125 D129 | N125-T127 PolarHBondContact O-N 3.25Å; T127-D129 PolarHBondContact O-N 2.78Å |
| 128 | Q | 53.5 | Low | 56.3 | Low | 134 Ų | 134 | 129.9 Ų | 129.9 | 63% | 0.626 | 70% | 0.702 | S | S | * | * | | | trans | -69.6 | 88.5 | 156.2 | -132.2 | -175.9 | -24.2 | 0 | 0 | 99.3 | Q126 S130 | Q126-Q128 HydrophobicContact CG-CB 3.89Å; Q126-Q128 HydrophobicContact CG-CG 3.94Å; Q126-Q128 PolarHBondContact O-N 3.4Å; Q128-S130 VanDerWaalsContact C-N 3.3Å; Q128-S130 PolarHBondContact O-N 3.08Å |
| 129 | D | 49.9 | Very low | 58.4 | Low | 128 Ų | 128 | 127.3 Ų | 127.3 | 68% | 0.684 | 70% | 0.701 | S | S | * | * | | | trans | -32.8 | 111.5 | 158.5 | -68.4 | -49.6 | 0 | 0 | 0 | 104.2 | T127 N131 | T127-D129 PolarHBondContact O-N 2.78Å; D129-N131 PolarHBondContact O-N 3.09Å |
| 130 | S | 56.5 | Low | 60.5 | Low | 102 Ų | 102 | 123 Ų | 123 | 71% | 0.713 | 69% | 0.687 | S | S | * | * | | | trans | -65.1 | 71.6 | 177.2 | 30.7 | 0 | 0 | 0 | 0 | 105.3 | Q128 T132 | Q128-S130 VanDerWaalsContact C-N 3.3Å; Q128-S130 PolarHBondContact O-N 3.08Å; S130-T132 PolarHBondContact O-N 3.09Å; S130-T132 PolarHBondContact O-OG1 3.01Å |
| 131 | N | 54.9 | Low | 62.8 | Low | 127 Ų | 127 | 123.3 Ų | 123.3 | 68% | 0.679 | 68% | 0.684 | S | S | * | * | | | trans | -69.9 | 79.1 | 162.5 | -155 | 2.7 | 0 | 0 | 0 | 102.8 | D129 T133 | D129-N131 PolarHBondContact O-N 3.09Å; N131-T133 PolarHBondContact O-N 3.26Å; N131-T133 PolarHBondContact O-OG1 3.02Å; N131-T133 WeakPolarHBondContact OD1-CG2 3.49Å |
| 132 | T | 57.4 | Low | 64.8 | Low | 125 Ų | 125 | 124.3 Ų | 124.3 | 77% | 0.767 | 68% | 0.684 | S | S | * | * | | | trans | -66.6 | 34.9 | 178.9 | 37.1 | 0 | 0 | 0 | 0 | 110.2 | S130 S134 | S130-T132 PolarHBondContact O-N 3.09Å; S130-T132 PolarHBondContact O-OG1 3.01Å; T132-S134 PolarHBondContact O-N 2.78Å |
| 133 | T | 60.5 | Low | 66.9 | Low | 80 Ų | 80 | 123.4 Ų | 123.4 | 49% | 0.491 | 68% | 0.682 | S | S | . | * | | | trans | -71.8 | 80.8 | 170.1 | 51.6 | 0 | 0 | 0 | 0 | 107.9 | N131 T135 | N131-T133 PolarHBondContact O-N 3.26Å; N131-T133 PolarHBondContact O-OG1 3.02Å; N131-T133 WeakPolarHBondContact OD1-CG2 3.49Å; T133-T135 PolarHBondContact O-N 2.66Å; T133-T135 PolarHBondContact O-OG1 2.76Å |
| 134 | S | 58.8 | Low | 69.1 | Low | 117 Ų | 117 | 122.4 Ų | 122.4 | 82% | 0.818 | 68% | 0.68 | S | S | * | * | | | trans | 52.1 | 32 | 131.4 | 68 | 0 | 0 | 0 | 0 | 117.3 | T132 | T132-S134 PolarHBondContact O-N 2.78Š|
| 135 | T | 67.5 | Low | 71 | Confident | 101 Ų | 101 | 121.4 Ų | 121.4 | 62% | 0.62 | 67% | 0.674 | S | S | * | * | | | trans | -101.9 | 117.4 | 175.4 | -39 | 0 | 0 | 0 | 0 | 107.2 | T133 F137 | T133-T135 PolarHBondContact O-N 2.66Å; T133-T135 PolarHBondContact O-OG1 2.76Å; T135-F137 HydrophobicContact CG2-CD2 3.52Å; T135-F137 HydrophobicContact CG2-CE2 4.18Å; T135-F137 HydrophobicContact CG2-CG 4.49Å; T135-F137 PolarHBondContact O-N 2.74Å |
| 136 | D | 82.1 | Confident | 73.3 | Confident | 168 Ų | 168 | 118.5 Ų | 118.5 | 90% | 0.898 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -65.9 | 20.3 | -177.6 | -127.9 | 7.7 | 0 | 0 | 0 | 113.2 | | |
| 137 | F | 86.3 | Confident | 75.4 | Confident | 168 Ų | 168 | 116 Ų | 116 | 74% | 0.737 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -115.1 | 131.6 | -178.6 | -61.4 | -66.4 | 0 | 0 | 0 | 109.9 | T135 V139 | T135-F137 HydrophobicContact CG2-CD2 3.52Å; T135-F137 HydrophobicContact CG2-CE2 4.18Å; T135-F137 HydrophobicContact CG2-CG 4.49Å; T135-F137 PolarHBondContact O-N 2.74Å; F137-V139 PolarHBondContact O-N 2.74Å |
| 138 | E | 87.5 | Confident | 77.6 | Confident | 178 Ų | 178 | 116.6 Ų | 116.6 | 83% | 0.832 | 66% | 0.661 | S | S | * | * | | | trans | -66.8 | 121.6 | 170.5 | -175.4 | 173.8 | 178.5 | 0 | 0 | 109.4 | V140 | E138-V140 PolarHBondContact O-N 3.39Š|
| 139 | V | 87.6 | Confident | 79.5 | Confident | 124 Ų | 124 | 115.2 Ų | 115.2 | 75% | 0.752 | 66% | 0.658 | S | S | * | * | | | trans | -79.4 | 112.5 | 171.7 | 179.6 | 0 | 0 | 0 | 0 | 107.5 | F137 | F137-V139 PolarHBondContact O-N 2.74Š|
| 140 | V | 88.3 | Confident | 81.7 | Confident | 90 Ų | 90 | 110.2 Ų | 110.2 | 55% | 0.545 | 63% | 0.633 | S | S | . | * | | | trans | -82.6 | 125.7 | 175.1 | 178.5 | 0 | 0 | 0 | 0 | 108.9 | E138 S144 V145 | E138-V140 PolarHBondContact O-N 3.39Å; V140-S144 WeakPolarHBondContact CG1-OG 3.48Å; V140-V145 HydrophobicContact CG1-CG2 4.37Å |
| 141 | E | 91.8 | Very high | 83.5 | Confident | 137 Ų | 137 | 109.3 Ų | 109.3 | 64% | 0.64 | 63% | 0.632 | S | S | * | * | | | trans | -68 | 139.7 | 177 | -62.1 | -176.8 | -178.4 | 0 | 0 | 111 | S143 S144 | E141-S143 VanDerWaalsContact CB-OG 3.31Å; E141-S143 WeakPolarHBondContact CB-OG 3.44Å; E141-S143 PolarHBondContact O-N 2.89Å; E141-S143 PolarHBondContact OE2-OG 2.97Å; E141-S143 VanDerWaalsContact OE2-OG 3.07Å; E141-S144 WeakPolarHBondContact O-CB 3.5Å; E141-S144 PolarHBondContact O-N 3.37Å; E141-S144 PolarHBondContact O-OG 2.88Å |
| 142 | H | 88.4 | Confident | 85.4 | Confident | 169 Ų | 169 | 110.1 Ų | 110.1 | 78% | 0.782 | 63% | 0.631 | S | S | * | * | G | 310 helix | trans | -59.4 | -29.4 | 176.2 | -67.3 | -63.3 | 0 | 0 | 0 | 113.2 | S144 V145 | H142-S144 PolarHBondContact O-N 3.08Å; H142-V145 PolarHBondContact O-N 3.33Å |
| 143 | S | 91.7 | Very high | 87.1 | Confident | 97 Ų | 97 | 106.1 Ų | 106.1 | 68% | 0.678 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -63.8 | -22.6 | 174.6 | 52.9 | 0 | 0 | 0 | 0 | 113.6 | E141 | E141-S143 VanDerWaalsContact CB-OG 3.31Å; E141-S143 WeakPolarHBondContact CB-OG 3.44Å; E141-S143 PolarHBondContact O-N 2.89Å; E141-S143 PolarHBondContact OE2-OG 2.97Å; E141-S143 VanDerWaalsContact OE2-OG 3.07Å |
| 144 | S | 92.4 | Very high | 88.7 | Confident | 75 Ų | 75 | 108.1 Ų | 108.1 | 52% | 0.524 | 61% | 0.609 | S | S | . | * | G | 310 helix | trans | -84.1 | -16.5 | -179.2 | 73.7 | 0 | 0 | 0 | 0 | 113.5 | V140 E141 H142 | V140-S144 WeakPolarHBondContact CG1-OG 3.48Å; E141-S144 WeakPolarHBondContact O-CB 3.5Å; E141-S144 PolarHBondContact O-N 3.37Å; E141-S144 PolarHBondContact O-OG 2.88Å; H142-S144 PolarHBondContact O-N 3.08Å |
| 145 | V | 92.5 | Very high | 90.1 | Very high | 89 Ų | 89 | 105.5 Ų | 105.5 | 54% | 0.539 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -92.9 | 127.4 | 176.6 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | V140 H142 | V140-V145 HydrophobicContact CG1-CG2 4.37Å; H142-V145 PolarHBondContact O-N 3.33Å |
| 146 | P | 94.1 | Very high | 91.2 | Very high | 58 Ų | 58 | 103.2 Ų | 103.2 | 38% | 0.377 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -54.2 | 136.2 | 177.6 | -26.6 | 34.5 | 0 | 0 | 0 | 111.4 | V153 | P146-V153 HydrophobicContact CB-CG2 4.13Š|
| 147 | P | 95.1 | Very high | 91.5 | Very high | 72 Ų | 72 | 100 Ų | 100 | 47% | 0.468 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -66.9 | 152 | 179.9 | 29.1 | -34.4 | 0 | 0 | 0 | 110.2 | D149 S150 | P147-D149 WeakPolarHBondContact CB-OD1 3.22Å; P147-D149 PolarHBondContact O-N 3.1Å; P147-D149 VanDerWaalsContact O-N 3.12Å; P147-S150 WeakPolarHBondContact O-CB 3.4Å; P147-S150 PolarHBondContact O-N 2.95Å; P147-S150 PolarHBondContact O-OG 3.3Å |
| 148 | P | 92.4 | Very high | 91.5 | Very high | 109 Ų | 109 | 96.5 Ų | 96.5 | 71% | 0.708 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -22.6 | -172.1 | 25.3 | -35.3 | 0 | 0 | 0 | 113.5 | V153 | P148-V153 WeakPolarHBondContact O-CG1 3.49Š|
| 149 | D | 94.5 | Very high | 91.4 | Very high | 106 Ų | 106 | 90.3 Ų | 90.3 | 57% | 0.567 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 0.3 | 177.9 | 66.5 | -26.7 | 0 | 0 | 0 | 113.6 | P147 K154 | P147-D149 WeakPolarHBondContact CB-OD1 3.22Å; P147-D149 PolarHBondContact O-N 3.1Å; P147-D149 VanDerWaalsContact O-N 3.12Å; D149-K154 VanDerWaalsContact O-CE 3.29Å; D149-K154 WeakPolarHBondContact O-CE 3.37Å; D149-K154 PolarHBondContact O-NZ 2.59Å |
| 150 | S | 95.7 | Very high | 91.2 | Very high | 23 Ų | 23 | 88.3 Ų | 88.3 | 16% | 0.161 | 53% | 0.525 | C | S | . | . | S | Bend | trans | -59.5 | 150.9 | 176.3 | 67 | 0 | 0 | 0 | 0 | 111.9 | P147 E152 V153 K154 | P147-S150 WeakPolarHBondContact O-CB 3.4Å; P147-S150 PolarHBondContact O-N 2.95Å; P147-S150 PolarHBondContact O-OG 3.3Å; S150-E152 PolarHBondContact O-N 3.2Å; S150-V153 PolarHBondContact O-N 3.04Å; S150-V153 WeakPolarHBondContact OG-CB 3.38Å; S150-V153 VanDerWaalsContact OG-CG2 3.23Å; S150-V153 WeakPolarHBondContact OG-CG2 3.2Å; S150-V153 PolarHBondContact OG-N 3.38Å; S150-K154 WeakPolarHBondContact O-CG 3.37Å; S150-K154 PolarHBondContact O-N 2.88Å |
| 151 | A | 95.1 | Very high | 90.9 | Very high | 83 Ų | 83 | 84.9 Ų | 84.9 | 69% | 0.686 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.8 | -34.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | A155 | A151-A155 VanDerWaalsContact O-CB 3.26Å; A151-A155 WeakPolarHBondContact O-CB 3.27Å; A151-A155 PolarHBondContact O-N 2.78Å |
| 152 | E | 93.7 | Very high | 90.5 | Very high | 143 Ų | 143 | 88 Ų | 88 | 67% | 0.668 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.8 | -49 | 177.6 | -176.4 | 176.2 | -177.7 | 0 | 0 | 111.7 | S150 K154 A155 A156 | S150-E152 PolarHBondContact O-N 3.2Å; E152-K154 VanDerWaalsContact C-N 3.34Å; E152-K154 PolarHBondContact O-N 3.1Å; E152-A155 PolarHBondContact O-N 2.84Å; E152-A156 WeakPolarHBondContact O-CB 3.38Å; E152-A156 PolarHBondContact O-N 2.98Å |
| 153 | V | 94.2 | Very high | 90.4 | Very high | 41 Ų | 41 | 85.5 Ų | 85.5 | 25% | 0.248 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -63 | -42.9 | 177.9 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | P146 P148 S150 A155 A156 I157 | P146-V153 HydrophobicContact CB-CG2 4.13Å; P148-V153 WeakPolarHBondContact O-CG1 3.49Å; S150-V153 PolarHBondContact O-N 3.04Å; S150-V153 WeakPolarHBondContact OG-CB 3.38Å; S150-V153 VanDerWaalsContact OG-CG2 3.23Å; S150-V153 WeakPolarHBondContact OG-CG2 3.2Å; S150-V153 PolarHBondContact OG-N 3.38Å; V153-A155 VanDerWaalsContact C-N 3.35Å; V153-A155 PolarHBondContact O-N 3.31Å; V153-A156 PolarHBondContact O-N 3.24Å; V153-I157 HydrophobicContact CG1-CD1 3.85Å; V153-I157 HydrophobicContact CG1-CG1 4.49Å; V153-I157 VanDerWaalsContact O-CG1 3.31Å; V153-I157 WeakPolarHBondContact O-CG1 3.47Å; V153-I157 PolarHBondContact O-N 3.27Å |
| 154 | K | 92.9 | Very high | 90.1 | Very high | 123 Ų | 123 | 82.7 Ų | 82.7 | 54% | 0.535 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.7 | -41 | 175.4 | -74.4 | 171 | 174.8 | 155.6 | 0 | 112.6 | D149 S150 E152 I157 S158 | D149-K154 VanDerWaalsContact O-CE 3.29Å; D149-K154 WeakPolarHBondContact O-CE 3.37Å; D149-K154 PolarHBondContact O-NZ 2.59Å; S150-K154 WeakPolarHBondContact O-CG 3.37Å; S150-K154 PolarHBondContact O-N 2.88Å; E152-K154 VanDerWaalsContact C-N 3.34Å; E152-K154 PolarHBondContact O-N 3.1Å; K154-I157 PolarHBondContact O-N 2.88Å; K154-S158 WeakPolarHBondContact O-CB 3.49Å; K154-S158 PolarHBondContact O-N 2.9Å |
| 155 | A | 89.1 | Confident | 89.9 | Confident | 61 Ų | 61 | 84 Ų | 84 | 50% | 0.504 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A151 E152 V153 S158 A159 | A151-A155 VanDerWaalsContact O-CB 3.26Å; A151-A155 WeakPolarHBondContact O-CB 3.27Å; A151-A155 PolarHBondContact O-N 2.78Å; E152-A155 PolarHBondContact O-N 2.84Å; V153-A155 VanDerWaalsContact C-N 3.35Å; V153-A155 PolarHBondContact O-N 3.31Å; A155-S158 PolarHBondContact O-N 3.47Å; A155-A159 PolarHBondContact O-N 3.11Å |
| 156 | A | 88.8 | Confident | 89.4 | Confident | 53 Ų | 53 | 84.9 Ų | 84.9 | 44% | 0.438 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | E152 V153 A159 Q160 | E152-A156 WeakPolarHBondContact O-CB 3.38Å; E152-A156 PolarHBondContact O-N 2.98Å; V153-A156 PolarHBondContact O-N 3.24Å; A156-A159 PolarHBondContact O-N 2.77Å; A156-Q160 PolarHBondContact O-N 3Å |
| 157 | I | 88.5 | Confident | 88.7 | Confident | 102 Ų | 102 | 86.5 Ų | 86.5 | 52% | 0.523 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 174.6 | -65.9 | 165.9 | 0 | 0 | 0 | 110.5 | V153 K154 A159 Q160 | V153-I157 HydrophobicContact CG1-CD1 3.85Å; V153-I157 HydrophobicContact CG1-CG1 4.49Å; V153-I157 VanDerWaalsContact O-CG1 3.31Å; V153-I157 WeakPolarHBondContact O-CG1 3.47Å; V153-I157 PolarHBondContact O-N 3.27Å; K154-I157 PolarHBondContact O-N 2.88Å; I157-A159 PolarHBondContact O-N 3.29Å; I157-Q160 WeakPolarHBondContact O-CB 3.35Å; I157-Q160 PolarHBondContact O-N 3.43Å |
| 158 | S | 86.3 | Confident | 88.1 | Confident | 93 Ų | 93 | 88.6 Ų | 88.6 | 65% | 0.65 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.4 | -21.7 | 178.7 | -173.6 | 0 | 0 | 0 | 0 | 113.6 | K154 A155 Q160 | K154-S158 WeakPolarHBondContact O-CB 3.49Å; K154-S158 PolarHBondContact O-N 2.9Å; A155-S158 PolarHBondContact O-N 3.47Å; S158-Q160 VanDerWaalsContact C-N 3.28Å |
| 159 | A | 85.7 | Confident | 87.5 | Confident | 49 Ų | 49 | 87 Ų | 87 | 41% | 0.405 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -10.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A155 A156 I157 L167 | A155-A159 PolarHBondContact O-N 3.11Å; A156-A159 PolarHBondContact O-N 2.77Å; I157-A159 PolarHBondContact O-N 3.29Å; A159-L167 WeakPolarHBondContact O-CB 3.5Å; A159-L167 WeakPolarHBondContact O-CG 3.37Å; A159-L167 PolarHBondContact O-N 2.9Å |
| 160 | Q | 84.1 | Confident | 86.8 | Confident | 81 Ų | 81 | 89.3 Ų | 89.3 | 38% | 0.379 | 53% | 0.525 | S | S | . | . | B | Isolated β-bridge | trans | -90.6 | 144.4 | 172.8 | -65.1 | 169.4 | -8.6 | 0 | 0 | 109.8 | A156 I157 S158 Q165 L166 | A156-Q160 PolarHBondContact O-N 3Å; I157-Q160 WeakPolarHBondContact O-CB 3.35Å; I157-Q160 PolarHBondContact O-N 3.43Å; S158-Q160 VanDerWaalsContact C-N 3.28Å; Q160-Q165 CarbonylContact C-O 3.46Å; Q160-Q165 VanDerWaalsContact CA-O 3.27Å; Q160-Q165 WeakPolarHBondContact CA-O 3.45Å; Q160-L166 HydrophobicContact CG-CD2 4.02Å |
| 161 | G | 82 | Confident | 86.1 | Confident | 18 Ų | 18 | 94 Ų | 94 | 19% | 0.186 | 55% | 0.553 | C | S | . | * | | | trans | -70.6 | 173.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | D163 G164 Q165 | G161-D163 PolarHBondContact O-N 3.14Å; G161-D163 VanDerWaalsContact O-N 3.1Å; G161-G164 WeakPolarHBondContact O-CA 3.31Å; G161-G164 PolarHBondContact O-N 3.47Å; G161-Q165 PolarHBondContact N-O 2.68Å |
| 162 | E | 84.1 | Confident | 85.4 | Confident | 203 Ų | 203 | 99 Ų | 99 | 95% | 0.949 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | -27.5 | 175.8 | -179.2 | 62.1 | -157.3 | 0 | 0 | 112.8 | G164 | E162-G164 VanDerWaalsContact C-N 3.3Š|
| 163 | D | 84.8 | Confident | 85 | Confident | 117 Ų | 117 | 95.8 Ų | 95.8 | 63% | 0.626 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 2.5 | 177.4 | 65.7 | -14.2 | 0 | 0 | 0 | 113.9 | G161 Q165 | G161-D163 PolarHBondContact O-N 3.14Å; G161-D163 VanDerWaalsContact O-N 3.1Å; D163-Q165 PolarHBondContact O-N 3.29Å; D163-Q165 WeakPolarHBondContact OD1-CB 3.46Å; D163-Q165 PolarHBondContact OD1-N 3.01Å; D163-Q165 WeakPolarHBondContact OD2-CG 3.26Å |
| 164 | G | 87.2 | Confident | 84.6 | Confident | 38 Ų | 38 | 98.1 Ų | 98.1 | 39% | 0.392 | 56% | 0.563 | S | S | . | * | S | Bend | trans | 76.9 | 0.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G161 E162 | G161-G164 WeakPolarHBondContact O-CA 3.31Å; G161-G164 PolarHBondContact O-N 3.47Å; E162-G164 VanDerWaalsContact C-N 3.3Å |
| 165 | Q | 86.5 | Confident | 84.1 | Confident | 101 Ų | 101 | 101.3 Ų | 101.3 | 47% | 0.472 | 58% | 0.577 | S | S | . | * | | | trans | -79.3 | 145.5 | 177.6 | -63.5 | -63.9 | -22.7 | 0 | 0 | 110.7 | Q160 G161 D163 L167 | Q160-Q165 CarbonylContact C-O 3.46Å; Q160-Q165 VanDerWaalsContact CA-O 3.27Å; Q160-Q165 WeakPolarHBondContact CA-O 3.45Å; G161-Q165 PolarHBondContact N-O 2.68Å; D163-Q165 PolarHBondContact O-N 3.29Å; D163-Q165 WeakPolarHBondContact OD1-CB 3.46Å; D163-Q165 PolarHBondContact OD1-N 3.01Å; D163-Q165 WeakPolarHBondContact OD2-CG 3.26Å; Q165-L167 PolarHBondContact O-N 2.69Å |
| 166 | L | 83.8 | Confident | 84 | Confident | 109 Ų | 109 | 105.5 Ų | 105.5 | 57% | 0.571 | 59% | 0.586 | S | S | * | * | B | Isolated β-bridge | trans | -62.9 | 135 | 174.8 | -67.7 | 176.2 | 0 | 0 | 0 | 110.5 | Q160 V168 | Q160-L166 HydrophobicContact CG-CD2 4.02Å; L166-V168 HydrophobicContact CB-CG2 3.79Å; L166-V168 PolarHBondContact O-N 2.88Å |
| 167 | L | 78.6 | Confident | 83.9 | Confident | 91 Ų | 91 | 108.4 Ų | 108.4 | 48% | 0.476 | 59% | 0.594 | S | S | . | * | | | trans | -72.2 | 73.5 | 173.6 | -63.2 | 176 | 0 | 0 | 0 | 110.3 | A159 Q165 F170 | A159-L167 WeakPolarHBondContact O-CB 3.5Å; A159-L167 WeakPolarHBondContact O-CG 3.37Å; A159-L167 PolarHBondContact O-N 2.9Å; Q165-L167 PolarHBondContact O-N 2.69Å; L167-F170 VanDerWaalsContact C-CD2 3.42Å; L167-F170 HydrophobicContact CB-CD2 3.73Å; L167-F170 HydrophobicContact CB-CE2 4Å; L167-F170 HydrophobicContact CD2-CD2 4.05Å; L167-F170 HydrophobicContact CD2-CE2 3.68Å; L167-F170 HydrophobicContact CD2-CZ 3.96Å; L167-F170 HydrophobicContact CG-CE2 4.47Å |
| 168 | V | 81.8 | Confident | 83.6 | Confident | 116 Ų | 116 | 108.2 Ų | 108.2 | 70% | 0.703 | 59% | 0.593 | S | S | * | * | | | trans | -93.9 | 130.9 | 178.2 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | L166 F170 | L166-V168 HydrophobicContact CB-CG2 3.79Å; L166-V168 PolarHBondContact O-N 2.88Å; V168-F170 VanDerWaalsContact C-N 3.35Å |
| 169 | G | 79.4 | Confident | 83.4 | Confident | 76 Ų | 76 | 107.1 Ų | 107.1 | 78% | 0.784 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 82.2 | 7.6 | 173 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 170 | F | 79.7 | Confident | 83.2 | Confident | 155 Ų | 155 | 107.2 Ų | 107.2 | 68% | 0.68 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 134.7 | 173 | -63.6 | -92.3 | 0 | 0 | 0 | 110.3 | L167 V168 | L167-F170 VanDerWaalsContact C-CD2 3.42Å; L167-F170 HydrophobicContact CB-CD2 3.73Å; L167-F170 HydrophobicContact CB-CE2 4Å; L167-F170 HydrophobicContact CD2-CD2 4.05Å; L167-F170 HydrophobicContact CD2-CE2 3.68Å; L167-F170 HydrophobicContact CD2-CZ 3.96Å; L167-F170 HydrophobicContact CG-CE2 4.47Å; V168-F170 VanDerWaalsContact C-N 3.35Å |
| 171 | V | 82.9 | Confident | 82.6 | Confident | 121 Ų | 121 | 109.1 Ų | 109.1 | 73% | 0.733 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 122.6 | 172.1 | 178.6 | 0 | 0 | 0 | 0 | 107.4 | V173 | V171-V173 HydrophobicContact CG1-CG1 4.29Å; V171-V173 PolarHBondContact O-N 3.1Å |
| 172 | Q | 79.7 | Confident | 82.2 | Confident | 189 Ų | 189 | 114.6 Ų | 114.6 | 88% | 0.883 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 118.2 | 170.2 | -175.3 | 165 | 8.5 | 0 | 0 | 108.7 | | |
| 173 | V | 84.3 | Confident | 81.8 | Confident | 75 Ų | 75 | 106.1 Ų | 106.1 | 46% | 0.455 | 59% | 0.593 | S | S | . | * | | | trans | -113.2 | 147.4 | 176.7 | -65.9 | 0 | 0 | 0 | 0 | 109.2 | V171 L178 | V171-V173 HydrophobicContact CG1-CG1 4.29Å; V171-V173 PolarHBondContact O-N 3.1Å; V173-L178 HydrophobicContact CG2-CD1 4.09Å; V173-L178 HydrophobicContact CG2-CD2 3.64Å; V173-L178 HydrophobicContact CG2-CG 3.84Å |
| 174 | N | 86.9 | Confident | 81.1 | Confident | 89 Ų | 89 | 107 Ų | 107 | 48% | 0.476 | 60% | 0.597 | S | S | . | * | | | trans | -72.5 | 153.2 | 176.3 | -54.1 | -55.4 | 0 | 0 | 0 | 110.1 | E176 D177 | N174-E176 HydrophobicContact CB-CG 4.05Å; N174-E176 WeakPolarHBondContact CB-OE1 3.37Å; N174-E176 WeakPolarHBondContact CB-OE2 3.38Å; N174-E176 PolarHBondContact O-N 2.97Å; N174-D177 PolarHBondContact ND2-OD2 2.88Å; N174-D177 VanDerWaalsContact ND2-OD2 3.14Å; N174-D177 PolarHBondContact O-N 2.81Å; N174-D177 VanDerWaalsContact O-N 3.09Å |
| 175 | K | 82.7 | Confident | 80.3 | Confident | 190 Ų | 190 | 112 Ų | 112 | 83% | 0.826 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -65.3 | -30.3 | -176.8 | -68.4 | -173.8 | 178.4 | -178.7 | 0 | 111.9 | D177 L178 | K175-D177 VanDerWaalsContact C-N 3.33Å; K175-L178 PolarHBondContact O-N 3.49Å |
| 176 | E | 87.3 | Confident | 79.2 | Confident | 150 Ų | 150 | 108.8 Ų | 108.8 | 70% | 0.701 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -73.6 | -20.8 | 176.1 | 61.5 | -88.9 | -153.6 | 0 | 0 | 113.8 | N174 L178 | N174-E176 HydrophobicContact CB-CG 4.05Å; N174-E176 WeakPolarHBondContact CB-OE1 3.37Å; N174-E176 WeakPolarHBondContact CB-OE2 3.38Å; N174-E176 PolarHBondContact O-N 2.97Å; E176-L178 VanDerWaalsContact C-N 3.35Å |
| 177 | D | 86.2 | Confident | 78 | Confident | 114 Ų | 114 | 110.8 Ų | 110.8 | 61% | 0.61 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -84.7 | -12.8 | 175.4 | -70 | -37.2 | 0 | 0 | 0 | 112 | N174 K175 | N174-D177 PolarHBondContact ND2-OD2 2.88Å; N174-D177 VanDerWaalsContact ND2-OD2 3.14Å; N174-D177 PolarHBondContact O-N 2.81Å; N174-D177 VanDerWaalsContact O-N 3.09Å; K175-D177 VanDerWaalsContact C-N 3.33Å |
| 178 | L | 82.8 | Confident | 77.1 | Confident | 97 Ų | 97 | 113.2 Ų | 113.2 | 51% | 0.508 | 61% | 0.61 | S | S | . | * | S | Bend | trans | -84.4 | 140.6 | 176.8 | -70 | 176.4 | 0 | 0 | 0 | 111 | V173 K175 E176 A180 | V173-L178 HydrophobicContact CG2-CD1 4.09Å; V173-L178 HydrophobicContact CG2-CD2 3.64Å; V173-L178 HydrophobicContact CG2-CG 3.84Å; K175-L178 PolarHBondContact O-N 3.49Å; E176-L178 VanDerWaalsContact C-N 3.35Å; L178-A180 PolarHBondContact O-N 2.94Å |
| 179 | P | 82 | Confident | 76 | Confident | 71 Ų | 71 | 110.4 Ų | 110.4 | 46% | 0.461 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -59.7 | 139 | 173 | 26 | -33 | 0 | 0 | 0 | 109.4 | T186 | P179-T186 HydrophobicContact CB-CG2 4.26Å; P179-T186 HydrophobicContact CG-CG2 4.13Å |
| 180 | A | 79.9 | Confident | 74.9 | Confident | 51 Ų | 51 | 110.2 Ų | 110.2 | 42% | 0.421 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -54 | 137.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | L178 N182 S183 T186 | L178-A180 PolarHBondContact O-N 2.94Å; A180-N182 WeakPolarHBondContact CB-OD1 3.23Å; A180-N182 PolarHBondContact O-N 3.45Å; A180-S183 WeakPolarHBondContact O-CB 3.39Å; A180-S183 PolarHBondContact O-N 3.23Å; A180-S183 PolarHBondContact O-OG 2.88Å; A180-T186 WeakPolarHBondContact O-CG2 3.42Å |
| 181 | P | 71.5 | Confident | 73.7 | Confident | 120 Ų | 120 | 106.4 Ų | 106.4 | 78% | 0.779 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -24.3 | -173.9 | 23.2 | -33.9 | 0 | 0 | 0 | 112.6 | T186 | P181-T186 PolarHBondContact O-OG1 3.28Š|
| 182 | N | 73.9 | Confident | 72.3 | Confident | 133 Ų | 133 | 103.3 Ų | 103.3 | 71% | 0.711 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 7.8 | 177.3 | 63.1 | -7.8 | 0 | 0 | 0 | 114.1 | A180 | A180-N182 WeakPolarHBondContact CB-OD1 3.23Å; A180-N182 PolarHBondContact O-N 3.45Å |
| 183 | S | 75.6 | Confident | 71.1 | Confident | 26 Ų | 26 | 99.6 Ų | 99.6 | 18% | 0.182 | 55% | 0.552 | C | S | . | * | S | Bend | trans | -65.1 | 155.7 | 174.5 | 71.7 | 0 | 0 | 0 | 0 | 110.9 | A180 E185 T186 | A180-S183 WeakPolarHBondContact O-CB 3.39Å; A180-S183 PolarHBondContact O-N 3.23Å; A180-S183 PolarHBondContact O-OG 2.88Å; S183-E185 PolarHBondContact O-N 3.46Å; S183-T186 PolarHBondContact O-N 3.05Å; S183-T186 PolarHBondContact O-OG1 3.17Å; S183-T186 WeakPolarHBondContact OG-CG2 3.46Å; S183-T186 PolarHBondContact OG-N 3.35Å; S183-T186 PolarHBondContact OG-OG1 3.21Å |
| 184 | L | 71 | Confident | 69.5 | Low | 136 Ų | 136 | 102.1 Ų | 102.1 | 71% | 0.712 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.4 | -25.5 | 178.3 | -172.9 | 124.9 | 0 | 0 | 0 | 112 | | |
| 185 | E | 70.3 | Confident | 67.7 | Low | 142 Ų | 142 | 102.3 Ų | 102.3 | 66% | 0.664 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -71.9 | -40.9 | -179.3 | -63.5 | 171.6 | 145.3 | 0 | 0 | 111.6 | S183 K187 Q188 A189 | S183-E185 PolarHBondContact O-N 3.46Å; E185-K187 VanDerWaalsContact C-N 3.32Å; E185-K187 PolarHBondContact O-N 3.31Å; E185-Q188 PolarHBondContact O-N 2.9Å; E185-A189 PolarHBondContact O-N 2.97Å; E185-A189 VanDerWaalsContact O-N 3.17Å |
| 186 | T | 63.2 | Low | 66.2 | Low | 33 Ų | 33 | 100.4 Ų | 100.4 | 20% | 0.202 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -66.8 | -32.6 | 178.8 | 53.5 | 0 | 0 | 0 | 0 | 112.4 | P179 A180 P181 S183 Q188 A189 S190 | P179-T186 HydrophobicContact CB-CG2 4.26Å; P179-T186 HydrophobicContact CG-CG2 4.13Å; A180-T186 WeakPolarHBondContact O-CG2 3.42Å; P181-T186 PolarHBondContact O-OG1 3.28Å; S183-T186 PolarHBondContact O-N 3.05Å; S183-T186 PolarHBondContact O-OG1 3.17Å; S183-T186 WeakPolarHBondContact OG-CG2 3.46Å; S183-T186 PolarHBondContact OG-N 3.35Å; S183-T186 PolarHBondContact OG-OG1 3.21Å; T186-Q188 VanDerWaalsContact C-N 3.27Å; T186-Q188 PolarHBondContact O-N 2.96Å; T186-A189 PolarHBondContact O-N 2.86Å; T186-S190 PolarHBondContact O-N 3.26Å; T186-S190 PolarHBondContact O-OG 3.33Å |
| 187 | K | 59.3 | Low | 64.4 | Low | 152 Ų | 152 | 98.5 Ų | 98.5 | 66% | 0.661 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.1 | -29.7 | 175.4 | -69.9 | -170 | 177.9 | -168.6 | 0 | 113.6 | E185 S190 | E185-K187 VanDerWaalsContact C-N 3.32Å; E185-K187 PolarHBondContact O-N 3.31Å; K187-S190 PolarHBondContact O-OG 2.62Å |
| 188 | Q | 58.6 | Low | 62.6 | Low | 142 Ų | 142 | 100.9 Ų | 100.9 | 66% | 0.664 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -83.9 | -36.3 | 175.8 | -64.6 | -166.2 | 26.3 | 0 | 0 | 111.6 | E185 T186 A191 S192 | E185-Q188 PolarHBondContact O-N 2.9Å; T186-Q188 VanDerWaalsContact C-N 3.27Å; T186-Q188 PolarHBondContact O-N 2.96Å; Q188-A191 PolarHBondContact O-N 3.17Å; Q188-S192 PolarHBondContact O-N 3.05Å |
| 189 | A | 58.4 | Low | 60.9 | Low | 57 Ų | 57 | 101.4 Ų | 101.4 | 47% | 0.471 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.9 | -39.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E185 T186 A191 S192 L193 | E185-A189 PolarHBondContact O-N 2.97Å; E185-A189 VanDerWaalsContact O-N 3.17Å; T186-A189 PolarHBondContact O-N 2.86Å; A189-A191 VanDerWaalsContact C-N 3.28Å; A189-A191 PolarHBondContact O-N 2.94Å; A189-S192 CarbonylContact O-C 3.59Å; A189-S192 WeakPolarHBondContact O-CA 3.16Å; A189-S192 WeakPolarHBondContact O-CB 3.29Å; A189-S192 PolarHBondContact O-N 2.95Å; A189-L193 PolarHBondContact O-N 3.12Å |
| 190 | S | 57.4 | Low | 59.4 | Low | 71 Ų | 71 | 104.1 Ų | 104.1 | 50% | 0.497 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -61.8 | -35.5 | 176.7 | 55.6 | 0 | 0 | 0 | 0 | 112.5 | T186 K187 S192 L193 | T186-S190 PolarHBondContact O-N 3.26Å; T186-S190 PolarHBondContact O-OG 3.33Å; K187-S190 PolarHBondContact O-OG 2.62Å; S190-S192 VanDerWaalsContact C-N 3.26Å; S190-S192 PolarHBondContact O-N 2.77Å; S190-L193 WeakPolarHBondContact O-CB 3.07Å; S190-L193 PolarHBondContact O-N 2.83Å |
| 191 | A | 54.3 | Low | 57.7 | Low | 75 Ų | 75 | 106.3 Ų | 106.3 | 62% | 0.62 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.2 | -25.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q188 A189 | Q188-A191 PolarHBondContact O-N 3.17Å; A189-A191 VanDerWaalsContact C-N 3.28Å; A189-A191 PolarHBondContact O-N 2.94Å |
| 192 | S | 54 | Low | 56.7 | Low | 56 Ų | 56 | 104.2 Ų | 104.2 | 39% | 0.392 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -86 | -16.2 | 175.5 | -166.6 | 0 | 0 | 0 | 0 | 113 | Q188 A189 S190 D194 S195 F196 | Q188-S192 PolarHBondContact O-N 3.05Å; A189-S192 CarbonylContact O-C 3.59Å; A189-S192 WeakPolarHBondContact O-CA 3.16Å; A189-S192 WeakPolarHBondContact O-CB 3.29Å; A189-S192 PolarHBondContact O-N 2.95Å; S190-S192 VanDerWaalsContact C-N 3.26Å; S190-S192 PolarHBondContact O-N 2.77Å; S192-D194 VanDerWaalsContact C-N 3.28Å; S192-D194 PolarHBondContact O-N 3.33Å; S192-S195 WeakPolarHBondContact O-CB 3.39Å; S192-S195 PolarHBondContact O-N 3.32Å; S192-F196 VanDerWaalsContact O-CD2 3.31Å; S192-F196 WeakPolarHBondContact O-CD2 3.39Å |
| 193 | L | 53.1 | Low | 55.2 | Low | 111 Ų | 111 | 101.5 Ų | 101.5 | 58% | 0.581 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -69.3 | -28.6 | -176.2 | -134.8 | 147 | 0 | 0 | 0 | 111.8 | A189 S190 S195 F196 | A189-L193 PolarHBondContact O-N 3.12Å; S190-L193 WeakPolarHBondContact O-CB 3.07Å; S190-L193 PolarHBondContact O-N 2.83Å; L193-S195 PolarHBondContact O-N 3.22Å; L193-S195 VanDerWaalsContact O-N 3.11Å; L193-F196 PolarHBondContact O-N 3.18Å; L193-F196 VanDerWaalsContact O-N 3.08Å |
| 194 | D | 50.6 | Low | 53.8 | Low | 129 Ų | 129 | 104.5 Ų | 104.5 | 69% | 0.69 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -22.5 | 170.1 | -77.7 | -32.4 | 0 | 0 | 0 | 113.1 | S192 | S192-D194 VanDerWaalsContact C-N 3.28Å; S192-D194 PolarHBondContact O-N 3.33Å |
| 195 | S | 50.2 | Low | 52.5 | Low | 92 Ų | 92 | 106 Ų | 106 | 64% | 0.643 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -17.3 | 178.3 | -168.5 | 0 | 0 | 0 | 0 | 113.9 | S192 L193 | S192-S195 WeakPolarHBondContact O-CB 3.39Å; S192-S195 PolarHBondContact O-N 3.32Å; L193-S195 PolarHBondContact O-N 3.22Å; L193-S195 VanDerWaalsContact O-N 3.11Å |
| 196 | F | 50.6 | Low | 51.2 | Low | 151 Ų | 151 | 104.8 Ų | 104.8 | 66% | 0.662 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | 3.7 | 179.5 | -60.2 | -72.1 | 0 | 0 | 0 | 113.3 | S192 L193 E198 | S192-F196 VanDerWaalsContact O-CD2 3.31Å; S192-F196 WeakPolarHBondContact O-CD2 3.39Å; L193-F196 PolarHBondContact O-N 3.18Å; L193-F196 VanDerWaalsContact O-N 3.08Å; F196-E198 PolarHBondContact O-N 3.35Å |
| 197 | N | 49.5 | Very low | 50.4 | Low | 110 Ų | 110 | 108.9 Ų | 108.9 | 59% | 0.588 | 64% | 0.643 | S | S | * | * | | | trans | -67 | 28.4 | 158.3 | -64.1 | -33.9 | 0 | 0 | 0 | 111.9 | T199 | N197-T199 PolarHBondContact O-N 3.48Š|
| 198 | E | 48 | Very low | 49.6 | Very low | 164 Ų | 164 | 110.3 Ų | 110.3 | 77% | 0.766 | 65% | 0.649 | S | S | * | * | | | trans | -62.9 | 87.8 | 156.9 | -173.1 | 174 | -173 | 0 | 0 | 104.9 | F196 V200 | F196-E198 PolarHBondContact O-N 3.35Å; E198-V200 VanDerWaalsContact C-N 3.3Å; E198-V200 PolarHBondContact O-N 2.71Å |
| 199 | T | 47.8 | Very low | 48.9 | Very low | 108 Ų | 108 | 115.7 Ų | 115.7 | 66% | 0.663 | 66% | 0.663 | S | S | * | * | | | trans | -42.2 | 103.5 | 169.9 | -52.8 | 0 | 0 | 0 | 0 | 105.5 | N197 T201 | N197-T199 PolarHBondContact O-N 3.48Å; T199-T201 PolarHBondContact O-N 3.16Å; T199-T201 PolarHBondContact O-OG1 3.04Å |
| 200 | V | 50.6 | Low | 48.1 | Very low | 127 Ų | 127 | 120 Ų | 120 | 77% | 0.77 | 68% | 0.675 | S | S | * | * | | | trans | -64.8 | 86.4 | 163.9 | 179.5 | 0 | 0 | 0 | 0 | 102.7 | E198 C202 | E198-V200 VanDerWaalsContact C-N 3.3Å; E198-V200 PolarHBondContact O-N 2.71Å; V200-C202 PolarHBondContact O-N 2.88Å |
| 201 | T | 44.3 | Very low | 47.5 | Very low | 98 Ų | 98 | 122.9 Ų | 122.9 | 60% | 0.601 | 69% | 0.686 | S | S | * | * | | | trans | -68.5 | 90.3 | 177.4 | -62.7 | 0 | 0 | 0 | 0 | 102.7 | T199 G203 | T199-T201 PolarHBondContact O-N 3.16Å; T199-T201 PolarHBondContact O-OG1 3.04Å; T201-G203 PolarHBondContact O-N 3.01Å |
| 202 | C | 49.1 | Very low | 47 | Very low | 76 Ų | 76 | 125.7 Ų | 125.7 | 51% | 0.514 | 70% | 0.697 | S | S | . | * | | | trans | -46.1 | 118.5 | 158.9 | -64.7 | 0 | 0 | 0 | 0 | 104.4 | V200 S204 | V200-C202 PolarHBondContact O-N 2.88Å; C202-S204 PolarHBondContact O-N 3.35Å; C202-S204 PolarHBondContact O-OG 3.33Å |
| 203 | G | 42.7 | Very low | 46.6 | Very low | 75 Ų | 75 | 129.8 Ų | 129.8 | 77% | 0.773 | 72% | 0.715 | S | S | * | * | | | trans | -54.1 | 83.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | T201 E205 | T201-G203 PolarHBondContact O-N 3.01Å; G203-E205 PolarHBondContact O-N 2.63Å |
| 204 | S | 46.5 | Very low | 46 | Very low | 90 Ų | 90 | 130.4 Ų | 130.4 | 63% | 0.629 | 72% | 0.723 | S | S | * | * | | | trans | -73.4 | 84.8 | 153.7 | 25.7 | 0 | 0 | 0 | 0 | 101.8 | C202 S206 | C202-S204 PolarHBondContact O-N 3.35Å; C202-S204 PolarHBondContact O-OG 3.33Å; S204-S206 PolarHBondContact O-N 2.97Å |
| 205 | E | 44.4 | Very low | 45.9 | Very low | 166 Ų | 166 | 132.4 Ų | 132.4 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | | | trans | -30 | 112 | 152.2 | 46.9 | -173.6 | 149.6 | 0 | 0 | 106.8 | G203 V207 | G203-E205 PolarHBondContact O-N 2.63Å; E205-V207 PolarHBondContact O-N 3.09Å |
| 206 | S | 42.4 | Very low | 45.5 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | | | trans | -57.4 | 101.5 | 174.9 | -52.1 | 0 | 0 | 0 | 0 | 104.2 | S204 K208 | S204-S206 PolarHBondContact O-N 2.97Å; S206-K208 PolarHBondContact O-N 3.44Å |
| 207 | V | 46.3 | Very low | 45.2 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | | | trans | -61.8 | 92.5 | 170.6 | 177.8 | 0 | 0 | 0 | 0 | 102.3 | E205 R209 | E205-V207 PolarHBondContact O-N 3.09Å; V207-R209 PolarHBondContact O-N 3.04Å |
| 208 | K | 44 | Very low | 45.3 | Very low | 181 Ų | 181 | 132.2 Ų | 132.2 | 79% | 0.787 | 75% | 0.745 | S | S | * | * | | | trans | -47.2 | 116.4 | 164.3 | -87.2 | -175.1 | 177.1 | -178.1 | 0 | 102.9 | S206 M210 | S206-K208 PolarHBondContact O-N 3.44Å; K208-M210 WeakPolarHBondContact O-CA 3.31Å; K208-M210 WeakPolarHBondContact O-CB 3.26Å; K208-M210 PolarHBondContact O-N 3.07Å |
| 209 | R | 42.3 | Very low | 44.9 | Very low | 255 Ų | 255 | 131.4 Ų | 131.4 | 96% | 0.962 | 75% | 0.746 | S | S | * | * | | | trans | -34.7 | 87.5 | 173.4 | -152.8 | -174.4 | -75.4 | 160 | -8.7 | 107.7 | V207 | V207-R209 PolarHBondContact O-N 3.04Š|
| 210 | M | 42.8 | Very low | 44.6 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | | | trans | -97.1 | 122.7 | -175.8 | -165.3 | 78.5 | 100.3 | 0 | 0 | 102.4 | K208 | K208-M210 WeakPolarHBondContact O-CA 3.31Å; K208-M210 WeakPolarHBondContact O-CB 3.26Å; K208-M210 PolarHBondContact O-N 3.07Å |
| 211 | D | 43.2 | Very low | 44.1 | Very low | 133 Ų | 133 | 135.5 Ų | 135.5 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | | | trans | -34.2 | 128.1 | 178.4 | -130 | -52.2 | 0 | 0 | 0 | 110.5 | N213 | D211-N213 PolarHBondContact O-N 2.83Š|
| 212 | P | 45.9 | Very low | 43.8 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 31.8 | -168.6 | 29.4 | -37.1 | 0 | 0 | 0 | 114.5 | | |
| 213 | N | 44 | Very low | 43 | Very low | 143 Ų | 143 | 137 Ų | 137 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | 7.2 | -177.7 | -154.2 | -96.1 | 0 | 0 | 0 | 114.7 | D211 | D211-N213 PolarHBondContact O-N 2.83Š|
| 214 | V | 41.4 | Very low | 42.8 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 75% | 0.745 | 77% | 0.772 | S | S | * | * | | | trans | -102.6 | 98.2 | 176 | -170 | 0 | 0 | 0 | 0 | 109.2 | | |
| 215 | E | 47.6 | Very low | 42.5 | Very low | 172 Ų | 172 | 145.4 Ų | 145.4 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -53 | 141 | 172.6 | -80 | -139 | 133.6 | 0 | 0 | 111.7 | C217 | E215-C217 PolarHBondContact O-N 2.92Š|
| 216 | P | 42.5 | Very low | 42 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | | | trans | -63.2 | 110.3 | 177.1 | 24.8 | -31.2 | 0 | 0 | 0 | 109.8 | V218 | P216-V218 PolarHBondContact O-N 3.37Š|
| 217 | C | 44.9 | Very low | 41.7 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | | | trans | -66.9 | 102.8 | 173.9 | -164.3 | 0 | 0 | 0 | 0 | 108.5 | E215 N219 | E215-C217 PolarHBondContact O-N 2.92Å; C217-N219 PolarHBondContact O-N 3.38Å |
| 218 | V | 50.5 | Low | 41.2 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 70% | 0.703 | 79% | 0.788 | S | S | * | * | | | trans | -56.5 | 115.3 | 170.3 | -78.5 | 0 | 0 | 0 | 0 | 109.1 | P216 N220 | P216-V218 PolarHBondContact O-N 3.37Å; V218-N220 PolarHBondContact O-N 3.07Å |
| 219 | N | 40.8 | Very low | 40.7 | Very low | 148 Ų | 148 | 144.6 Ų | 144.6 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | -65.6 | 99.8 | 176 | -81.9 | -18.2 | 0 | 0 | 0 | 109.2 | C217 L221 | C217-N219 PolarHBondContact O-N 3.38Å; N219-L221 PolarHBondContact O-N 3.19Å; N219-L221 VanDerWaalsContact O-N 3.1Å |
| 220 | N | 40 | Very low | 40.6 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | | | trans | -70.8 | 103.9 | 168.7 | -70.3 | -16.1 | 0 | 0 | 0 | 109.1 | V218 N222 | V218-N220 PolarHBondContact O-N 3.07Å; N220-N222 VanDerWaalsContact C-N 3.27Å; N220-N222 PolarHBondContact O-N 3.23Å |
| 221 | L | 40.1 | Very low | 40.2 | Very low | 173 Ų | 173 | 136.4 Ų | 136.4 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | | | trans | -63.5 | 84.8 | 167.1 | -86.7 | 94.5 | 0 | 0 | 0 | 109.5 | N219 | N219-L221 PolarHBondContact O-N 3.19Å; N219-L221 VanDerWaalsContact O-N 3.1Å |
| 222 | N | 38.8 | Very low | 39.7 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | | | trans | -104 | 91.2 | 158.6 | -177.6 | -3.6 | 0 | 0 | 0 | 108.1 | N220 N224 | N220-N222 VanDerWaalsContact C-N 3.27Å; N220-N222 PolarHBondContact O-N 3.23Å; N222-N224 PolarHBondContact O-N 3.49Å |
| 223 | G | 31.9 | Very low | 39.4 | Very low | 63 Ų | 63 | 140.8 Ų | 140.8 | 65% | 0.649 | 79% | 0.793 | S | S | * | * | | | trans | -69.4 | 104.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 224 | N | 39.3 | Very low | 38.8 | Very low | 145 Ų | 145 | 142.9 Ų | 142.9 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | | | trans | -121.4 | 83.7 | 157.1 | -170 | 18.7 | 0 | 0 | 0 | 108.6 | N222 G226 | N222-N224 PolarHBondContact O-N 3.49Å; N224-G226 VanDerWaalsContact C-N 3.27Å; N224-G226 PolarHBondContact O-N 2.66Å |
| 225 | F | 39.4 | Very low | 38.8 | Very low | 198 Ų | 198 | 142.5 Ų | 142.5 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | | | trans | -75.2 | 85.8 | 168.6 | -71.8 | -84.1 | 0 | 0 | 0 | 108.3 | S227 | F225-S227 PolarHBondContact O-N 2.87Š|
| 226 | G | 34.1 | Very low | 38.2 | Very low | 63 Ų | 63 | 139.4 Ų | 139.4 | 65% | 0.649 | 80% | 0.795 | S | S | * | * | | | trans | -61.7 | 106.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109 | N224 Q228 | N224-G226 VanDerWaalsContact C-N 3.27Å; N224-G226 PolarHBondContact O-N 2.66Å; G226-Q228 PolarHBondContact O-N 2.84Å |
| 227 | S | 36.5 | Very low | 37.8 | Very low | 125 Ų | 125 | 143 Ų | 143 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | trans | -61.8 | 100.6 | 170.7 | -67 | 0 | 0 | 0 | 0 | 108.7 | F225 | F225-S227 PolarHBondContact O-N 2.87Š|
| 228 | Q | 35.9 | Very low | 38.1 | Very low | 190 Ų | 190 | 143.5 Ų | 143.5 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | | | trans | -86.3 | 110.4 | 160 | -84.9 | -165.8 | 0.1 | 0 | 0 | 108 | G226 P230 | G226-Q228 PolarHBondContact O-N 2.84Å; Q228-P230 WeakPolarHBondContact O-CD 3.23Å |
| 229 | E | 32.4 | Very low | 37.6 | Very low | 188 Ų | 188 | 145.6 Ų | 145.6 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | | | trans | -58.1 | 117.1 | 171.1 | -162.2 | -175.8 | 151.9 | 0 | 0 | 109.6 | S231 | E229-S231 PolarHBondContact O-N 2.75Š|
| 230 | P | 40 | Very low | 37.6 | Very low | 121 Ų | 121 | 141.5 Ų | 141.5 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | | | trans | -76.9 | 112.8 | 177.6 | 27.9 | -30.4 | 0 | 0 | 0 | 109.9 | Q228 K232 | Q228-P230 WeakPolarHBondContact O-CD 3.23Å; P230-K232 PolarHBondContact O-N 2.66Å |
| 231 | S | 34.6 | Very low | 37.7 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | trans | -66.4 | 117 | 170.2 | 59.8 | 0 | 0 | 0 | 0 | 110.6 | E229 D233 | E229-S231 PolarHBondContact O-N 2.75Å; S231-D233 PolarHBondContact O-N 2.78Å |
| 232 | K | 34.1 | Very low | 37.9 | Very low | 200 Ų | 200 | 138.5 Ų | 138.5 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | | | trans | 17.7 | 98.3 | 145.3 | -58.9 | -176.6 | -178.9 | -177.9 | 0 | 116.5 | P230 | P230-K232 PolarHBondContact O-N 2.66Š|
| 233 | D | 39 | Very low | 38 | Very low | 158 Ų | 158 | 139.2 Ų | 139.2 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | | | trans | -140.6 | 109.6 | 143.3 | -91.6 | -39.9 | 0 | 0 | 0 | 108.5 | S231 P235 | S231-D233 PolarHBondContact O-N 2.78Å; D233-P235 WeakPolarHBondContact O-CD 3.38Å |
| 234 | E | 30.2 | Very low | 39 | Very low | 187 Ų | 187 | 142.1 Ų | 142.1 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | | | trans | -88 | 121 | 174 | 178.5 | -172.9 | 141.5 | 0 | 0 | 108.6 | | |
| 235 | P | 42 | Very low | 39.3 | Very low | 115 Ų | 115 | 141.4 Ų | 141.4 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | | | trans | -124.5 | 114.4 | 149.4 | 32.8 | -21.4 | 0 | 0 | 0 | 111.4 | D233 | D233-P235 WeakPolarHBondContact O-CD 3.38Š|
| 236 | S | 35.6 | Very low | 39.8 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | | | trans | 27.2 | 120.2 | 146.3 | -82.3 | 0 | 0 | 0 | 0 | 120.6 | | |
| 237 | K | 34.3 | Very low | 40.6 | Very low | 194 Ų | 194 | 139.5 Ų | 139.5 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | | | trans | -43.2 | 134.2 | 161.5 | -59 | 169.6 | -179.9 | 176 | 0 | 113.9 | | |
| 238 | P | 50.8 | Low | 41.5 | Very low | 124 Ų | 124 | 141.3 Ų | 141.3 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | | | trans | -96.1 | 120.5 | 140.6 | 30.8 | -23.8 | 0 | 0 | 0 | 109.1 | G240 | P238-G240 PolarHBondContact O-N 2.91Š|
| 239 | N | 39.7 | Very low | 42.4 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | | | trans | -60 | 102.9 | 169.4 | -81.8 | -53.5 | 0 | 0 | 0 | 109.7 | | |
| 240 | G | 40 | Very low | 43.4 | Very low | 62 Ų | 62 | 138.1 Ų | 138.1 | 64% | 0.639 | 76% | 0.764 | S | S | * | * | | | trans | -121.2 | 87 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | P238 V242 | P238-G240 PolarHBondContact O-N 2.91Å; G240-V242 VanDerWaalsContact C-N 3.34Å; G240-V242 PolarHBondContact O-N 3.43Å |
| 241 | T | 42.2 | Very low | 44 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 83% | 0.828 | 76% | 0.763 | S | S | * | * | | | trans | -68.1 | 95.1 | 169.9 | -57.1 | 0 | 0 | 0 | 0 | 107.6 | H243 | T241-H243 PolarHBondContact O-N 2.89Š|
| 242 | V | 45.1 | Very low | 44.7 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 75% | 0.745 | 76% | 0.762 | S | S | * | * | | | trans | -79.9 | 110.9 | 170.9 | -166.3 | 0 | 0 | 0 | 0 | 106.7 | G240 V244 | G240-V242 VanDerWaalsContact C-N 3.34Å; G240-V242 PolarHBondContact O-N 3.43Å; V242-V244 PolarHBondContact O-N 3.09Å |
| 243 | H | 41.1 | Very low | 45.4 | Very low | 156 Ų | 156 | 134.5 Ų | 134.5 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | | | trans | -71.6 | 97.1 | 174.3 | -165.2 | -89.7 | 0 | 0 | 0 | 108 | T241 E245 | T241-H243 PolarHBondContact O-N 2.89Å; H243-E245 PolarHBondContact O-N 2.87Å; H243-E245 VanDerWaalsContact O-N 3.12Å |
| 244 | V | 51.7 | Low | 46.2 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 76% | 0.758 | 76% | 0.755 | S | S | * | * | | | trans | -80.3 | 90.6 | 173.1 | -174 | 0 | 0 | 0 | 0 | 107 | V242 A246 | V242-V244 PolarHBondContact O-N 3.09Å; V244-A246 PolarHBondContact O-N 2.81Å |
| 245 | E | 46.3 | Very low | 47 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 60% | 0.603 | 75% | 0.753 | S | S | * | * | | | trans | -73 | 95.1 | 169.5 | -164 | 168.7 | 170.1 | 0 | 0 | 108.2 | H243 H247 | H243-E245 PolarHBondContact O-N 2.87Å; H243-E245 VanDerWaalsContact O-N 3.12Å; E245-H247 PolarHBondContact O-N 3.35Å; E245-H247 IonicContact OE1-CE1 3.53Å; E245-H247 IonicContact OE1-NE2 3.92Å |
| 246 | A | 51.1 | Low | 47.1 | Very low | 76 Ų | 76 | 137.2 Ų | 137.2 | 63% | 0.628 | 76% | 0.757 | S | S | * | * | | | trans | -72.4 | 90.5 | 176 | 0 | 0 | 0 | 0 | 0 | 109.6 | V244 H248 | V244-A246 PolarHBondContact O-N 2.81Å; A246-H248 VanDerWaalsContact C-N 3.29Å; A246-H248 PolarHBondContact O-N 3.25Å; A246-H248 PolarHBondContact O-ND1 2.62Å |
| 247 | H | 50 | Low | 47.8 | Very low | 145 Ų | 145 | 137 Ų | 137 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | | | trans | -68.6 | 91.2 | 164.8 | -66.7 | -71.9 | 0 | 0 | 0 | 109 | E245 K249 | E245-H247 PolarHBondContact O-N 3.35Å; E245-H247 IonicContact OE1-CE1 3.53Å; E245-H247 IonicContact OE1-NE2 3.92Å; H247-K249 PolarHBondContact O-N 2.78Å |
| 248 | H | 55 | Low | 48.5 | Very low | 164 Ų | 164 | 133.8 Ų | 133.8 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | | | trans | -69.8 | 91.1 | 167.8 | 49.4 | -80.2 | 0 | 0 | 0 | 108.3 | A246 T250 | A246-H248 VanDerWaalsContact C-N 3.29Å; A246-H248 PolarHBondContact O-N 3.25Å; A246-H248 PolarHBondContact O-ND1 2.62Å; H248-T250 PolarHBondContact O-N 2.77Å |
| 249 | K | 54.8 | Low | 48.3 | Very low | 195 Ų | 195 | 135.2 Ų | 135.2 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | | | trans | -77.8 | 108.6 | 163.1 | -90.8 | 167.9 | 172.4 | -179.6 | 0 | 107.5 | H247 | H247-K249 PolarHBondContact O-N 2.78Š|
| 250 | T | 53.9 | Low | 48.3 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 71% | 0.712 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 127.2 | 173.5 | -48.7 | 0 | 0 | 0 | 0 | 109.6 | H248 V252 | H248-T250 PolarHBondContact O-N 2.77Å; T250-V252 PolarHBondContact O-N 2.86Å |
| 251 | P | 51.8 | Low | 48.6 | Very low | 116 Ų | 116 | 138 Ų | 138 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 124.9 | 173.8 | -18.7 | 30.5 | 0 | 0 | 0 | 109.6 | | |
| 252 | V | 49.2 | Very low | 48.5 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -73 | 125.8 | 170.3 | 179.7 | 0 | 0 | 0 | 0 | 107.2 | T250 I254 | T250-V252 PolarHBondContact O-N 2.86Å; V252-I254 PolarHBondContact O-N 2.82Å |
| 253 | P | 49.9 | Very low | 48.5 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 122.8 | 176.7 | 24.1 | -30.4 | 0 | 0 | 0 | 109.4 | E255 | P253-E255 PolarHBondContact O-N 2.7Š|
| 254 | I | 56.1 | Low | 48.5 | Very low | 161 Ų | 161 | 137 Ų | 137 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | | | trans | -73.8 | 111.4 | 174.4 | -61.7 | 160.4 | 0 | 0 | 0 | 105.9 | V252 E256 | V252-I254 PolarHBondContact O-N 2.82Å; I254-E256 PolarHBondContact O-N 2.81Å |
| 255 | E | 46.9 | Very low | 48.1 | Very low | 181 Ų | 181 | 137 Ų | 137 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | | | trans | -66.1 | 121.4 | 168.6 | -62.4 | -151.7 | 164.3 | 0 | 0 | 108.4 | P253 P257 | P253-E255 PolarHBondContact O-N 2.7Å; E255-P257 WeakPolarHBondContact O-CD 3.37Å |
| 256 | E | 43.1 | Very low | 47.9 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | -63.6 | 120.9 | -178.9 | -163.4 | 175.6 | -166.1 | 0 | 0 | 109.3 | I254 V258 | I254-E256 PolarHBondContact O-N 2.81Å; E256-V258 PolarHBondContact O-N 2.63Å; E256-V258 VanDerWaalsContact O-N 3.1Å |
| 257 | P | 51.6 | Low | 47.6 | Very low | 103 Ų | 103 | 138.5 Ų | 138.5 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | | | trans | -72 | 110.2 | -178 | 27.1 | -31.5 | 0 | 0 | 0 | 109.5 | E255 I259 | E255-P257 WeakPolarHBondContact O-CD 3.37Å; P257-I259 PolarHBondContact O-N 2.66Å |
| 258 | V | 47.6 | Very low | 47.1 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 76% | 0.758 | 78% | 0.78 | S | S | * | * | | | trans | -62.9 | 102.7 | 168.1 | 175 | 0 | 0 | 0 | 0 | 108 | E256 Q260 | E256-V258 PolarHBondContact O-N 2.63Å; E256-V258 VanDerWaalsContact O-N 3.1Å; V258-Q260 HydrophobicContact CG1-CG 4.41Å; V258-Q260 PolarHBondContact O-N 3.31Å |
| 259 | I | 46.6 | Very low | 46.4 | Very low | 154 Ų | 154 | 134.3 Ų | 134.3 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | trans | -66.5 | 99 | 174 | -55.2 | 175.8 | 0 | 0 | 0 | 107.3 | P257 | P257-I259 PolarHBondContact O-N 2.66Š|
| 260 | Q | 41 | Very low | 46.1 | Very low | 166 Ų | 166 | 132.3 Ų | 132.3 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | -77.8 | 125.4 | 168.5 | -66.6 | -171.3 | 2.2 | 0 | 0 | 108.8 | V258 L262 | V258-Q260 HydrophobicContact CG1-CG 4.41Å; V258-Q260 PolarHBondContact O-N 3.31Å; Q260-L262 PolarHBondContact O-N 2.77Å; Q260-L262 VanDerWaalsContact O-N 3.08Å |
| 261 | P | 45.6 | Very low | 45.8 | Very low | 115 Ų | 115 | 133.2 Ų | 133.2 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | | | trans | -66.7 | 110.2 | 176.6 | 24.2 | -30 | 0 | 0 | 0 | 109.8 | V263 | P261-V263 PolarHBondContact O-N 2.67Å; P261-V263 VanDerWaalsContact O-N 3.08Å |
| 262 | L | 40.7 | Very low | 45.9 | Very low | 174 Ų | 174 | 135.4 Ų | 135.4 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | | | trans | -68.1 | 101.1 | 174.1 | -175.1 | 68.7 | 0 | 0 | 0 | 108.8 | Q260 | Q260-L262 PolarHBondContact O-N 2.77Å; Q260-L262 VanDerWaalsContact O-N 3.08Å |
| 263 | V | 45.2 | Very low | 45.7 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 132.2 | 172.5 | 177.9 | 0 | 0 | 0 | 0 | 109.2 | P261 | P261-V263 PolarHBondContact O-N 2.67Å; P261-V263 VanDerWaalsContact O-N 3.08Å |
| 264 | A | 41.1 | Very low | 45.6 | Very low | 84 Ų | 84 | 135.7 Ų | 135.7 | 69% | 0.694 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -63 | 167.5 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 265 | P | 43.6 | Very low | 45.6 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -81 | 149.9 | -155.8 | 32.6 | -33.3 | 0 | 0 | 0 | 114.4 | | |
| 266 | V | 41.8 | Very low | 45.9 | Very low | 138 Ų | 138 | 132.3 Ų | 132.3 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 129.8 | 176.7 | 68.1 | 0 | 0 | 0 | 0 | 111.5 | G268 | V266-G268 PolarHBondContact O-N 2.96Å; V266-G268 VanDerWaalsContact O-N 3.11Å |
| 267 | A | 43.6 | Very low | 46.6 | Very low | 97 Ų | 97 | 132.5 Ų | 132.5 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | | | trans | -62.2 | 110.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | D269 | A267-D269 PolarHBondContact O-N 3.03Š|
| 268 | G | 39.4 | Very low | 47 | Very low | 69 Ų | 69 | 134 Ų | 134 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | | | trans | -76.3 | 113.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | V266 I270 | V266-G268 PolarHBondContact O-N 2.96Å; V266-G268 VanDerWaalsContact O-N 3.11Å; G268-I270 PolarHBondContact O-N 2.76Å |
| 269 | D | 40.2 | Very low | 47.3 | Very low | 153 Ų | 153 | 133.7 Ų | 133.7 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -63 | 112.5 | 177 | -144.3 | -1.9 | 0 | 0 | 0 | 109.7 | A267 V271 | A267-D269 PolarHBondContact O-N 3.03Å; D269-V271 PolarHBondContact O-N 3.44Å; D269-V271 VanDerWaalsContact O-N 3.14Å |
| 270 | I | 48.7 | Very low | 47.9 | Very low | 152 Ų | 152 | 131.6 Ų | 131.6 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | | | trans | -73.7 | 99.5 | 176.4 | 40.9 | 165.5 | 0 | 0 | 0 | 109 | G268 L272 | G268-I270 PolarHBondContact O-N 2.76Å; I270-L272 PolarHBondContact O-N 2.8Å; I270-L272 VanDerWaalsContact O-N 3.17Å |
| 271 | V | 48.2 | Very low | 48.1 | Very low | 135 Ų | 135 | 132.5 Ų | 132.5 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -68 | 110.8 | 172.6 | -180 | 0 | 0 | 0 | 0 | 108.6 | D269 D273 | D269-V271 PolarHBondContact O-N 3.44Å; D269-V271 VanDerWaalsContact O-N 3.14Å; V271-D273 PolarHBondContact O-N 2.92Å |
| 272 | L | 53.2 | Low | 48.2 | Very low | 162 Ų | 162 | 139.6 Ų | 139.6 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | | | trans | -64 | 111.5 | 172.4 | -77.1 | 153.7 | 0 | 0 | 0 | 109.3 | I270 A274 | I270-L272 PolarHBondContact O-N 2.8Å; I270-L272 VanDerWaalsContact O-N 3.17Å; L272-A274 PolarHBondContact O-N 3.45Å |
| 273 | D | 45.6 | Very low | 48.6 | Very low | 156 Ų | 156 | 137.9 Ų | 137.9 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | | | trans | -65.4 | 118.2 | 177.9 | -153.4 | 11.1 | 0 | 0 | 0 | 109.6 | V271 I275 | V271-D273 PolarHBondContact O-N 2.92Å; D273-I275 PolarHBondContact O-N 3.27Å |
| 274 | A | 48.9 | Very low | 48.8 | Very low | 88 Ų | 88 | 138.1 Ų | 138.1 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | | | trans | -74.4 | 114.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | L272 P276 | L272-A274 PolarHBondContact O-N 3.45Å; A274-P276 WeakPolarHBondContact O-CD 3.37Å |
| 275 | I | 54.8 | Low | 49.2 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | | | trans | -72.6 | 121.8 | 174.8 | -56.6 | 174.1 | 0 | 0 | 0 | 108.8 | D273 E277 | D273-I275 PolarHBondContact O-N 3.27Å; I275-E277 PolarHBondContact O-N 3.18Å |
| 276 | P | 53.4 | Low | 49.5 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 71% | 0.714 | 82% | 0.821 | S | S | * | * | | | trans | -74.1 | 116 | 177.4 | 25.9 | -29.9 | 0 | 0 | 0 | 111.4 | A274 V278 | A274-P276 WeakPolarHBondContact O-CD 3.37Å; P276-V278 PolarHBondContact O-N 3.09Å |
| 277 | E | 57.1 | Low | 50 | Low | 178 Ų | 178 | 142.2 Ų | 142.2 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | | | trans | -70.7 | 104.3 | 173.3 | -167.7 | 176.5 | -174.6 | 0 | 0 | 109.9 | I275 V279 | I275-E277 PolarHBondContact O-N 3.18Å; E277-V279 PolarHBondContact O-N 3.07Å |
| 278 | V | 60.1 | Low | 50.4 | Low | 136 Ų | 136 | 145.2 Ų | 145.2 | 82% | 0.824 | 82% | 0.821 | S | S | * | * | | | trans | -77.6 | 96.9 | 172.9 | -80.3 | 0 | 0 | 0 | 0 | 109.7 | P276 S280 | P276-V278 PolarHBondContact O-N 3.09Å; V278-S280 PolarHBondContact O-N 3.11Å; V278-S280 VanDerWaalsContact O-N 3.09Å |
| 279 | V | 54.8 | Low | 51.2 | Low | 118 Ų | 118 | 150.6 Ų | 150.6 | 72% | 0.715 | 83% | 0.829 | S | S | * | * | | | trans | -67.9 | 103.3 | 171 | -177 | 0 | 0 | 0 | 0 | 108.7 | E277 Q281 | E277-V279 PolarHBondContact O-N 3.07Å; V279-Q281 PolarHBondContact O-N 2.94Å |
| 280 | S | 58.7 | Low | 52 | Low | 110 Ų | 110 | 150.5 Ų | 150.5 | 77% | 0.769 | 83% | 0.83 | S | S | * | * | | | trans | -77.1 | 108.2 | 174.8 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | V278 Q282 | V278-S280 PolarHBondContact O-N 3.11Å; V278-S280 VanDerWaalsContact O-N 3.09Å; S280-Q282 PolarHBondContact O-N 2.87Å |
| 281 | Q | 45.4 | Very low | 52.3 | Low | 185 Ų | 185 | 150.3 Ų | 150.3 | 86% | 0.864 | 83% | 0.834 | S | S | * | * | | | trans | -73.4 | 116.5 | 169.8 | -67.7 | -167.6 | 75.6 | 0 | 0 | 110.1 | V279 | V279-Q281 PolarHBondContact O-N 2.94Š|
| 282 | Q | 47.7 | Very low | 52.7 | Low | 264 Ų | 264 | 151.7 Ų | 151.7 | 100% | 1.234 | 84% | 0.836 | S | S | * | * | | | trans | -142.4 | 0 | 151.3 | -97 | -172.7 | 2.6 | 0 | 0 | 109.4 | S280 | S280-Q282 PolarHBondContact O-N 2.87Š|