| 1 | M | 37.7 | Very low | 38.1 | Very low | 232 Ų | 232 | 162.7 Ų | 162.7 | 100% | 1.143 | 82% | 0.822 | S | S | * | * | | | | 0 | 90.4 | 0 | -66.2 | 163.3 | 72.6 | 0 | 0 | 107 | | |
| 2 | F | 37.6 | Very low | 38.2 | Very low | 208 Ų | 208 | 156.3 Ų | 156.3 | 91% | 0.912 | 81% | 0.813 | S | S | * | * | | | trans | -94.5 | 109.7 | 179.3 | -71.2 | -77.2 | 0 | 0 | 0 | 107.5 | N4 | F2-N4 PolarHBondContact O-N 2.94Š|
| 3 | S | 38.3 | Very low | 38.4 | Very low | 91 Ų | 91 | 152.6 Ų | 152.6 | 64% | 0.636 | 81% | 0.808 | S | S | * | * | | | trans | -67 | 124.1 | 177.9 | 54 | 0 | 0 | 0 | 0 | 108.6 | Q5 | S3-Q5 PolarHBondContact O-N 2.98Š|
| 4 | N | 38.8 | Very low | 38.4 | Very low | 163 Ų | 163 | 158 Ų | 158 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | | | trans | -66.3 | 80.8 | 163.7 | -70.2 | -30.5 | 0 | 0 | 0 | 107 | F2 Y6 | F2-N4 PolarHBondContact O-N 2.94Å; N4-Y6 PolarHBondContact O-N 3.2Å |
| 5 | Q | 38.8 | Very low | 38.3 | Very low | 165 Ų | 165 | 157.7 Ų | 157.7 | 77% | 0.771 | 81% | 0.812 | S | S | * | * | | | trans | -65.4 | 91.8 | 168.4 | -75.4 | -178.6 | -25.3 | 0 | 0 | 107.2 | S3 M7 | S3-Q5 PolarHBondContact O-N 2.98Å; Q5-M7 PolarHBondContact O-N 2.85Å |
| 6 | Y | 34.9 | Very low | 38.4 | Very low | 220 Ų | 220 | 158.4 Ų | 158.4 | 86% | 0.863 | 82% | 0.817 | S | S | * | * | | | trans | 20 | 81.2 | 139.2 | -120.5 | -99.7 | 0 | 0 | 0 | 112.2 | N4 G8 | N4-Y6 PolarHBondContact O-N 3.2Å; Y6-G8 PolarHBondContact O-N 3.29Å |
| 7 | M | 37.6 | Very low | 38.6 | Very low | 184 Ų | 184 | 156.1 Ų | 156.1 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | | | trans | -66.4 | 95.7 | 162.5 | -80.6 | -161.7 | 82.7 | 0 | 0 | 105.7 | Q5 T9 | Q5-M7 PolarHBondContact O-N 2.85Å; M7-T9 PolarHBondContact O-N 2.94Å |
| 8 | G | 35.6 | Very low | 38.3 | Very low | 48 Ų | 48 | 161.1 Ų | 161.1 | 50% | 0.495 | 82% | 0.824 | S | S | . | * | | | trans | -43.7 | 131.4 | 179 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y6 R10 | Y6-G8 PolarHBondContact O-N 3.29Å; G8-R10 PolarHBondContact O-N 2.71Å |
| 9 | T | 39.3 | Very low | 38 | Very low | 134 Ų | 134 | 157.5 Ų | 157.5 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | | | trans | -38.7 | 110.6 | 162.6 | 42.8 | 0 | 0 | 0 | 0 | 108.4 | M7 P11 | M7-T9 PolarHBondContact O-N 2.94Å; T9-P11 WeakPolarHBondContact O-CD 3.25Å; T9-P11 VanDerWaalsContact O-N 3.13Å |
| 10 | R | 38.3 | Very low | 38 | Very low | 228 Ų | 228 | 154.1 Ų | 154.1 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | | | trans | -55.9 | 122 | 172.2 | -70.1 | 176.8 | 164.5 | -164.9 | -3.9 | 105.9 | G8 A12 | G8-R10 PolarHBondContact O-N 2.71Å; R10-A12 PolarHBondContact O-N 3.3Å |
| 11 | P | 42.7 | Very low | 38 | Very low | 117 Ų | 117 | 151.6 Ų | 151.6 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | | | trans | -56.8 | 121.4 | -179.8 | 19.1 | -28.9 | 0 | 0 | 0 | 107.8 | T9 S13 | T9-P11 WeakPolarHBondContact O-CD 3.25Å; T9-P11 VanDerWaalsContact O-N 3.13Å; P11-S13 PolarHBondContact O-N 2.73Å |
| 12 | A | 39.3 | Very low | 38.1 | Very low | 86 Ų | 86 | 146.2 Ų | 146.2 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | | | trans | -42.2 | 125.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | R10 R14 | R10-A12 PolarHBondContact O-N 3.3Å; A12-R14 PolarHBondContact O-N 3.12Å |
| 13 | S | 40.5 | Very low | 38.1 | Very low | 108 Ų | 108 | 140.9 Ų | 140.9 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | trans | -0.8 | 95.3 | 161.3 | 41.2 | 0 | 0 | 0 | 0 | 113.2 | P11 N15 | P11-S13 PolarHBondContact O-N 2.73Å; S13-N15 PolarHBondContact O-N 2.86Å |
| 14 | R | 38.8 | Very low | 38 | Very low | 228 Ų | 228 | 142.4 Ų | 142.4 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | | | trans | -51.4 | 114.6 | 167.5 | -75 | -179.4 | 175.2 | -165.3 | -2.8 | 107.2 | A12 L16 | A12-R14 PolarHBondContact O-N 3.12Å; R14-L16 PolarHBondContact O-N 2.84Å |
| 15 | N | 36 | Very low | 38 | Very low | 153 Ų | 153 | 144.9 Ų | 144.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | -42.6 | 104.9 | 168.5 | -72.3 | -52 | 0 | 0 | 0 | 108.6 | S13 S17 | S13-N15 PolarHBondContact O-N 2.86Å; N15-S17 PolarHBondContact O-N 2.76Å |
| 16 | L | 40.7 | Very low | 37.9 | Very low | 169 Ų | 169 | 140.1 Ų | 140.1 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | | | trans | -65.4 | 106.3 | 164.9 | -69.9 | 171 | 0 | 0 | 0 | 104.9 | R14 R18 | R14-L16 PolarHBondContact O-N 2.84Å; L16-R18 PolarHBondContact O-N 3.14Å |
| 17 | S | 40.8 | Very low | 38 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | | | trans | -52.9 | 103.2 | 171.5 | -58.3 | 0 | 0 | 0 | 0 | 107.5 | N15 A19 | N15-S17 PolarHBondContact O-N 2.76Å; S17-A19 PolarHBondContact O-N 3.05Å |
| 18 | R | 33.8 | Very low | 38.2 | Very low | 246 Ų | 246 | 135 Ų | 135 | 93% | 0.928 | 77% | 0.769 | S | S | * | * | | | trans | -58.6 | 113.5 | 169.6 | -119.7 | 176.6 | -174.9 | -173.4 | 1.4 | 105.4 | L16 A20 | L16-R18 PolarHBondContact O-N 3.14Å; R18-A20 PolarHBondContact O-N 2.94Å; R18-A20 VanDerWaalsContact O-N 3.13Å |
| 19 | A | 32.2 | Very low | 38 | Very low | 94 Ų | 94 | 134.7 Ų | 134.7 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | | | trans | -49 | 125.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 107 | S17 S21 | S17-A19 PolarHBondContact O-N 3.05Å; A19-S21 PolarHBondContact O-N 3.41Å |
| 20 | A | 39 | Very low | 38.3 | Very low | 88 Ų | 88 | 134.4 Ų | 134.4 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | trans | -54.8 | 106.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | R18 T22 | R18-A20 PolarHBondContact O-N 2.94Å; R18-A20 VanDerWaalsContact O-N 3.13Å; A20-T22 PolarHBondContact O-N 3.06Å |
| 21 | S | 37.5 | Very low | 38.3 | Very low | 103 Ų | 103 | 133.8 Ų | 133.8 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | | | trans | -64.3 | 99.6 | 167.4 | -178.3 | 0 | 0 | 0 | 0 | 104.8 | A19 T23 | A19-S21 PolarHBondContact O-N 3.41Å; S21-T23 PolarHBondContact O-N 2.81Å |
| 22 | T | 39.3 | Very low | 38.1 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | | | trans | -68.6 | 74.9 | 169.5 | 54.3 | 0 | 0 | 0 | 0 | 107 | A20 V24 | A20-T22 PolarHBondContact O-N 3.06Å; T22-V24 PolarHBondContact O-N 3.25Å |
| 23 | T | 38.1 | Very low | 38 | Very low | 96 Ų | 96 | 139.3 Ų | 139.3 | 59% | 0.589 | 77% | 0.766 | S | S | * | * | | | trans | -68.6 | 94.5 | 156.9 | -45.4 | 0 | 0 | 0 | 0 | 103.9 | S21 Y25 | S21-T23 PolarHBondContact O-N 2.81Å; T23-Y25 VanDerWaalsContact C-N 3.25Å; T23-Y25 PolarHBondContact O-N 3.05Å |
| 24 | V | 35.7 | Very low | 38.1 | Very low | 124 Ų | 124 | 142 Ų | 142 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | | | trans | -59.6 | 95.8 | 174.4 | 178.6 | 0 | 0 | 0 | 0 | 106 | T22 G26 | T22-V24 PolarHBondContact O-N 3.25Å; V24-G26 PolarHBondContact O-N 2.81Å; V24-G26 VanDerWaalsContact O-N 3.08Å |
| 25 | Y | 38.3 | Very low | 38.1 | Very low | 215 Ų | 215 | 138.7 Ų | 138.7 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | | | trans | -66.1 | 108.2 | 174.7 | -99 | -92 | 0 | 0 | 0 | 107.5 | T23 | T23-Y25 VanDerWaalsContact C-N 3.25Å; T23-Y25 PolarHBondContact O-N 3.05Å |
| 26 | G | 37.7 | Very low | 38.3 | Very low | 64 Ų | 64 | 135.5 Ų | 135.5 | 66% | 0.66 | 77% | 0.765 | S | S | * | * | | | trans | 49.9 | 92.6 | 150.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | V24 S28 | V24-G26 PolarHBondContact O-N 2.81Å; V24-G26 VanDerWaalsContact O-N 3.08Å; G26-S28 PolarHBondContact O-N 2.82Å; G26-S28 VanDerWaalsContact O-N 3.14Å |
| 27 | Q | 37.2 | Very low | 38.2 | Very low | 192 Ų | 192 | 136.4 Ų | 136.4 | 90% | 0.897 | 77% | 0.765 | S | S | * | * | | | trans | -54.5 | 119.7 | 145.4 | -85.6 | -168 | -25 | 0 | 0 | 107.7 | G29 | Q27-G29 PolarHBondContact O-N 3.4Š|
| 28 | S | 41.1 | Very low | 38.1 | Very low | 104 Ų | 104 | 139.1 Ų | 139.1 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -57.8 | 98.1 | 173 | 48.1 | 0 | 0 | 0 | 0 | 109.2 | G26 | G26-S28 PolarHBondContact O-N 2.82Å; G26-S28 VanDerWaalsContact O-N 3.14Å |
| 29 | G | 32.6 | Very low | 38.6 | Very low | 43 Ų | 43 | 133.1 Ų | 133.1 | 44% | 0.443 | 76% | 0.757 | S | S | . | * | | | trans | -60.7 | 152.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110 | Q27 Y31 S32 | Q27-G29 PolarHBondContact O-N 3.4Å; G29-Y31 PolarHBondContact O-N 3.1Å; G29-S32 PolarHBondContact O-N 2.95Å |
| 30 | P | 44.3 | Very low | 39.3 | Very low | 127 Ų | 127 | 137.6 Ų | 137.6 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 8.6 | -170.9 | 26.5 | -34.7 | 0 | 0 | 0 | 115.4 | | |
| 31 | Y | 38.8 | Very low | 39.7 | Very low | 215 Ų | 215 | 142.1 Ų | 142.1 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | 21.8 | 175.4 | -58.4 | -70.7 | 0 | 0 | 0 | 113.3 | G29 R33 | G29-Y31 PolarHBondContact O-N 3.1Å; Y31-R33 PolarHBondContact O-N 2.98Å |
| 32 | S | 38.1 | Very low | 40.1 | Very low | 85 Ų | 85 | 144.8 Ų | 144.8 | 59% | 0.594 | 77% | 0.767 | S | S | * | * | | | trans | -71.2 | 74.7 | 175.4 | -159.2 | 0 | 0 | 0 | 0 | 110.7 | G29 L34 | G29-S32 PolarHBondContact O-N 2.95Å; S32-L34 VanDerWaalsContact C-N 3.33Å; S32-L34 PolarHBondContact O-N 2.96Å |
| 33 | R | 38.2 | Very low | 40.8 | Very low | 235 Ų | 235 | 143.7 Ų | 143.7 | 89% | 0.887 | 76% | 0.762 | S | S | * | * | | | trans | -69.7 | 96.3 | 165.8 | -72.1 | -171.8 | 176.8 | -176 | -0.4 | 107.6 | Y31 N35 | Y31-R33 PolarHBondContact O-N 2.98Å; R33-N35 PolarHBondContact O-N 2.8Å |
| 34 | L | 41.9 | Very low | 41.9 | Very low | 165 Ų | 165 | 146 Ų | 146 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | | | trans | -55.6 | 84.8 | 160.5 | -77 | 154.5 | 0 | 0 | 0 | 108.6 | S32 | S32-L34 VanDerWaalsContact C-N 3.33Å; S32-L34 PolarHBondContact O-N 2.96Å |
| 35 | N | 39.1 | Very low | 42.6 | Very low | 158 Ų | 158 | 147.4 Ų | 147.4 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | | | trans | -100.7 | 100.5 | 159.2 | -114.7 | -6.8 | 0 | 0 | 0 | 107.6 | R33 | R33-N35 PolarHBondContact O-N 2.8Š|
| 36 | A | 39.6 | Very low | 43.1 | Very low | 85 Ų | 85 | 139.7 Ų | 139.7 | 70% | 0.702 | 76% | 0.759 | S | S | * | * | | | trans | -53.7 | 151.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 37 | Q | 39.8 | Very low | 43.8 | Very low | 188 Ų | 188 | 145.7 Ų | 145.7 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | | | trans | 74.9 | 59.2 | 169.5 | -51.9 | -176.2 | -7.2 | 0 | 0 | 116.6 | | |
| 38 | Q | 37.3 | Very low | 44.7 | Very low | 177 Ų | 177 | 141.9 Ų | 141.9 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | | | trans | -108.8 | 120.4 | 135.6 | -82.5 | -171.1 | -0.9 | 0 | 0 | 108.2 | Q40 | Q38-Q40 PolarHBondContact O-N 2.99Š|
| 39 | P | 45.5 | Very low | 45.5 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | trans | -57 | 120 | 170.7 | 22.6 | -29 | 0 | 0 | 0 | 106.9 | Q41 | P39-Q41 PolarHBondContact O-N 3.17Š|
| 40 | Q | 46.3 | Very low | 46.6 | Very low | 189 Ų | 189 | 147.2 Ų | 147.2 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | | | trans | -48.5 | 108.1 | 178.1 | -69.4 | -113.2 | -18 | 0 | 0 | 107.9 | Q38 K42 | Q38-Q40 PolarHBondContact O-N 2.99Å; Q40-K42 VanDerWaalsContact C-N 3.3Å; Q40-K42 PolarHBondContact O-N 2.83Å |
| 41 | Q | 48 | Very low | 47.2 | Very low | 183 Ų | 183 | 149 Ų | 149 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | | | trans | -62.3 | 102.5 | 171 | -76.8 | -175.3 | 20 | 0 | 0 | 105.8 | P39 | P39-Q41 PolarHBondContact O-N 3.17Š|
| 42 | K | 45.9 | Very low | 48.1 | Very low | 158 Ų | 158 | 142.7 Ų | 142.7 | 69% | 0.687 | 76% | 0.758 | S | S | * | * | | | trans | -53.3 | 125.4 | 172.7 | -147.9 | 179.3 | -173.2 | -173.3 | 0 | 105.4 | Q40 V44 | Q40-K42 VanDerWaalsContact C-N 3.3Å; Q40-K42 PolarHBondContact O-N 2.83Å; K42-V44 PolarHBondContact O-N 2.87Å; K42-V44 VanDerWaalsContact O-N 3.11Å |
| 43 | P | 52.6 | Low | 49 | Very low | 95 Ų | 95 | 146.5 Ų | 146.5 | 62% | 0.617 | 77% | 0.767 | S | S | * | * | | | trans | -55 | 127.3 | -179.5 | 16.8 | -26.6 | 0 | 0 | 0 | 107.6 | N45 A46 | P43-N45 PolarHBondContact O-N 2.92Å; P43-A46 HydrophobicContact CG-CB 4.28Å; P43-A46 WeakPolarHBondContact O-CB 3.38Å; P43-A46 PolarHBondContact O-N 2.77Å |
| 44 | V | 61.1 | Low | 49.9 | Very low | 144 Ų | 144 | 140.5 Ų | 140.5 | 87% | 0.873 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -13.7 | -172.2 | 178.2 | 0 | 0 | 0 | 0 | 112.6 | K42 | K42-V44 PolarHBondContact O-N 2.87Å; K42-V44 VanDerWaalsContact O-N 3.11Å |
| 45 | N | 50.7 | Low | 51.1 | Low | 154 Ų | 154 | 141.2 Ų | 141.2 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | 12.6 | 177.7 | -71.1 | 1.1 | 0 | 0 | 0 | 114.9 | P43 K47 | P43-N45 PolarHBondContact O-N 2.92Å; N45-K47 VanDerWaalsContact C-N 3.29Å; N45-K47 PolarHBondContact O-N 3.14Å |
| 46 | A | 49.7 | Very low | 52.6 | Low | 53 Ų | 53 | 142.7 Ų | 142.7 | 44% | 0.438 | 76% | 0.759 | S | S | . | * | | | trans | -68.2 | 95.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | P43 D48 | P43-A46 HydrophobicContact CG-CB 4.28Å; P43-A46 WeakPolarHBondContact O-CB 3.38Å; P43-A46 PolarHBondContact O-N 2.77Å; A46-D48 PolarHBondContact O-N 2.81Å |
| 47 | K | 53 | Low | 54.2 | Low | 190 Ų | 190 | 142.7 Ų | 142.7 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | | | trans | -42.2 | 128.5 | 167.2 | -124.1 | 175.6 | 177.8 | -174.9 | 0 | 107.9 | N45 N49 | N45-K47 VanDerWaalsContact C-N 3.29Å; N45-K47 PolarHBondContact O-N 3.14Å; K47-N49 PolarHBondContact O-N 2.8Å; K47-N49 VanDerWaalsContact O-N 3.07Å |
| 48 | D | 55.6 | Low | 55.9 | Low | 112 Ų | 112 | 139 Ų | 139 | 60% | 0.599 | 74% | 0.736 | S | S | * | * | | | trans | -59.1 | 116.8 | 179.7 | -155.3 | 8.9 | 0 | 0 | 0 | 107.7 | A46 N50 | A46-D48 PolarHBondContact O-N 2.81Å; D48-N50 VanDerWaalsContact CG-ND2 3.31Å; D48-N50 PolarHBondContact O-N 2.81Å; D48-N50 PolarHBondContact OD2-ND2 3.31Å |
| 49 | N | 56.4 | Low | 57.9 | Low | 146 Ų | 146 | 137.8 Ų | 137.8 | 78% | 0.781 | 73% | 0.725 | S | S | * | * | | | trans | -75.8 | 46.9 | 177.9 | -69.1 | -32.2 | 0 | 0 | 0 | 109.1 | K47 D51 | K47-N49 PolarHBondContact O-N 2.8Å; K47-N49 VanDerWaalsContact O-N 3.07Å; N49-D51 PolarHBondContact O-N 3.39Å |
| 50 | N | 56.5 | Low | 59.7 | Low | 114 Ų | 114 | 134.9 Ų | 134.9 | 61% | 0.61 | 71% | 0.707 | S | S | * | * | | | trans | -66.6 | 119.7 | 163 | -72.3 | -44 | 0 | 0 | 0 | 105 | D48 A52 | D48-N50 VanDerWaalsContact CG-ND2 3.31Å; D48-N50 PolarHBondContact O-N 2.81Å; D48-N50 PolarHBondContact OD2-ND2 3.31Å; N50-A52 PolarHBondContact O-N 2.79Å |
| 51 | D | 57.3 | Low | 61.5 | Low | 165 Ų | 165 | 128.3 Ų | 128.3 | 88% | 0.882 | 68% | 0.676 | S | S | * | * | | | trans | -62.3 | 42.3 | 170.4 | -59.6 | -56.4 | 0 | 0 | 0 | 111.1 | N49 E53 | N49-D51 PolarHBondContact O-N 3.39Å; D51-E53 PolarHBondContact O-N 2.96Å |
| 52 | A | 57.4 | Low | 63.1 | Low | 82 Ų | 82 | 124.3 Ų | 124.3 | 68% | 0.678 | 66% | 0.658 | S | S | * | * | | | trans | -62.3 | 109.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 105.4 | N50 | N50-A52 PolarHBondContact O-N 2.79Š|
| 53 | E | 57.9 | Low | 65.2 | Low | 165 Ų | 165 | 123.6 Ų | 123.6 | 77% | 0.771 | 66% | 0.662 | S | S | * | * | | | trans | -16.4 | 127.5 | 163 | -78.3 | -73.4 | 136.7 | 0 | 0 | 111.1 | D51 E55 | D51-E53 PolarHBondContact O-N 2.96Å; E53-E55 PolarHBondContact O-N 3.17Å |
| 54 | P | 56.9 | Low | 66.7 | Low | 108 Ų | 108 | 121.9 Ų | 121.9 | 70% | 0.701 | 65% | 0.648 | S | S | * | * | | | trans | -53.3 | 106.1 | -174.2 | 24.2 | -33.2 | 0 | 0 | 0 | 107.6 | E56 | P54-E56 PolarHBondContact O-N 3.43Š|
| 55 | E | 65.7 | Low | 68 | Low | 181 Ų | 181 | 118.8 Ų | 118.8 | 85% | 0.846 | 63% | 0.631 | S | S | * | * | | | trans | -52.7 | 107.3 | -179.4 | -169.1 | 174.2 | -163.9 | 0 | 0 | 105.5 | E53 V57 | E53-E55 PolarHBondContact O-N 3.17Å; E55-V57 PolarHBondContact O-N 3.17Å |
| 56 | E | 70.5 | Confident | 69.5 | Low | 189 Ų | 189 | 115.4 Ų | 115.4 | 88% | 0.883 | 62% | 0.615 | S | S | * | * | | | trans | -63.9 | 97.1 | -177.5 | -75.8 | -171.9 | 174 | 0 | 0 | 105.6 | P54 D58 | P54-E56 PolarHBondContact O-N 3.43Å; E56-D58 PolarHBondContact O-N 3.32Å |
| 57 | V | 73.2 | Confident | 71 | Confident | 85 Ų | 85 | 122.8 Ų | 122.8 | 52% | 0.515 | 63% | 0.632 | S | S | . | * | | | trans | -60 | 111.2 | 179.8 | 177.7 | 0 | 0 | 0 | 0 | 106 | E55 Y59 | E55-V57 PolarHBondContact O-N 3.17Å; V57-Y59 HydrophobicContact CB-CD2 4.29Å; V57-Y59 HydrophobicContact CB-CE1 4.45Å; V57-Y59 HydrophobicContact CB-CE2 3.62Å; V57-Y59 HydrophobicContact CG1-CD1 4.25Å; V57-Y59 HydrophobicContact CG1-CD2 4.32Å; V57-Y59 HydrophobicContact CG1-CE1 3.73Å; V57-Y59 HydrophobicContact CG1-CE2 3.8Å; V57-Y59 VanDerWaalsContact CG1-CZ 3.46Å; V57-Y59 WeakPolarHBondContact O-CD2 3.24Å; V57-Y59 WeakPolarHBondContact O-CE2 3.43Å; V57-Y59 PolarHBondContact O-N 3.1Å |
| 58 | D | 75.9 | Confident | 72.4 | Confident | 110 Ų | 110 | 118.1 Ų | 118.1 | 59% | 0.588 | 61% | 0.613 | S | S | * | * | | | trans | -69 | 99.6 | -179 | -177.8 | 16.1 | 0 | 0 | 0 | 109.5 | E56 S60 F61 | E56-D58 PolarHBondContact O-N 3.32Å; D58-S60 PolarHBondContact O-N 3.29Å; D58-S60 WeakPolarHBondContact OD1-CA 3.38Å; D58-S60 WeakPolarHBondContact OD1-CB 3.46Å; D58-S60 PolarHBondContact OD1-N 3.43Å; D58-S60 PolarHBondContact OD1-OG 3.17Å; D58-S60 PolarHBondContact OD2-OG 3.13Å; D58-F61 VanDerWaalsContact O-CD1 3.3Å; D58-F61 WeakPolarHBondContact O-CD1 3.48Å; D58-F61 WeakPolarHBondContact O-CE1 3.3Å |
| 59 | Y | 80.7 | Confident | 73.7 | Confident | 151 Ų | 151 | 115.9 Ų | 115.9 | 59% | 0.592 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -85.3 | 13.6 | 174.1 | -63.2 | -75.3 | 0 | 0 | 0 | 112.5 | V57 F61 M62 | V57-Y59 HydrophobicContact CB-CD2 4.29Å; V57-Y59 HydrophobicContact CB-CE1 4.45Å; V57-Y59 HydrophobicContact CB-CE2 3.62Å; V57-Y59 HydrophobicContact CG1-CD1 4.25Å; V57-Y59 HydrophobicContact CG1-CD2 4.32Å; V57-Y59 HydrophobicContact CG1-CE1 3.73Å; V57-Y59 HydrophobicContact CG1-CE2 3.8Å; V57-Y59 VanDerWaalsContact CG1-CZ 3.46Å; V57-Y59 WeakPolarHBondContact O-CD2 3.24Å; V57-Y59 WeakPolarHBondContact O-CE2 3.43Å; V57-Y59 PolarHBondContact O-N 3.1Å; Y59-F61 HydrophobicContact CD1-CE1 4.16Å; Y59-F61 HydrophobicContact CD1-CZ 4.19Å; Y59-F61 PolarHBondContact O-N 2.65Å; Y59-F61 VanDerWaalsContact O-N 3.1Å; Y59-M62 VanDerWaalsContact O-CB 3.26Å; Y59-M62 WeakPolarHBondContact O-CB 3.14Å; Y59-M62 PolarHBondContact O-N 3.17Å |
| 60 | S | 83.2 | Confident | 74.6 | Confident | 58 Ų | 58 | 117 Ų | 117 | 41% | 0.406 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -53.2 | -32.6 | 178.2 | 64.1 | 0 | 0 | 0 | 0 | 112.6 | D58 M62 N63 | D58-S60 PolarHBondContact O-N 3.29Å; D58-S60 WeakPolarHBondContact OD1-CA 3.38Å; D58-S60 WeakPolarHBondContact OD1-CB 3.46Å; D58-S60 PolarHBondContact OD1-N 3.43Å; D58-S60 PolarHBondContact OD1-OG 3.17Å; D58-S60 PolarHBondContact OD2-OG 3.13Å; S60-M62 PolarHBondContact O-N 2.66Å; S60-M62 VanDerWaalsContact O-N 3.14Å; S60-N63 WeakPolarHBondContact O-CB 3.49Å; S60-N63 PolarHBondContact O-N 2.67Å |
| 61 | F | 82.9 | Confident | 75.8 | Confident | 51 Ų | 51 | 118.5 Ų | 118.5 | 22% | 0.224 | 59% | 0.59 | C | S | . | * | G | 310 helix | trans | -60 | -24.2 | 175.7 | 69.9 | -90.9 | 0 | 0 | 0 | 113.5 | D58 Y59 N63 L64 R69 L72 F73 | D58-F61 VanDerWaalsContact O-CD1 3.3Å; D58-F61 WeakPolarHBondContact O-CD1 3.48Å; D58-F61 WeakPolarHBondContact O-CE1 3.3Å; Y59-F61 HydrophobicContact CD1-CE1 4.16Å; Y59-F61 HydrophobicContact CD1-CZ 4.19Å; Y59-F61 PolarHBondContact O-N 2.65Å; Y59-F61 VanDerWaalsContact O-N 3.1Å; F61-N63 PolarHBondContact O-N 3.37Å; F61-L64 HydrophobicContact CB-CD1 4.12Å; F61-L64 VanDerWaalsContact O-CB 3.27Å; F61-L64 WeakPolarHBondContact O-CB 3.29Å; F61-L64 PolarHBondContact O-N 3.3Å; F61-R69 HydrophobicContact CD2-CG 4.36Å; F61-R69 WeakPolarHBondContact O-CD 3.25Å; F61-R69 WeakPolarHBondContact O-CG 3.27Å; F61-L72 HydrophobicContact CB-CD1 3.37Å; F61-L72 HydrophobicContact CG-CD1 4.18Å; F61-F73 HydrophobicContact CD2-CZ 4.47Å; F61-F73 HydrophobicContact CE2-CZ 4.02Å |
| 62 | M | 81.9 | Confident | 76.7 | Confident | 99 Ų | 99 | 115.5 Ų | 115.5 | 49% | 0.488 | 57% | 0.574 | S | S | . | * | G | 310 helix | trans | -64.8 | -24.3 | 176.3 | -69.6 | -63.5 | -74 | 0 | 0 | 112.7 | Y59 S60 L64 | Y59-M62 VanDerWaalsContact O-CB 3.26Å; Y59-M62 WeakPolarHBondContact O-CB 3.14Å; Y59-M62 PolarHBondContact O-N 3.17Å; S60-M62 PolarHBondContact O-N 2.66Å; S60-M62 VanDerWaalsContact O-N 3.14Å; M62-L64 VanDerWaalsContact C-N 3.28Å |
| 63 | N | 89.6 | Confident | 77.4 | Confident | 144 Ų | 144 | 118.7 Ų | 118.7 | 77% | 0.77 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -77 | -15.1 | 174.1 | -60.2 | -35.7 | 0 | 0 | 0 | 112.6 | S60 F61 | S60-N63 WeakPolarHBondContact O-CB 3.49Å; S60-N63 PolarHBondContact O-N 2.67Å; F61-N63 PolarHBondContact O-N 3.37Å |
| 64 | L | 85.3 | Confident | 77.9 | Confident | 59 Ų | 59 | 117.1 Ų | 117.1 | 31% | 0.309 | 57% | 0.569 | S | S | . | * | S | Bend | trans | -72.8 | 145.8 | 179 | -61.1 | 171.2 | 0 | 0 | 0 | 111 | F61 M62 E68 R69 L72 | F61-L64 HydrophobicContact CB-CD1 4.12Å; F61-L64 VanDerWaalsContact O-CB 3.27Å; F61-L64 WeakPolarHBondContact O-CB 3.29Å; F61-L64 PolarHBondContact O-N 3.3Å; M62-L64 VanDerWaalsContact C-N 3.28Å; L64-E68 HydrophobicContact CB-CB 4.12Å; L64-R69 HydrophobicContact CB-CG 3.91Å; L64-R69 PolarHBondContact O-NE 3.04Å; L64-R69 PolarHBondContact O-NH2 2.83Å; L64-L72 HydrophobicContact CD1-CD1 3.9Å |
| 65 | P | 88.1 | Confident | 77.7 | Confident | 79 Ų | 79 | 114.5 Ų | 114.5 | 51% | 0.513 | 56% | 0.562 | S | S | . | * | | | trans | -49.5 | 146 | 166.1 | -26.6 | 34.3 | 0 | 0 | 0 | 111.8 | R67 E68 R69 | P65-R67 PolarHBondContact O-N 3.07Å; P65-R67 VanDerWaalsContact O-N 3.09Å; P65-E68 WeakPolarHBondContact CD-OE2 3.25Å; P65-E68 WeakPolarHBondContact O-CA 3.48Å; P65-E68 PolarHBondContact O-N 2.89Å; P65-R69 PolarHBondContact O-N 2.69Å |
| 66 | V | 81.2 | Confident | 77.1 | Confident | 82 Ų | 82 | 110.1 Ų | 110.1 | 50% | 0.497 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -53.1 | -38.1 | -176.6 | 176.7 | 0 | 0 | 0 | 0 | 112.3 | E68 R69 R70 | V66-E68 VanDerWaalsContact C-N 3.29Å; V66-E68 PolarHBondContact O-N 3.11Å; V66-R69 PolarHBondContact O-N 3.33Å; V66-R70 WeakPolarHBondContact O-CG 3.47Å; V66-R70 PolarHBondContact O-N 2.69Å |
| 67 | R | 81.1 | Confident | 75.9 | Confident | 208 Ų | 208 | 104 Ų | 104 | 79% | 0.785 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.1 | -37.1 | 177.3 | -175.1 | -176.4 | -68.7 | 177.2 | -1.1 | 112.3 | P65 | P65-R67 PolarHBondContact O-N 3.07Å; P65-R67 VanDerWaalsContact O-N 3.09Å |
| 68 | E | 82.3 | Confident | 74.8 | Confident | 93 Ų | 93 | 108 Ų | 108 | 44% | 0.435 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -79.9 | -40.2 | -179.3 | -68.1 | -177.8 | 176.6 | 0 | 0 | 111.4 | L64 P65 V66 R70 K71 | L64-E68 HydrophobicContact CB-CB 4.12Å; P65-E68 WeakPolarHBondContact CD-OE2 3.25Å; P65-E68 WeakPolarHBondContact O-CA 3.48Å; P65-E68 PolarHBondContact O-N 2.89Å; V66-E68 VanDerWaalsContact C-N 3.29Å; V66-E68 PolarHBondContact O-N 3.11Å; E68-R70 VanDerWaalsContact C-N 3.32Å; E68-R70 PolarHBondContact O-N 3.19Å; E68-K71 WeakPolarHBondContact O-CB 3.09Å; E68-K71 PolarHBondContact O-N 3Å |
| 69 | R | 83 | Confident | 73.7 | Confident | 65 Ų | 65 | 107.6 Ų | 107.6 | 25% | 0.245 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -55.5 | -44.1 | 173.7 | -79 | -172.4 | -95 | -179.5 | -3.1 | 113.5 | F61 L64 P65 V66 K71 L72 F73 | F61-R69 HydrophobicContact CD2-CG 4.36Å; F61-R69 WeakPolarHBondContact O-CD 3.25Å; F61-R69 WeakPolarHBondContact O-CG 3.27Å; L64-R69 HydrophobicContact CB-CG 3.91Å; L64-R69 PolarHBondContact O-NE 3.04Å; L64-R69 PolarHBondContact O-NH2 2.83Å; P65-R69 PolarHBondContact O-N 2.69Å; V66-R69 PolarHBondContact O-N 3.33Å; R69-K71 PolarHBondContact O-N 3.19Å; R69-L72 WeakPolarHBondContact O-CB 3.23Å; R69-L72 PolarHBondContact O-N 3.16Å; R69-F73 VanDerWaalsContact O-CD2 3.26Å; R69-F73 WeakPolarHBondContact O-CD2 3.5Å |
| 70 | R | 76.4 | Confident | 72.3 | Confident | 170 Ų | 170 | 106.3 Ų | 106.3 | 64% | 0.642 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -58.1 | -31.3 | 179.7 | -74.3 | 179.7 | -179.6 | -177.7 | -0.2 | 112.1 | V66 E68 L72 F73 L74 | V66-R70 WeakPolarHBondContact O-CG 3.47Å; V66-R70 PolarHBondContact O-N 2.69Å; E68-R70 VanDerWaalsContact C-N 3.32Å; E68-R70 PolarHBondContact O-N 3.19Å; R70-L72 VanDerWaalsContact C-N 3.28Å; R70-L72 PolarHBondContact O-N 2.83Å; R70-F73 PolarHBondContact O-N 3.12Å; R70-L74 WeakPolarHBondContact O-CB 3.42Å; R70-L74 WeakPolarHBondContact O-CD1 3.15Å; R70-L74 PolarHBondContact O-N 3.05Å |
| 71 | K | 80.4 | Confident | 70.5 | Confident | 144 Ų | 144 | 107.4 Ų | 107.4 | 63% | 0.626 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.4 | -28 | 177.5 | -60.2 | -178.5 | 179.9 | -179.2 | 0 | 113 | E68 R69 F73 | E68-K71 WeakPolarHBondContact O-CB 3.09Å; E68-K71 PolarHBondContact O-N 3Å; R69-K71 PolarHBondContact O-N 3.19Å; K71-F73 VanDerWaalsContact C-N 3.34Å |
| 72 | L | 76.4 | Confident | 68.8 | Low | 103 Ų | 103 | 112 Ų | 112 | 54% | 0.539 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -69.7 | -34.3 | 177 | -58.4 | 175.9 | 0 | 0 | 0 | 111.8 | F61 L64 R69 R70 | F61-L72 HydrophobicContact CB-CD1 3.37Å; F61-L72 HydrophobicContact CG-CD1 4.18Å; L64-L72 HydrophobicContact CD1-CD1 3.9Å; R69-L72 WeakPolarHBondContact O-CB 3.23Å; R69-L72 PolarHBondContact O-N 3.16Å; R70-L72 VanDerWaalsContact C-N 3.28Å; R70-L72 PolarHBondContact O-N 2.83Å |
| 73 | F | 73.9 | Confident | 66.9 | Low | 149 Ų | 149 | 115.3 Ų | 115.3 | 65% | 0.654 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -86.6 | -24 | 177 | -58.7 | -73.5 | 0 | 0 | 0 | 112.9 | F61 R69 R70 K71 G75 | F61-F73 HydrophobicContact CD2-CZ 4.47Å; F61-F73 HydrophobicContact CE2-CZ 4.02Å; R69-F73 VanDerWaalsContact O-CD2 3.26Å; R69-F73 WeakPolarHBondContact O-CD2 3.5Å; R70-F73 PolarHBondContact O-N 3.12Å; K71-F73 VanDerWaalsContact C-N 3.34Å; F73-G75 PolarHBondContact O-N 2.71Å; F73-G75 VanDerWaalsContact O-N 3.12Å |
| 74 | L | 67.3 | Low | 64.6 | Low | 132 Ų | 132 | 117.5 Ų | 117.5 | 69% | 0.691 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -84.9 | 46.3 | 171.8 | -86.8 | 71.8 | 0 | 0 | 0 | 110.4 | R70 G76 | R70-L74 WeakPolarHBondContact O-CB 3.42Å; R70-L74 WeakPolarHBondContact O-CD1 3.15Å; R70-L74 PolarHBondContact O-N 3.05Å; L74-G76 PolarHBondContact O-N 2.83Å; L74-G76 VanDerWaalsContact O-N 3.13Å |
| 75 | G | 53.4 | Low | 62.1 | Low | 53 Ų | 53 | 117.3 Ų | 117.3 | 55% | 0.546 | 64% | 0.636 | S | S | . | * | | | trans | -48.3 | 124.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | F73 G77 | F73-G75 PolarHBondContact O-N 2.71Å; F73-G75 VanDerWaalsContact O-N 3.12Å; G75-G77 PolarHBondContact O-N 2.81Å |
| 76 | G | 52.2 | Low | 59.9 | Low | 89 Ų | 89 | 123.3 Ų | 123.3 | 92% | 0.918 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -65.5 | 26.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L74 | L74-G76 PolarHBondContact O-N 2.83Å; L74-G76 VanDerWaalsContact O-N 3.13Å |
| 77 | G | 46.1 | Very low | 58 | Low | 60 Ų | 60 | 126.7 Ų | 126.7 | 62% | 0.619 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -69.9 | 127.7 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | G75 | G75-G77 PolarHBondContact O-N 2.81Š|
| 78 | Q | 50.4 | Low | 56 | Low | 168 Ų | 168 | 124.3 Ų | 124.3 | 79% | 0.785 | 66% | 0.662 | S | S | * | * | | | trans | -42.2 | 132 | 165.6 | -169.8 | 173.7 | 2.5 | 0 | 0 | 108.4 | | |
| 79 | P | 52.2 | Low | 53.9 | Low | 103 Ų | 103 | 125.2 Ų | 125.2 | 67% | 0.669 | 68% | 0.679 | S | S | * | * | | | trans | -49.2 | 137.3 | 175.7 | 21.9 | -32.9 | 0 | 0 | 0 | 107.2 | S81 | P79-S81 VanDerWaalsContact C-N 3.34Å; P79-S81 PolarHBondContact O-N 2.78Å |
| 80 | P | 50.1 | Low | 52.3 | Low | 124 Ų | 124 | 130 Ų | 130 | 81% | 0.805 | 71% | 0.708 | S | S | * | * | | | trans | -50.1 | 108.3 | 179.2 | 17.9 | -29.1 | 0 | 0 | 0 | 106.9 | I82 | P80-I82 PolarHBondContact O-N 3.4Š|
| 81 | S | 46.6 | Very low | 50.5 | Low | 81 Ų | 81 | 128 Ų | 128 | 57% | 0.566 | 72% | 0.715 | S | S | * | * | | | trans | -56.7 | 113.8 | 171.4 | 164.7 | 0 | 0 | 0 | 0 | 103.1 | P79 Q83 | P79-S81 VanDerWaalsContact C-N 3.34Å; P79-S81 PolarHBondContact O-N 2.78Å; S81-Q83 PolarHBondContact O-N 3.44Å |
| 82 | I | 46.2 | Very low | 48.6 | Very low | 148 Ų | 148 | 128.6 Ų | 128.6 | 76% | 0.759 | 72% | 0.722 | S | S | * | * | | | trans | -64.1 | 86 | 164.6 | -58.7 | 169.3 | 0 | 0 | 0 | 102.9 | P80 R84 | P80-I82 PolarHBondContact O-N 3.4Å; I82-R84 HydrophobicContact CG2-CG 4.32Å; I82-R84 PolarHBondContact O-N 3.24Å |
| 83 | Q | 41.6 | Very low | 47.2 | Very low | 167 Ų | 167 | 129.7 Ų | 129.7 | 78% | 0.78 | 74% | 0.735 | S | S | * | * | | | trans | -59 | 97.8 | 161.5 | -68.2 | -175.4 | -0.7 | 0 | 0 | 102.1 | S81 G85 | S81-Q83 PolarHBondContact O-N 3.44Å; Q83-G85 PolarHBondContact O-N 3.23Å |
| 84 | R | 41.6 | Very low | 45.6 | Very low | 191 Ų | 191 | 133.7 Ų | 133.7 | 72% | 0.721 | 75% | 0.746 | S | S | * | * | | | trans | -62.4 | 71.4 | 162 | -75.4 | -175 | 174.8 | -131.8 | 2 | 105.3 | I82 Y86 | I82-R84 HydrophobicContact CG2-CG 4.32Å; I82-R84 PolarHBondContact O-N 3.24Å; R84-Y86 HydrophobicContact CB-CD2 4.42Å; R84-Y86 HydrophobicContact CB-CE2 4.19Å; R84-Y86 WeakPolarHBondContact O-CD2 3.09Å; R84-Y86 PolarHBondContact O-N 2.81Å |
| 85 | G | 34.6 | Very low | 44.4 | Very low | 55 Ų | 55 | 135.9 Ų | 135.9 | 57% | 0.567 | 75% | 0.75 | S | S | * | * | | | trans | -65.1 | 96.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 104.4 | Q83 L87 | Q83-G85 PolarHBondContact O-N 3.23Å; G85-L87 PolarHBondContact O-N 2.92Å |
| 86 | Y | 41.4 | Very low | 43.9 | Very low | 204 Ų | 204 | 142.8 Ų | 142.8 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | 22.8 | 179.8 | -86.2 | -84.6 | 0 | 0 | 0 | 114.6 | R84 | R84-Y86 HydrophobicContact CB-CD2 4.42Å; R84-Y86 HydrophobicContact CB-CE2 4.19Å; R84-Y86 WeakPolarHBondContact O-CD2 3.09Å; R84-Y86 PolarHBondContact O-N 2.81Å |
| 87 | L | 41 | Very low | 43.2 | Very low | 153 Ų | 153 | 144.9 Ų | 144.9 | 80% | 0.801 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.8 | 0.4 | -167.1 | -87.2 | 151.3 | 0 | 0 | 0 | 116.1 | G85 | G85-L87 PolarHBondContact O-N 2.92Š|
| 88 | H | 39.6 | Very low | 42.9 | Very low | 159 Ų | 159 | 149.3 Ų | 149.3 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -117.8 | 82.6 | 172.7 | -62.9 | 90.6 | 0 | 0 | 0 | 110.4 | L90 | H88-L90 PolarHBondContact O-N 3.05Š|
| 89 | S | 37.7 | Very low | 42.5 | Very low | 112 Ų | 112 | 147.3 Ų | 147.3 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | | | trans | 16.2 | 44.7 | 147.2 | 64.4 | 0 | 0 | 0 | 0 | 120.1 | T91 | S89-T91 PolarHBondContact O-N 2.8Š|
| 90 | L | 48.6 | Very low | 41.8 | Very low | 164 Ų | 164 | 148.6 Ų | 148.6 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | | | trans | -80.2 | 82.5 | 155.3 | -66.2 | 175.6 | 0 | 0 | 0 | 105.9 | H88 M92 | H88-L90 PolarHBondContact O-N 3.05Å; L90-M92 PolarHBondContact O-N 2.96Å |
| 91 | T | 38.6 | Very low | 41 | Very low | 128 Ų | 128 | 148.6 Ų | 148.6 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | | | trans | -36.7 | 103.9 | 168.1 | -59.8 | 0 | 0 | 0 | 0 | 107.8 | S89 | S89-T91 PolarHBondContact O-N 2.8Š|
| 92 | M | 40.4 | Very low | 40.6 | Very low | 157 Ų | 157 | 152.6 Ų | 152.6 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | | | trans | -52.1 | 132.6 | 178.7 | -73.6 | -110.1 | -77.2 | 0 | 0 | 106.8 | L90 R94 | L90-M92 PolarHBondContact O-N 2.96Å; M92-R94 PolarHBondContact O-N 2.98Å |
| 93 | P | 48.4 | Very low | 40.2 | Very low | 127 Ų | 127 | 153.1 Ų | 153.1 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | | | trans | -52.2 | 105.5 | 175.1 | -23.1 | 31.3 | 0 | 0 | 0 | 107.6 | K95 | P93-K95 PolarHBondContact O-N 3.2Š|
| 94 | R | 40.5 | Very low | 39.9 | Very low | 232 Ų | 232 | 152.2 Ų | 152.2 | 88% | 0.875 | 76% | 0.76 | S | S | * | * | | | trans | -58.5 | 119.1 | 178.6 | -169.3 | 179.7 | -147.9 | 158.8 | 5.7 | 105 | M92 R96 | M92-R94 PolarHBondContact O-N 2.98Å; R94-R96 PolarHBondContact O-N 2.96Å |
| 95 | K | 40.6 | Very low | 39.7 | Very low | 179 Ų | 179 | 152.5 Ų | 152.5 | 78% | 0.778 | 76% | 0.761 | S | S | * | * | | | trans | -46.1 | 109.8 | 173.3 | -161.8 | -176.4 | -176.2 | -169.9 | 0 | 105.5 | P93 N97 | P93-K95 PolarHBondContact O-N 3.2Å; K95-N97 VanDerWaalsContact C-N 3.33Å; K95-N97 PolarHBondContact O-N 2.96Å |
| 96 | R | 43.2 | Very low | 40 | Very low | 198 Ų | 198 | 160.6 Ų | 160.6 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | | | trans | -62.3 | 108 | 176.3 | -73.6 | -175 | 177.9 | 174 | 3.8 | 103.2 | R94 D98 | R94-R96 PolarHBondContact O-N 2.96Å; R96-D98 PolarHBondContact O-N 3.11Å |
| 97 | N | 38.6 | Very low | 40.1 | Very low | 133 Ų | 133 | 159.2 Ų | 159.2 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | | | trans | -51.9 | 131.9 | 165 | -75.6 | -17.1 | 0 | 0 | 0 | 105.2 | K95 V99 | K95-N97 VanDerWaalsContact C-N 3.33Å; K95-N97 PolarHBondContact O-N 2.96Å; N97-V99 HydrophobicContact CB-CG2 4.11Å; N97-V99 PolarHBondContact O-N 3.41Å |
| 98 | D | 39.6 | Very low | 39.9 | Very low | 152 Ų | 152 | 157.8 Ų | 157.8 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | | | trans | -64.3 | 67.3 | 176.5 | -57.6 | -59.9 | 0 | 0 | 0 | 108.5 | R96 N100 | R96-D98 PolarHBondContact O-N 3.11Å; D98-N100 VanDerWaalsContact C-N 3.26Å; D98-N100 PolarHBondContact O-N 3.07Å; D98-N100 VanDerWaalsContact O-N 3.08Å |
| 99 | V | 42.3 | Very low | 40 | Very low | 126 Ų | 126 | 158 Ų | 158 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | | | trans | -81.4 | 93.9 | 169.9 | -174.8 | 0 | 0 | 0 | 0 | 103.7 | N97 | N97-V99 HydrophobicContact CB-CG2 4.11Å; N97-V99 PolarHBondContact O-N 3.41Å |
| 100 | N | 35.8 | Very low | 40.2 | Very low | 130 Ų | 130 | 157.7 Ų | 157.7 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | | | trans | -20.4 | 151.4 | 155.6 | -67.9 | -57.7 | 0 | 0 | 0 | 113.7 | D98 | D98-N100 VanDerWaalsContact C-N 3.26Å; D98-N100 PolarHBondContact O-N 3.07Å; D98-N100 VanDerWaalsContact O-N 3.08Å |
| 101 | N | 33.8 | Very low | 39.8 | Very low | 125 Ų | 125 | 158.3 Ų | 158.3 | 67% | 0.668 | 77% | 0.772 | S | S | * | * | | | trans | 87.9 | 99.2 | 150.5 | -70.7 | -6.6 | 0 | 0 | 0 | 117.3 | | |
| 102 | F | 38.7 | Very low | 39.6 | Very low | 165 Ų | 165 | 160.9 Ų | 160.9 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | | | trans | 71.5 | 111.1 | 132 | -60 | -63.4 | 0 | 0 | 0 | 118.2 | | |
| 103 | H | 37.2 | Very low | 39.2 | Very low | 159 Ų | 159 | 157.4 Ų | 157.4 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | | | trans | 74.7 | 145 | 143 | -70.1 | 75.8 | 0 | 0 | 0 | 118.1 | | |
| 104 | N | 36.3 | Very low | 38.4 | Very low | 148 Ų | 148 | 153.1 Ų | 153.1 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | | | trans | 89.7 | 64.2 | 166.3 | -47.9 | -37.8 | 0 | 0 | 0 | 116.2 | | |
| 105 | R | 37.3 | Very low | 38.2 | Very low | 197 Ų | 197 | 148.7 Ų | 148.7 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -150.5 | 93.5 | 141.6 | -107.2 | 171.7 | -148.4 | -167.3 | 6 | 109.1 | E107 | R105-E107 PolarHBondContact O-N 3.16Š|
| 106 | Y | 41 | Very low | 38.3 | Very low | 225 Ų | 225 | 143.2 Ų | 143.2 | 88% | 0.882 | 73% | 0.73 | S | S | * | * | | | trans | 22.9 | 77.4 | 155.2 | -54.7 | -81 | 0 | 0 | 0 | 113.7 | T108 | Y106-T108 PolarHBondContact O-N 3.26Š|
| 107 | E | 42.3 | Very low | 38.2 | Very low | 175 Ų | 175 | 141.3 Ų | 141.3 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | | | trans | -60.4 | 95 | 158.6 | -74.8 | 175.3 | 170.9 | 0 | 0 | 105.9 | R105 Q109 | R105-E107 PolarHBondContact O-N 3.16Å; E107-Q109 PolarHBondContact O-N 3.24Å |
| 108 | T | 38.4 | Very low | 38.5 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | | | trans | -53.6 | 102.3 | 147.7 | 46.5 | 0 | 0 | 0 | 0 | 104.3 | Y106 S110 | Y106-T108 PolarHBondContact O-N 3.26Å; T108-S110 PolarHBondContact O-N 3.26Å |
| 109 | Q | 40.4 | Very low | 38.5 | Very low | 163 Ų | 163 | 142 Ų | 142 | 76% | 0.762 | 73% | 0.731 | S | S | * | * | | | trans | -60 | 87.9 | 176.9 | -62.3 | -167.9 | 1.8 | 0 | 0 | 107.1 | E107 E111 | E107-Q109 PolarHBondContact O-N 3.24Å; Q109-E111 VanDerWaalsContact C-N 3.26Å; Q109-E111 PolarHBondContact O-N 3.38Å; Q109-E111 VanDerWaalsContact O-N 3.17Å |
| 110 | S | 42.5 | Very low | 38.2 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | | | trans | -73.7 | 99.9 | 156.4 | 38.5 | 0 | 0 | 0 | 0 | 103.2 | T108 Y112 | T108-S110 PolarHBondContact O-N 3.26Å; S110-Y112 PolarHBondContact O-N 3.11Å |
| 111 | E | 40.2 | Very low | 38.4 | Very low | 178 Ų | 178 | 144.7 Ų | 144.7 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -57.9 | 76.5 | 167.2 | -65.4 | 173.5 | 179 | 0 | 0 | 108.6 | Q109 | Q109-E111 VanDerWaalsContact C-N 3.26Å; Q109-E111 PolarHBondContact O-N 3.38Å; Q109-E111 VanDerWaalsContact O-N 3.17Å |
| 112 | Y | 34.3 | Very low | 38.7 | Very low | 182 Ų | 182 | 145.8 Ų | 145.8 | 71% | 0.714 | 74% | 0.74 | S | S | * | * | | | trans | -178.4 | 75.8 | 150.8 | -126.1 | -108.5 | 0 | 0 | 0 | 109.2 | S110 G114 | S110-Y112 PolarHBondContact O-N 3.11Å; Y112-G114 PolarHBondContact O-N 3.32Å |
| 113 | G | 30.8 | Very low | 38.7 | Very low | 83 Ų | 83 | 141.8 Ų | 141.8 | 86% | 0.856 | 74% | 0.738 | S | S | * | * | | | trans | -80.3 | 44.3 | 156.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | T115 | G113-T115 PolarHBondContact O-N 2.78Š|
| 114 | G | 32.5 | Very low | 38.8 | Very low | 38 Ų | 38 | 140 Ų | 140 | 39% | 0.392 | 74% | 0.74 | S | S | . | * | | | trans | -75.9 | 120.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y112 D116 | Y112-G114 PolarHBondContact O-N 3.32Å; G114-D116 WeakPolarHBondContact CA-OD1 3.46Å; G114-D116 PolarHBondContact O-N 2.94Å; G114-D116 VanDerWaalsContact O-OD1 3.05Å |
| 115 | T | 37.4 | Very low | 39.1 | Very low | 138 Ų | 138 | 138 Ų | 138 | 85% | 0.847 | 73% | 0.728 | S | S | * | * | | | trans | -79.6 | 26.1 | 171.9 | 35.8 | 0 | 0 | 0 | 0 | 111.3 | G113 N117 | G113-T115 PolarHBondContact O-N 2.78Å; T115-N117 PolarHBondContact O-N 3.16Å; T115-N117 VanDerWaalsContact O-N 3.17Å |
| 116 | D | 41.6 | Very low | 39 | Very low | 65 Ų | 65 | 134.2 Ų | 134.2 | 35% | 0.348 | 73% | 0.727 | S | S | . | * | | | trans | -75.8 | 102.6 | 172.8 | 45.6 | -39.8 | 0 | 0 | 0 | 108.8 | G114 N118 | G114-D116 WeakPolarHBondContact CA-OD1 3.46Å; G114-D116 PolarHBondContact O-N 2.94Å; G114-D116 VanDerWaalsContact O-OD1 3.05Å; D116-N118 PolarHBondContact O-N 2.84Å |
| 117 | N | 41.4 | Very low | 38.7 | Very low | 158 Ų | 158 | 126.6 Ų | 126.6 | 85% | 0.845 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | 23 | 170.8 | -72 | -40.8 | 0 | 0 | 0 | 114.9 | T115 | T115-N117 PolarHBondContact O-N 3.16Å; T115-N117 VanDerWaalsContact O-N 3.17Å |
| 118 | N | 44.7 | Very low | 38.4 | Very low | 138 Ų | 138 | 123.4 Ų | 123.4 | 74% | 0.738 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | -2.6 | -175.7 | -81.2 | 10.2 | 0 | 0 | 0 | 114.4 | D116 G120 | D116-N118 PolarHBondContact O-N 2.84Å; N118-G120 VanDerWaalsContact C-N 3.29Å |
| 119 | F | 40.1 | Very low | 38.2 | Very low | 162 Ų | 162 | 125.8 Ų | 125.8 | 71% | 0.711 | 69% | 0.693 | S | S | * | * | | | trans | -95.9 | 26.6 | 166.8 | -71.1 | -79.1 | 0 | 0 | 0 | 112.8 | W121 | F119-W121 PolarHBondContact O-N 3.08Š|
| 120 | G | 36.6 | Very low | 38.2 | Very low | 53 Ų | 53 | 121.5 Ų | 121.5 | 55% | 0.546 | 69% | 0.686 | S | S | . | * | S | Bend | trans | -61.4 | 130.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | N118 D122 | N118-G120 VanDerWaalsContact C-N 3.29Å; G120-D122 PolarHBondContact O-N 2.93Å; G120-D122 VanDerWaalsContact O-N 3.07Å |
| 121 | W | 38.3 | Very low | 37.7 | Very low | 258 Ų | 258 | 125.9 Ų | 125.9 | 98% | 0.977 | 69% | 0.686 | S | S | * | * | | | trans | -34.1 | 119.3 | 166.9 | -67.7 | 90.1 | 0 | 0 | 0 | 109.5 | F119 A123 | F119-W121 PolarHBondContact O-N 3.08Å; W121-A123 PolarHBondContact O-N 3.33Å |
| 122 | D | 40 | Very low | 37.4 | Very low | 149 Ų | 149 | 124.2 Ų | 124.2 | 80% | 0.797 | 68% | 0.678 | S | S | * | * | | | trans | -41.5 | 128.5 | -178.1 | -76.4 | -45.7 | 0 | 0 | 0 | 109.5 | G120 | G120-D122 PolarHBondContact O-N 2.93Å; G120-D122 VanDerWaalsContact O-N 3.07Å |
| 123 | A | 40.2 | Very low | 37.5 | Very low | 81 Ų | 81 | 121.9 Ų | 121.9 | 67% | 0.669 | 68% | 0.678 | S | S | * | * | | | trans | -52 | 137.3 | -179 | 0 | 0 | 0 | 0 | 0 | 109.2 | W121 I125 | W121-A123 PolarHBondContact O-N 3.33Å; A123-I125 PolarHBondContact O-N 3.08Å |
| 124 | P | 39.4 | Very low | 37.5 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 78% | 0.779 | 67% | 0.674 | S | S | * | * | | | trans | -53.4 | 110.8 | -176.5 | 18.7 | -30.6 | 0 | 0 | 0 | 109.9 | T126 | P124-T126 PolarHBondContact O-N 2.82Å; P124-T126 PolarHBondContact O-OG1 3.1Å |
| 125 | I | 42.6 | Very low | 37.7 | Very low | 107 Ų | 107 | 131 Ų | 131 | 55% | 0.549 | 69% | 0.692 | S | S | . | * | | | trans | -59.3 | 106.3 | 178.8 | -61.4 | 170 | 0 | 0 | 0 | 106.6 | A123 P127 W356 | A123-I125 PolarHBondContact O-N 3.08Å; I125-P127 VanDerWaalsContact O-CD 3.23Å; I125-P127 WeakPolarHBondContact O-CD 3.5Å; I125-W356 HydrophobicContact CB-CZ3 4.45Å; I125-W356 HydrophobicContact CD1-CE3 4.48Å; I125-W356 HydrophobicContact CD1-CZ3 4.26Å; I125-W356 HydrophobicContact CG2-CE3 4.25Å; I125-W356 HydrophobicContact CG2-CZ3 4.09Å |
| 126 | T | 33.7 | Very low | 37.6 | Very low | 118 Ų | 118 | 129.4 Ų | 129.4 | 72% | 0.724 | 68% | 0.682 | S | S | * | * | | | trans | -76.3 | 115.5 | 176.8 | -44.4 | 0 | 0 | 0 | 0 | 107.1 | P124 T128 | P124-T126 PolarHBondContact O-N 2.82Å; P124-T126 PolarHBondContact O-OG1 3.1Å; T126-T128 PolarHBondContact O-N 2.98Å |
| 127 | P | 36.4 | Very low | 37.3 | Very low | 64 Ų | 64 | 133.1 Ų | 133.1 | 42% | 0.416 | 70% | 0.702 | S | S | . | * | | | trans | -65.5 | 112 | 179.6 | 25.2 | -31.7 | 0 | 0 | 0 | 109.3 | I125 W129 | I125-P127 VanDerWaalsContact O-CD 3.23Å; I125-P127 WeakPolarHBondContact O-CD 3.5Å; P127-W129 PolarHBondContact O-N 3.05Å |
| 128 | T | 35.3 | Very low | 36.8 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 67% | 0.669 | 70% | 0.702 | S | S | * | * | | | trans | -78.5 | 115.5 | 169.2 | -2.2 | 0 | 0 | 0 | 0 | 109.3 | T126 A130 | T126-T128 PolarHBondContact O-N 2.98Å; T128-A130 PolarHBondContact O-N 2.88Å |
| 129 | W | 34.6 | Very low | 36.3 | Very low | 173 Ų | 173 | 130.2 Ų | 130.2 | 66% | 0.655 | 70% | 0.699 | S | S | * | * | | | trans | -79.2 | 107 | 174.5 | -59.5 | 92.1 | 0 | 0 | 0 | 109.6 | P127 T352 | P127-W129 PolarHBondContact O-N 3.05Å; W129-T352 HydrophobicContact CE3-CG2 4.15Å; W129-T352 HydrophobicContact CZ3-CG2 4.3Å |
| 130 | A | 39.9 | Very low | 35.6 | Very low | 73 Ų | 73 | 130.7 Ų | 130.7 | 60% | 0.603 | 70% | 0.704 | S | S | * | * | | | trans | -87.6 | 123.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | T128 E132 | T128-A130 PolarHBondContact O-N 2.88Å; A130-E132 PolarHBondContact O-N 2.85Å |
| 131 | R | 31.8 | Very low | 35.2 | Very low | 196 Ų | 196 | 134.3 Ų | 134.3 | 74% | 0.74 | 72% | 0.717 | S | S | * | * | | | trans | -81.6 | 97.2 | 174.5 | -167 | -175.9 | -151.1 | -161.8 | 5.2 | 108.7 | | |
| 132 | E | 34.6 | Very low | 34.7 | Very low | 143 Ų | 143 | 127.5 Ų | 127.5 | 67% | 0.668 | 70% | 0.704 | S | S | * | * | | | trans | -94.3 | 108.9 | 174.5 | -139.5 | -178.9 | -150 | 0 | 0 | 109.2 | A130 R134 | A130-E132 PolarHBondContact O-N 2.85Å; E132-R134 PolarHBondContact O-N 3.07Å |
| 133 | N | 36.6 | Very low | 34 | Very low | 134 Ų | 134 | 130.4 Ų | 130.4 | 72% | 0.717 | 71% | 0.71 | S | S | * | * | | | trans | -83.2 | 96 | 175.7 | -70.7 | -22.7 | 0 | 0 | 0 | 108.9 | | |
| 134 | R | 30.7 | Very low | 33.3 | Very low | 202 Ų | 202 | 130.7 Ų | 130.7 | 76% | 0.762 | 71% | 0.707 | S | S | * | * | | | trans | -87.2 | 115.7 | 163.3 | -79.6 | -173.8 | -179.9 | -155.4 | -2.7 | 109.1 | E132 T136 | E132-R134 PolarHBondContact O-N 3.07Å; R134-T136 PolarHBondContact O-N 3.13Å; R134-T136 VanDerWaalsContact O-N 3.17Å |
| 135 | S | 36.9 | Very low | 32.5 | Very low | 110 Ų | 110 | 137 Ų | 137 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | | | trans | -71.6 | 105.2 | 163.5 | 67 | 0 | 0 | 0 | 0 | 108 | N137 | S135-N137 PolarHBondContact O-N 2.98Š|
| 136 | T | 34.9 | Very low | 31.7 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 64% | 0.644 | 71% | 0.713 | S | S | * | * | | | trans | -77.8 | 105.5 | 167.7 | 48.8 | 0 | 0 | 0 | 0 | 107.7 | R134 T138 | R134-T136 PolarHBondContact O-N 3.13Å; R134-T136 VanDerWaalsContact O-N 3.17Å; T136-T138 PolarHBondContact O-N 3.26Å; T136-T138 VanDerWaalsContact O-N 3.12Å |
| 137 | N | 34.6 | Very low | 31.2 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | | | trans | -62.6 | 113.2 | 154.7 | -74.9 | -18.4 | 0 | 0 | 0 | 105.7 | S135 S139 | S135-N137 PolarHBondContact O-N 2.98Å; N137-S139 PolarHBondContact O-N 3.27Å |
| 138 | T | 32.1 | Very low | 30.6 | Very low | 138 Ų | 138 | 141.8 Ų | 141.8 | 85% | 0.847 | 74% | 0.737 | S | S | * | * | | | trans | -68.4 | 70.1 | 173.4 | 45.3 | 0 | 0 | 0 | 0 | 109.1 | T136 | T136-T138 PolarHBondContact O-N 3.26Å; T136-T138 VanDerWaalsContact O-N 3.12Å |
| 139 | S | 32.4 | Very low | 30 | Very low | 98 Ų | 98 | 142.6 Ų | 142.6 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | | | trans | -88.3 | 120.1 | 156.7 | 53.5 | 0 | 0 | 0 | 0 | 106.3 | N137 | N137-S139 PolarHBondContact O-N 3.27Š|
| 140 | E | 25.6 | Very low | 29.5 | Very low | 171 Ų | 171 | 142.6 Ų | 142.6 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | | | trans | -43.8 | 144.8 | 169.9 | -72.8 | -172.4 | 157.4 | 0 | 0 | 110.6 | V142 | E140-V142 VanDerWaalsContact C-N 3.3Å; E140-V142 PolarHBondContact O-N 3.17Å |
| 141 | P | 29.2 | Very low | 28.7 | Very low | 129 Ų | 129 | 144.5 Ų | 144.5 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | | | trans | -64.7 | 87.8 | -173 | 26.2 | -34.3 | 0 | 0 | 0 | 110.9 | K143 | P141-K143 PolarHBondContact O-N 3.25Š|
| 142 | V | 28.1 | Very low | 28.3 | Very low | 116 Ų | 116 | 142.4 Ų | 142.4 | 70% | 0.703 | 76% | 0.758 | S | S | * | * | | | trans | -65.2 | 119.6 | 163.3 | -179.5 | 0 | 0 | 0 | 0 | 105.8 | E140 S144 | E140-V142 VanDerWaalsContact C-N 3.3Å; E140-V142 PolarHBondContact O-N 3.17Å; V142-S144 PolarHBondContact O-N 3.12Å; V142-S144 PolarHBondContact O-OG 3.45Å |
| 143 | K | 24.3 | Very low | 27.7 | Very low | 209 Ų | 209 | 141 Ų | 141 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | | | trans | -59.9 | 74.5 | 170.6 | -75.7 | 177.9 | 176.8 | 176.3 | 0 | 109.6 | P141 R145 | P141-K143 PolarHBondContact O-N 3.25Å; K143-R145 PolarHBondContact O-N 3.03Å |
| 144 | S | 25.2 | Very low | 27.2 | Very low | 88 Ų | 88 | 141.4 Ų | 141.4 | 62% | 0.615 | 77% | 0.772 | S | S | * | * | | | trans | -85.9 | 96 | 176.3 | -58.9 | 0 | 0 | 0 | 0 | 106.4 | V142 S146 | V142-S144 PolarHBondContact O-N 3.12Å; V142-S144 PolarHBondContact O-OG 3.45Å; S144-S146 PolarHBondContact O-N 3.46Å |
| 145 | R | 22.3 | Very low | 27 | Very low | 251 Ų | 251 | 134.3 Ų | 134.3 | 95% | 0.947 | 76% | 0.762 | S | S | * | * | | | trans | -63.3 | 77.8 | 165.9 | -179.5 | -179.7 | 164.5 | -165.9 | -4.3 | 107.6 | K143 | K143-R145 PolarHBondContact O-N 3.03Š|
| 146 | S | 26.1 | Very low | 26.7 | Very low | 73 Ų | 73 | 134.8 Ų | 134.8 | 51% | 0.51 | 76% | 0.762 | S | S | . | * | | | trans | -119.2 | 99.8 | 179.3 | 172 | 0 | 0 | 0 | 0 | 107.8 | S144 K148 | S144-S146 PolarHBondContact O-N 3.46Å; S146-K148 VanDerWaalsContact C-N 3.25Å; S146-K148 PolarHBondContact O-N 3.33Å |
| 147 | T | 23.3 | Very low | 26.3 | Very low | 140 Ų | 140 | 134.6 Ų | 134.6 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | | | trans | -62.9 | 84.9 | 167.3 | -9.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 148 | K | 24.2 | Very low | 26 | Very low | 177 Ų | 177 | 136.5 Ų | 136.5 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | | | trans | -96.4 | 103.5 | 171 | -85.8 | -175.5 | 178.7 | -170.6 | 0 | 108.6 | S146 F150 | S146-K148 VanDerWaalsContact C-N 3.25Å; S146-K148 PolarHBondContact O-N 3.33Å; K148-F150 PolarHBondContact O-N 3.28Å |
| 149 | T | 22.8 | Very low | 25.7 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | | | trans | -60 | 124.3 | 168 | -35.5 | 0 | 0 | 0 | 0 | 108.4 | S151 | T149-S151 PolarHBondContact O-N 3.03Š|
| 150 | F | 24.4 | Very low | 25.3 | Very low | 174 Ų | 174 | 139.2 Ų | 139.2 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | | | trans | -83.7 | 110.8 | 175.2 | 31.4 | -89.2 | 0 | 0 | 0 | 108.5 | K148 L152 | K148-F150 PolarHBondContact O-N 3.28Å; F150-L152 HydrophobicContact CD2-CD1 4.45Å; F150-L152 PolarHBondContact O-N 3.43Å |
| 151 | S | 22 | Very low | 25.4 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | | | trans | -82.4 | 111.1 | 170.6 | -48.1 | 0 | 0 | 0 | 0 | 108.4 | T149 S153 | T149-S151 PolarHBondContact O-N 3.03Å; S151-S153 PolarHBondContact O-N 3.13Å |
| 152 | L | 23.3 | Very low | 25 | Very low | 151 Ų | 151 | 142 Ų | 142 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | trans | -75.3 | 96.1 | 167.5 | -75.8 | 106.5 | 0 | 0 | 0 | 108.2 | F150 T154 | F150-L152 HydrophobicContact CD2-CD1 4.45Å; F150-L152 PolarHBondContact O-N 3.43Å; L152-T154 PolarHBondContact O-N 3.31Å |
| 153 | S | 23.7 | Very low | 24.7 | Very low | 115 Ų | 115 | 143.3 Ų | 143.3 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | trans | -80 | 102.2 | 166.4 | 52.7 | 0 | 0 | 0 | 0 | 109 | S151 G155 | S151-S153 PolarHBondContact O-N 3.13Å; S153-G155 PolarHBondContact O-N 3.36Å |
| 154 | T | 25.2 | Very low | 24.6 | Very low | 141 Ų | 141 | 141 Ų | 141 | 87% | 0.865 | 76% | 0.761 | S | S | * | * | | | trans | -74.6 | 73 | 165.4 | 49.8 | 0 | 0 | 0 | 0 | 108.6 | L152 | L152-T154 PolarHBondContact O-N 3.31Š|
| 155 | G | 26.2 | Very low | 24.5 | Very low | 54 Ų | 54 | 144.6 Ų | 144.6 | 56% | 0.557 | 77% | 0.766 | S | S | * | * | | | trans | -107.9 | 120.1 | 172 | 0 | 0 | 0 | 0 | 0 | 109.4 | S153 S157 | S153-G155 PolarHBondContact O-N 3.36Å; G155-S157 VanDerWaalsContact C-N 3.33Å; G155-S157 PolarHBondContact O-N 3.04Å |
| 156 | P | 30.6 | Very low | 24.6 | Very low | 120 Ų | 120 | 137.5 Ų | 137.5 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | | | trans | -71.2 | 90 | 175.4 | 29.5 | -31.2 | 0 | 0 | 0 | 108.4 | E158 | P156-E158 VanDerWaalsContact C-N 3.26Å; P156-E158 PolarHBondContact O-N 3.14Å; P156-E158 VanDerWaalsContact O-N 3.07Å |
| 157 | S | 27.4 | Very low | 24.5 | Very low | 101 Ų | 101 | 142.2 Ų | 142.2 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | trans | -79.9 | 86.4 | 164.3 | 78.6 | 0 | 0 | 0 | 0 | 107.7 | G155 K159 | G155-S157 VanDerWaalsContact C-N 3.33Å; G155-S157 PolarHBondContact O-N 3.04Å; S157-K159 PolarHBondContact O-N 2.7Å |
| 158 | E | 27.6 | Very low | 24.6 | Very low | 181 Ų | 181 | 145.2 Ų | 145.2 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | | | trans | -61 | 83.2 | 162.8 | -68.5 | 179 | 167.6 | 0 | 0 | 108.7 | P156 S160 | P156-E158 VanDerWaalsContact C-N 3.26Å; P156-E158 PolarHBondContact O-N 3.14Å; P156-E158 VanDerWaalsContact O-N 3.07Å; E158-S160 PolarHBondContact O-N 3.48Å |
| 159 | K | 26.4 | Very low | 24.7 | Very low | 183 Ų | 183 | 143 Ų | 143 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | | | trans | -83.7 | 97.3 | 159.3 | -77.8 | -173.4 | 177.8 | -178.4 | 0 | 106.6 | S157 F161 | S157-K159 PolarHBondContact O-N 2.7Å; K159-F161 PolarHBondContact O-N 3.07Å |
| 160 | S | 23.2 | Very low | 24.8 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | | | trans | -49.3 | 103.2 | 166.5 | 46.5 | 0 | 0 | 0 | 0 | 109.4 | E158 Q162 | E158-S160 PolarHBondContact O-N 3.48Å; S160-Q162 PolarHBondContact O-N 3.46Å; S160-Q162 VanDerWaalsContact O-N 3.11Å |
| 161 | F | 27.1 | Very low | 24.9 | Very low | 199 Ų | 199 | 136 Ų | 136 | 87% | 0.873 | 76% | 0.755 | S | S | * | * | | | trans | -79 | 91.9 | 175.4 | -147 | -94 | 0 | 0 | 0 | 107 | K159 Q163 | K159-F161 PolarHBondContact O-N 3.07Å; F161-Q163 PolarHBondContact O-N 2.9Å |
| 162 | Q | 21.4 | Very low | 25.5 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | | | trans | -70.5 | 100.7 | 171.7 | -83.5 | -158.9 | -16.2 | 0 | 0 | 108.9 | S160 Q164 | S160-Q162 PolarHBondContact O-N 3.46Å; S160-Q162 VanDerWaalsContact O-N 3.11Å; Q162-Q164 VanDerWaalsContact C-N 3.34Å; Q162-Q164 PolarHBondContact O-N 2.96Å |
| 163 | Q | 23 | Very low | 26.1 | Very low | 142 Ų | 142 | 135.2 Ų | 135.2 | 66% | 0.664 | 76% | 0.756 | S | S | * | * | | | trans | -73.7 | 88.4 | 170.4 | -165.5 | 174.3 | 10.5 | 0 | 0 | 108.2 | F161 F165 | F161-Q163 PolarHBondContact O-N 2.9Å; Q163-F165 HydrophobicContact CB-CE2 4.39Å; Q163-F165 HydrophobicContact CG-CD2 4.43Å; Q163-F165 HydrophobicContact CG-CE2 3.92Å; Q163-F165 HydrophobicContact CG-CZ 4.08Å; Q163-F165 PolarHBondContact O-N 2.84Å; Q163-F165 VanDerWaalsContact O-N 3.16Å |
| 164 | Q | 21.6 | Very low | 26.4 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | | | trans | -72.6 | 104.9 | 171.7 | -72.7 | -173.7 | -28.1 | 0 | 0 | 108.8 | Q162 T166 | Q162-Q164 VanDerWaalsContact C-N 3.34Å; Q162-Q164 PolarHBondContact O-N 2.96Å; Q164-T166 PolarHBondContact O-N 3.28Å; Q164-T166 VanDerWaalsContact O-N 3.17Å |
| 165 | F | 23.7 | Very low | 26.9 | Very low | 165 Ų | 165 | 133.5 Ų | 133.5 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | | | trans | -73.4 | 97.9 | 166.6 | -69.7 | -88.2 | 0 | 0 | 0 | 108.2 | Q163 Q167 | Q163-F165 HydrophobicContact CB-CE2 4.39Å; Q163-F165 HydrophobicContact CG-CD2 4.43Å; Q163-F165 HydrophobicContact CG-CE2 3.92Å; Q163-F165 HydrophobicContact CG-CZ 4.08Å; Q163-F165 PolarHBondContact O-N 2.84Å; Q163-F165 VanDerWaalsContact O-N 3.16Å; F165-Q167 VanDerWaalsContact C-N 3.27Å; F165-Q167 PolarHBondContact O-N 2.78Å |
| 166 | T | 24.6 | Very low | 27 | Very low | 101 Ų | 101 | 142.5 Ų | 142.5 | 62% | 0.62 | 77% | 0.765 | S | S | * | * | | | trans | -74.5 | 89 | 167.3 | -33 | 0 | 0 | 0 | 0 | 107.8 | Q164 Y168 | Q164-T166 PolarHBondContact O-N 3.28Å; Q164-T166 VanDerWaalsContact O-N 3.17Å; T166-Y168 HydrophobicContact CG2-CE2 4.31Å; T166-Y168 WeakPolarHBondContact O-CD2 3.46Å; T166-Y168 PolarHBondContact O-N 3.25Å; T166-Y168 VanDerWaalsContact O-N 3.1Å |
| 167 | Q | 22.3 | Very low | 27 | Very low | 172 Ų | 172 | 146.4 Ų | 146.4 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | trans | -73.5 | 98.6 | 172.3 | -161 | 175 | 9.3 | 0 | 0 | 107.4 | F165 V169 | F165-Q167 VanDerWaalsContact C-N 3.27Å; F165-Q167 PolarHBondContact O-N 2.78Å; Q167-V169 PolarHBondContact O-N 3.19Å |
| 168 | Y | 27 | Very low | 27 | Very low | 204 Ų | 204 | 149.3 Ų | 149.3 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | | | trans | -66.2 | 99 | 171.4 | -70 | -86.6 | 0 | 0 | 0 | 108.2 | T166 A170 | T166-Y168 HydrophobicContact CG2-CE2 4.31Å; T166-Y168 WeakPolarHBondContact O-CD2 3.46Å; T166-Y168 PolarHBondContact O-N 3.25Å; T166-Y168 VanDerWaalsContact O-N 3.1Å; Y168-A170 PolarHBondContact O-N 2.89Å |
| 169 | V | 25 | Very low | 27.3 | Very low | 131 Ų | 131 | 148.2 Ų | 148.2 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 120.1 | 165.9 | 179.6 | 0 | 0 | 0 | 0 | 106.3 | Q167 G171 | Q167-V169 PolarHBondContact O-N 3.19Å; V169-G171 PolarHBondContact O-N 2.88Å |
| 170 | A | 25.7 | Very low | 27.4 | Very low | 92 Ų | 92 | 146.7 Ų | 146.7 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 117.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y168 | Y168-A170 PolarHBondContact O-N 2.89Š|
| 171 | G | 26.4 | Very low | 27.8 | Very low | 60 Ų | 60 | 147.2 Ų | 147.2 | 62% | 0.619 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 148.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | V169 | V169-G171 PolarHBondContact O-N 2.88Š|
| 172 | P | 34.5 | Very low | 28.2 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 146.6 | -177 | 22.3 | -31.9 | 0 | 0 | 0 | 111.6 | S174 | P172-S174 PolarHBondContact O-N 3.3Š|
| 173 | P | 34.7 | Very low | 28.7 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 127.9 | -175.9 | 22.1 | -31.5 | 0 | 0 | 0 | 110.8 | | |
| 174 | S | 30.3 | Very low | 29.1 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 140.4 | 178.4 | -51.3 | 0 | 0 | 0 | 0 | 111.1 | P172 R176 | P172-S174 PolarHBondContact O-N 3.3Å; S174-R176 PolarHBondContact O-N 3.39Å |
| 175 | P | 35.5 | Very low | 29.4 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 128.4 | -178.7 | -23.4 | 32 | 0 | 0 | 0 | 111.3 | Y177 | P175-Y177 PolarHBondContact O-N 3.36Š|
| 176 | R | 30 | Very low | 29.6 | Very low | 243 Ų | 243 | 134.8 Ų | 134.8 | 92% | 0.917 | 78% | 0.775 | S | S | * | * | | | trans | -61.8 | 100.5 | 173.4 | -68.8 | -169.3 | 179.6 | -176 | 2.5 | 108.8 | S174 N178 | S174-R176 PolarHBondContact O-N 3.39Å; R176-N178 VanDerWaalsContact C-N 3.34Å; R176-N178 PolarHBondContact O-N 2.75Å |
| 177 | Y | 30.1 | Very low | 29.8 | Very low | 203 Ų | 203 | 139 Ų | 139 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | | | trans | -69.2 | 100.1 | 164.6 | -95.4 | -89.9 | 0 | 0 | 0 | 108.4 | P175 Q179 | P175-Y177 PolarHBondContact O-N 3.36Å; Y177-Q179 PolarHBondContact O-N 2.77Å |
| 178 | N | 27.9 | Very low | 30 | Very low | 161 Ų | 161 | 139.5 Ų | 139.5 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | | | trans | -79.4 | 84.4 | 173.6 | -140.4 | 7.6 | 0 | 0 | 0 | 106.8 | R176 | R176-N178 VanDerWaalsContact C-N 3.34Å; R176-N178 PolarHBondContact O-N 2.75Å |
| 179 | Q | 32.2 | Very low | 29.9 | Very low | 158 Ų | 158 | 137.5 Ų | 137.5 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | | | trans | -137.2 | 107.3 | 173.4 | -68.8 | -166.9 | 15.8 | 0 | 0 | 111.1 | Y177 | Y177-Q179 PolarHBondContact O-N 2.77Š|
| 180 | N | 28.3 | Very low | 29.9 | Very low | 151 Ų | 151 | 138.2 Ų | 138.2 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | | | trans | 4.9 | 134 | 162.3 | -64.4 | -23 | 0 | 0 | 0 | 119.9 | | |
| 181 | P | 32.8 | Very low | 30 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 129.7 | 179.2 | 28 | -33 | 0 | 0 | 0 | 111.7 | | |
| 182 | P | 35.6 | Very low | 30 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 150 | 165.3 | 26.7 | -30.2 | 0 | 0 | 0 | 111.1 | | |
| 183 | A | 31.3 | Very low | 29.6 | Very low | 96 Ų | 96 | 144.7 Ų | 144.7 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 148.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | S185 | A183-S185 PolarHBondContact O-N 2.79Š|
| 184 | A | 31.3 | Very low | 29.3 | Very low | 99 Ų | 99 | 147.7 Ų | 147.7 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -49.9 | 97.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 185 | S | 28.9 | Very low | 29.4 | Very low | 90 Ų | 90 | 147.9 Ų | 147.9 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | | | trans | -90.4 | 111.6 | 164.2 | -167.3 | 0 | 0 | 0 | 0 | 108.2 | A183 Y187 | A183-S185 PolarHBondContact O-N 2.79Å; S185-Y187 VanDerWaalsContact C-N 3.29Å; S185-Y187 PolarHBondContact O-N 2.77Å; S185-Y187 VanDerWaalsContact OG-CD2 3.25Å; S185-Y187 WeakPolarHBondContact OG-CD2 3.42Å; S185-Y187 WeakPolarHBondContact OG-CE2 3.26Å |
| 186 | N | 28.2 | Very low | 29.1 | Very low | 154 Ų | 154 | 149 Ų | 149 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | | | trans | -60.4 | 83.8 | 174.8 | -72.3 | -45.5 | 0 | 0 | 0 | 110.8 | | |
| 187 | Y | 27.7 | Very low | 29.2 | Very low | 189 Ų | 189 | 144 Ų | 144 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | | | trans | -131.5 | 106.1 | 166.7 | -77.1 | -81.8 | 0 | 0 | 0 | 109.9 | S185 | S185-Y187 VanDerWaalsContact C-N 3.29Å; S185-Y187 PolarHBondContact O-N 2.77Å; S185-Y187 VanDerWaalsContact OG-CD2 3.25Å; S185-Y187 WeakPolarHBondContact OG-CD2 3.42Å; S185-Y187 WeakPolarHBondContact OG-CE2 3.26Å |
| 188 | F | 26.9 | Very low | 29.2 | Very low | 184 Ų | 184 | 145.8 Ų | 145.8 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | | | trans | 39.1 | 103.6 | 157.3 | -70.9 | -89.9 | 0 | 0 | 0 | 116.8 | N190 | F188-N190 PolarHBondContact O-N 2.92Š|
| 189 | N | 23.8 | Very low | 29.5 | Very low | 161 Ų | 161 | 144 Ų | 144 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | | | trans | -55 | 75.6 | 162.9 | -79.1 | -42.3 | 0 | 0 | 0 | 111.5 | V191 | N189-V191 VanDerWaalsContact C-N 3.26Å; N189-V191 PolarHBondContact O-N 3.36Å; N189-V191 VanDerWaalsContact O-N 3.12Å |
| 190 | N | 26.2 | Very low | 29.3 | Very low | 146 Ų | 146 | 143.8 Ų | 143.8 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | | | trans | -76.3 | 95 | 152.4 | -78.6 | -19.9 | 0 | 0 | 0 | 105.5 | F188 Q192 | F188-N190 PolarHBondContact O-N 2.92Å; N190-Q192 PolarHBondContact O-N 2.91Å |
| 191 | V | 27.5 | Very low | 29.1 | Very low | 127 Ų | 127 | 145.1 Ų | 145.1 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | | | trans | -53.3 | 90 | 166.2 | 179.4 | 0 | 0 | 0 | 0 | 106.7 | N189 P193 | N189-V191 VanDerWaalsContact C-N 3.26Å; N189-V191 PolarHBondContact O-N 3.36Å; N189-V191 VanDerWaalsContact O-N 3.12Å; V191-P193 VanDerWaalsContact O-CD 3.24Å; V191-P193 WeakPolarHBondContact O-CD 3.37Å |
| 192 | Q | 26.5 | Very low | 28.8 | Very low | 173 Ų | 173 | 143.3 Ų | 143.3 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | | | trans | -66.4 | 116.5 | 166.2 | -91.4 | -172.1 | -31.9 | 0 | 0 | 105.5 | N190 K194 | N190-Q192 PolarHBondContact O-N 2.91Å; Q192-K194 PolarHBondContact O-N 2.96Å |
| 193 | P | 26.4 | Very low | 28.3 | Very low | 110 Ų | 110 | 146.4 Ų | 146.4 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | | | trans | -58.4 | 121.3 | 173.9 | 22.8 | -29.6 | 0 | 0 | 0 | 107 | V191 S195 | V191-P193 VanDerWaalsContact O-CD 3.24Å; V191-P193 WeakPolarHBondContact O-CD 3.37Å; P193-S195 PolarHBondContact O-N 3.29Å |
| 194 | K | 27 | Very low | 27.9 | Very low | 188 Ų | 188 | 151.9 Ų | 151.9 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | | | trans | -56.8 | 89.6 | 167.9 | -73.4 | 178.5 | 175.9 | 175.4 | 0 | 107.2 | Q192 N196 | Q192-K194 PolarHBondContact O-N 2.96Å; K194-N196 PolarHBondContact O-N 2.99Å |
| 195 | S | 32.9 | Very low | 27.6 | Very low | 112 Ų | 112 | 152.1 Ų | 152.1 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | | | trans | -72.6 | 79.8 | 164.4 | 48.7 | 0 | 0 | 0 | 0 | 107.1 | P193 N197 | P193-S195 PolarHBondContact O-N 3.29Å; S195-N197 PolarHBondContact O-N 3.13Å |
| 196 | N | 29.2 | Very low | 27.3 | Very low | 136 Ų | 136 | 152.3 Ų | 152.3 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | trans | -63.5 | 82.7 | 159 | -78.2 | -20.4 | 0 | 0 | 0 | 107.2 | K194 | K194-N196 PolarHBondContact O-N 2.99Š|
| 197 | N | 32 | Very low | 27.2 | Very low | 137 Ų | 137 | 150.2 Ų | 150.2 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | | | trans | -161 | 93 | 152.4 | -93.3 | -31.4 | 0 | 0 | 0 | 107.6 | S195 Q199 | S195-N197 PolarHBondContact O-N 3.13Å; N197-Q199 PolarHBondContact O-N 3.28Å |
| 198 | R | 30.4 | Very low | 27 | Very low | 242 Ų | 242 | 148 Ų | 148 | 91% | 0.913 | 76% | 0.762 | S | S | * | * | | | trans | -65 | 67.1 | 162.1 | -66.8 | -178.8 | 175 | -174.6 | -1.2 | 108.9 | | |
| 199 | Q | 33.8 | Very low | 26.8 | Very low | 122 Ų | 122 | 147.4 Ų | 147.4 | 57% | 0.57 | 76% | 0.761 | S | S | * | * | | | trans | -95.1 | 92.9 | 158.8 | -76.1 | -171.8 | -1.3 | 0 | 0 | 105.8 | N197 Y201 | N197-Q199 PolarHBondContact O-N 3.28Å; Q199-Y201 HydrophobicContact CB-CD2 4.12Å; Q199-Y201 HydrophobicContact CB-CE2 3.7Å; Q199-Y201 WeakPolarHBondContact O-CD2 3.37Å; Q199-Y201 PolarHBondContact O-N 2.7Å; Q199-Y201 PolarHBondContact OE1-OH 3.17Å |
| 200 | N | 28.3 | Very low | 26.9 | Very low | 154 Ų | 154 | 145.4 Ų | 145.4 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | | | trans | -60.6 | 84.6 | 168.7 | -71.1 | -31 | 0 | 0 | 0 | 107.7 | P202 | N200-P202 WeakPolarHBondContact O-CD 3.13Š|
| 201 | Y | 24.6 | Very low | 26.8 | Very low | 180 Ų | 180 | 146.9 Ų | 146.9 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | | | trans | -69.7 | 123.4 | 163.1 | -74.4 | -83.9 | 0 | 0 | 0 | 106.6 | Q199 Q203 | Q199-Y201 HydrophobicContact CB-CD2 4.12Å; Q199-Y201 HydrophobicContact CB-CE2 3.7Å; Q199-Y201 WeakPolarHBondContact O-CD2 3.37Å; Q199-Y201 PolarHBondContact O-N 2.7Å; Q199-Y201 PolarHBondContact OE1-OH 3.17Å; Y201-Q203 PolarHBondContact O-N 3.07Å |
| 202 | P | 26.8 | Very low | 26.7 | Very low | 83 Ų | 83 | 148.1 Ų | 148.1 | 54% | 0.539 | 75% | 0.754 | S | S | . | * | | | trans | -59 | 110.8 | 175.9 | 20.9 | -29.3 | 0 | 0 | 0 | 108.6 | N200 Y204 | N200-P202 WeakPolarHBondContact O-CD 3.13Å; P202-Y204 HydrophobicContact CB-CE1 4.39Å; P202-Y204 HydrophobicContact CB-CE2 4.09Å; P202-Y204 HydrophobicContact CG-CE2 3.84Å; P202-Y204 VanDerWaalsContact O-CD2 3.29Å; P202-Y204 WeakPolarHBondContact O-CD2 3.02Å; P202-Y204 PolarHBondContact O-N 3.08Å; P202-Y204 VanDerWaalsContact O-N 3.1Å |
| 203 | Q | 24 | Very low | 26.8 | Very low | 191 Ų | 191 | 145.7 Ų | 145.7 | 89% | 0.893 | 76% | 0.756 | S | S | * | * | | | trans | -76 | 95.8 | 173.1 | -136.3 | -178.3 | -16.1 | 0 | 0 | 106.5 | Y201 S205 | Y201-Q203 PolarHBondContact O-N 3.07Å; Q203-S205 PolarHBondContact O-N 3.4Å |
| 204 | Y | 23.7 | Very low | 26.8 | Very low | 211 Ų | 211 | 147.4 Ų | 147.4 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | | | trans | -71.1 | 95.4 | 175.5 | -60.9 | -80.2 | 0 | 0 | 0 | 109 | P202 | P202-Y204 HydrophobicContact CB-CE1 4.39Å; P202-Y204 HydrophobicContact CB-CE2 4.09Å; P202-Y204 HydrophobicContact CG-CE2 3.84Å; P202-Y204 VanDerWaalsContact O-CD2 3.29Å; P202-Y204 WeakPolarHBondContact O-CD2 3.02Å; P202-Y204 PolarHBondContact O-N 3.08Å; P202-Y204 VanDerWaalsContact O-N 3.1Å |
| 205 | S | 24.7 | Very low | 27.2 | Very low | 104 Ų | 104 | 144 Ų | 144 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | trans | -88.3 | 109.4 | 164.7 | 60.8 | 0 | 0 | 0 | 0 | 108.8 | Q203 T207 | Q203-S205 PolarHBondContact O-N 3.4Å; S205-T207 PolarHBondContact O-N 3.26Å |
| 206 | A | 23.6 | Very low | 26.9 | Very low | 94 Ų | 94 | 145.6 Ų | 145.6 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | | | trans | -86.4 | 101.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109 | I208 | A206-I208 PolarHBondContact O-N 2.62Š|
| 207 | T | 24.9 | Very low | 27 | Very low | 111 Ų | 111 | 142 Ų | 142 | 68% | 0.681 | 75% | 0.753 | S | S | * | * | | | trans | -80.3 | 104.2 | 169.1 | -43.2 | 0 | 0 | 0 | 0 | 107.9 | S205 H209 | S205-T207 PolarHBondContact O-N 3.26Å; T207-H209 PolarHBondContact O-N 3.17Å |
| 208 | I | 24 | Very low | 26.8 | Very low | 143 Ų | 143 | 142.7 Ų | 142.7 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | | | trans | -78.9 | 100 | 176.1 | -56.1 | 173.7 | 0 | 0 | 0 | 107.4 | A206 V210 | A206-I208 PolarHBondContact O-N 2.62Å; I208-V210 HydrophobicContact CG2-CG2 4.37Å; I208-V210 PolarHBondContact O-N 2.78Å; I208-V210 VanDerWaalsContact O-N 3.12Å |
| 209 | H | 22.6 | Very low | 26.8 | Very low | 171 Ų | 171 | 139.3 Ų | 139.3 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | | | trans | -70.4 | 103.4 | 164.8 | -83.8 | -93.4 | 0 | 0 | 0 | 108.2 | T207 Q211 | T207-H209 PolarHBondContact O-N 3.17Å; H209-Q211 PolarHBondContact O-N 3.03Å |
| 210 | V | 26.2 | Very low | 26.4 | Very low | 119 Ų | 119 | 139.6 Ų | 139.6 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | | | trans | -71.6 | 106.7 | 165.4 | -176.2 | 0 | 0 | 0 | 0 | 105.6 | I208 E212 | I208-V210 HydrophobicContact CG2-CG2 4.37Å; I208-V210 PolarHBondContact O-N 2.78Å; I208-V210 VanDerWaalsContact O-N 3.12Å; V210-E212 PolarHBondContact O-N 3.01Å |
| 211 | Q | 24.4 | Very low | 26.5 | Very low | 177 Ų | 177 | 138 Ų | 138 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | | | trans | -60.6 | 108.2 | 169.9 | -118 | 177.5 | -12.6 | 0 | 0 | 106.9 | H209 S213 | H209-Q211 PolarHBondContact O-N 3.03Å; Q211-S213 PolarHBondContact O-N 3.17Å |
| 212 | E | 25.1 | Very low | 26.6 | Very low | 152 Ų | 152 | 132.7 Ų | 132.7 | 71% | 0.71 | 77% | 0.766 | S | S | * | * | | | trans | -61 | 110.7 | 166 | -81.7 | -178 | 167.5 | 0 | 0 | 107 | V210 H214 | V210-E212 PolarHBondContact O-N 3.01Å; E212-H214 PolarHBondContact O-N 3.49Å; E212-H214 IonicContact OE2-CE1 3.93Å |
| 213 | S | 29.2 | Very low | 26.6 | Very low | 122 Ų | 122 | 138 Ų | 138 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | | | trans | -65.9 | 85.8 | 172.6 | -52.2 | 0 | 0 | 0 | 0 | 108.4 | Q211 S215 | Q211-S213 PolarHBondContact O-N 3.17Å; S213-S215 PolarHBondContact O-N 3.49Å |
| 214 | H | 25.9 | Very low | 26.9 | Very low | 147 Ų | 147 | 135.3 Ų | 135.3 | 68% | 0.681 | 77% | 0.772 | S | S | * | * | | | trans | -62.5 | 120.2 | 161.8 | -62.6 | -47.3 | 0 | 0 | 0 | 107.1 | E212 T216 | E212-H214 PolarHBondContact O-N 3.49Å; E212-H214 IonicContact OE2-CE1 3.93Å; H214-T216 PolarHBondContact O-N 2.91Å |
| 215 | S | 34.3 | Very low | 27.1 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | | | trans | -69.5 | 82.1 | 170.7 | 63.5 | 0 | 0 | 0 | 0 | 108.7 | S213 G217 | S213-S215 PolarHBondContact O-N 3.49Å; S215-G217 PolarHBondContact O-N 3.36Å |
| 216 | T | 28.2 | Very low | 27.2 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | | | trans | -73.2 | 75.4 | 160.7 | 25.4 | 0 | 0 | 0 | 0 | 107.8 | H214 | H214-T216 PolarHBondContact O-N 2.91Š|
| 217 | G | 30.6 | Very low | 27.5 | Very low | 59 Ų | 59 | 135 Ų | 135 | 61% | 0.608 | 77% | 0.765 | S | S | * | * | | | trans | -136.7 | 102.5 | 178 | 0 | 0 | 0 | 0 | 0 | 108.3 | S215 | S215-G217 PolarHBondContact O-N 3.36Š|
| 218 | N | 28.3 | Very low | 27.7 | Very low | 152 Ų | 152 | 136.1 Ų | 136.1 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | | | trans | -31.5 | 131.8 | -179.1 | -85.9 | -30.6 | 0 | 0 | 0 | 114.9 | T220 | N218-T220 PolarHBondContact O-N 2.66Š|
| 219 | I | 28.9 | Very low | 28 | Very low | 171 Ų | 171 | 135 Ų | 135 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | | | trans | -64 | 78.2 | 163.3 | -49.5 | 160.9 | 0 | 0 | 0 | 107.5 | S221 | I219-S221 PolarHBondContact O-N 2.71Š|
| 220 | T | 27.4 | Very low | 28.4 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | -81.9 | 95 | 159.7 | 35.4 | 0 | 0 | 0 | 0 | 107.3 | N218 G222 | N218-T220 PolarHBondContact O-N 2.66Å; T220-G222 PolarHBondContact O-N 3.22Å |
| 221 | S | 29.6 | Very low | 28.4 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | | | trans | -56.8 | 124.3 | 166.3 | -164 | 0 | 0 | 0 | 0 | 108.8 | I219 | I219-S221 PolarHBondContact O-N 2.71Š|
| 222 | G | 26.8 | Very low | 28.6 | Very low | 67 Ų | 67 | 136.3 Ų | 136.3 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | | | trans | 106.8 | 99.1 | 171 | 0 | 0 | 0 | 0 | 0 | 114.2 | T220 | T220-G222 PolarHBondContact O-N 3.22Š|
| 223 | R | 25.5 | Very low | 28.6 | Very low | 194 Ų | 194 | 138 Ų | 138 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | | | | -176.7 | 96.2 | 106.7 | -164.5 | 173.9 | -126.2 | -153.9 | 1 | 107.4 | Y225 | R223-Y225 HydrophobicContact CB-CD2 4.47Å; R223-Y225 HydrophobicContact CB-CE2 4.28Å; R223-Y225 HydrophobicContact CG-CD2 4.18Å; R223-Y225 HydrophobicContact CG-CE2 3.89Å; R223-Y225 PolarHBondContact NH1-OH 2.64Å; R223-Y225 PolarHBondContact O-N 3.18Å |
| 224 | V | 30.1 | Very low | 28.6 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | trans | -66.8 | 99.2 | 172.4 | -176.8 | 0 | 0 | 0 | 0 | 106.8 | N226 | V224-N226 PolarHBondContact O-N 3.49Å; V224-N226 VanDerWaalsContact O-N 3.13Å |
| 225 | Y | 28.7 | Very low | 28.8 | Very low | 180 Ų | 180 | 137.2 Ų | 137.2 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | | | trans | -72 | 104.9 | 167.5 | -85.2 | -88.1 | 0 | 0 | 0 | 107.5 | R223 G227 | R223-Y225 HydrophobicContact CB-CD2 4.47Å; R223-Y225 HydrophobicContact CB-CE2 4.28Å; R223-Y225 HydrophobicContact CG-CD2 4.18Å; R223-Y225 HydrophobicContact CG-CE2 3.89Å; R223-Y225 PolarHBondContact NH1-OH 2.64Å; R223-Y225 PolarHBondContact O-N 3.18Å; Y225-G227 PolarHBondContact O-N 3.09Å |
| 226 | N | 27.9 | Very low | 28.5 | Very low | 167 Ų | 167 | 140.2 Ų | 140.2 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | | | trans | -60.3 | 84.3 | 164.6 | -97.9 | -24 | 0 | 0 | 0 | 108.8 | V224 | V224-N226 PolarHBondContact O-N 3.49Å; V224-N226 VanDerWaalsContact O-N 3.13Å |
| 227 | G | 28.8 | Very low | 28.6 | Very low | 56 Ų | 56 | 141.6 Ų | 141.6 | 58% | 0.577 | 78% | 0.776 | S | S | * | * | | | trans | -124.2 | 95.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y225 | Y225-G227 PolarHBondContact O-N 3.09Š|
| 228 | T | 28.4 | Very low | 28.4 | Very low | 135 Ų | 135 | 148.8 Ų | 148.8 | 83% | 0.828 | 79% | 0.787 | S | S | * | * | | | trans | 52.2 | 96.9 | 157.2 | 55.3 | 0 | 0 | 0 | 0 | 117.2 | T230 | T228-T230 PolarHBondContact O-N 2.84Š|
| 229 | S | 30.4 | Very low | 28.4 | Very low | 119 Ų | 119 | 149 Ų | 149 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | -57.2 | 98.7 | 165.6 | -176.5 | 0 | 0 | 0 | 0 | 111 | R231 | S229-R231 PolarHBondContact O-N 2.89Š|
| 230 | T | 32.1 | Very low | 28.5 | Very low | 124 Ų | 124 | 146.3 Ų | 146.3 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | | | trans | -70 | 109.5 | 165.3 | 18.6 | 0 | 0 | 0 | 0 | 108.8 | T228 I232 | T228-T230 PolarHBondContact O-N 2.84Å; T230-I232 PolarHBondContact O-N 3.02Å |
| 231 | R | 26.3 | Very low | 28.5 | Very low | 210 Ų | 210 | 145.8 Ų | 145.8 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 117.9 | 169.7 | -74.2 | -178 | -160.8 | -155.9 | 2.5 | 109.2 | S229 | S229-R231 PolarHBondContact O-N 2.89Š|
| 232 | I | 28.6 | Very low | 28.5 | Very low | 160 Ų | 160 | 145.3 Ų | 145.3 | 82% | 0.821 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 116.6 | 173.8 | -57.8 | 173.7 | 0 | 0 | 0 | 107.4 | T230 | T230-I232 PolarHBondContact O-N 3.02Š|
| 233 | Y | 24.5 | Very low | 28.6 | Very low | 189 Ų | 189 | 147.1 Ų | 147.1 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 133.3 | 171.6 | -66.3 | -86.2 | 0 | 0 | 0 | 109.7 | V235 | Y233-V235 PolarHBondContact O-N 2.94Š|
| 234 | P | 30.3 | Very low | 29 | Very low | 119 Ų | 119 | 144 Ų | 144 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 129.1 | 176 | 25.3 | -31.1 | 0 | 0 | 0 | 110.8 | K236 | P234-K236 PolarHBondContact O-N 3.13Š|
| 235 | V | 28.8 | Very low | 29 | Very low | 133 Ų | 133 | 144.1 Ų | 144.1 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 121.5 | 174.9 | 175.9 | 0 | 0 | 0 | 0 | 108.9 | Y233 Q237 | Y233-V235 PolarHBondContact O-N 2.94Å; V235-Q237 PolarHBondContact O-N 2.72Å; V235-Q237 VanDerWaalsContact O-N 3.13Å |
| 236 | K | 29.2 | Very low | 29 | Very low | 178 Ų | 178 | 146.2 Ų | 146.2 | 77% | 0.774 | 80% | 0.796 | S | S | * | * | | | trans | -63.3 | 112.3 | 172.2 | -70.2 | -176.8 | 177.9 | -178.3 | 0 | 108.8 | P234 Y238 | P234-K236 PolarHBondContact O-N 3.13Å; K236-Y238 PolarHBondContact O-N 2.67Å |
| 237 | Q | 29 | Very low | 29.2 | Very low | 176 Ų | 176 | 143.7 Ų | 143.7 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | | | trans | -71.8 | 114.2 | 175.2 | -66.7 | 179.6 | -12.2 | 0 | 0 | 108.8 | V235 N239 | V235-Q237 PolarHBondContact O-N 2.72Å; V235-Q237 VanDerWaalsContact O-N 3.13Å; Q237-N239 PolarHBondContact O-N 2.77Å |
| 238 | Y | 27.3 | Very low | 29.4 | Very low | 210 Ų | 210 | 148.9 Ų | 148.9 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | | | trans | -76.5 | 112.2 | 169.8 | -67.7 | -84.4 | 0 | 0 | 0 | 108.5 | K236 S240 | K236-Y238 PolarHBondContact O-N 2.67Å; Y238-S240 PolarHBondContact O-N 3.17Å |
| 239 | N | 28.6 | Very low | 29.4 | Very low | 155 Ų | 155 | 148.1 Ų | 148.1 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | | | trans | -69.4 | 96.4 | 169.5 | -85.3 | -18.9 | 0 | 0 | 0 | 108.9 | Q237 S241 | Q237-N239 PolarHBondContact O-N 2.77Å; N239-S241 PolarHBondContact O-N 2.93Å; N239-S241 VanDerWaalsContact O-N 3.14Å |
| 240 | S | 29.2 | Very low | 29.6 | Very low | 115 Ų | 115 | 148.6 Ų | 148.6 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | -77.8 | 92.2 | 165.9 | -63.5 | 0 | 0 | 0 | 0 | 108.9 | Y238 S242 | Y238-S240 PolarHBondContact O-N 3.17Å; S240-S242 PolarHBondContact O-N 3.5Å; S240-S242 VanDerWaalsContact O-N 3.08Å |
| 241 | S | 28.2 | Very low | 29.4 | Very low | 117 Ų | 117 | 148.2 Ų | 148.2 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -65.9 | 99.6 | 168.7 | 51.5 | 0 | 0 | 0 | 0 | 109.7 | N239 | N239-S241 PolarHBondContact O-N 2.93Å; N239-S241 VanDerWaalsContact O-N 3.14Å |
| 242 | S | 30 | Very low | 29.6 | Very low | 113 Ų | 113 | 143 Ų | 143 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | -85.3 | 122.5 | 165.8 | 60 | 0 | 0 | 0 | 0 | 109.3 | S240 | S240-S242 PolarHBondContact O-N 3.5Å; S240-S242 VanDerWaalsContact O-N 3.08Å |
| 243 | S | 27.9 | Very low | 29.5 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | | | trans | -56.9 | 144 | 176.8 | -64.8 | 0 | 0 | 0 | 0 | 112.3 | V245 | S243-V245 PolarHBondContact O-N 2.62Å; S243-V245 VanDerWaalsContact O-N 3.16Å |
| 244 | P | 33.8 | Very low | 29.7 | Very low | 127 Ų | 127 | 143.3 Ų | 143.3 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | | | trans | -65.6 | 114.3 | -177 | 25.2 | -32.5 | 0 | 0 | 0 | 110.8 | R246 | P244-R246 PolarHBondContact O-N 2.83Š|
| 245 | V | 32 | Very low | 29.5 | Very low | 138 Ų | 138 | 142.4 Ų | 142.4 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 118.6 | 171.5 | 178.3 | 0 | 0 | 0 | 0 | 107.9 | S243 | S243-V245 PolarHBondContact O-N 2.62Å; S243-V245 VanDerWaalsContact O-N 3.16Å |
| 246 | R | 28.2 | Very low | 29.3 | Very low | 224 Ų | 224 | 141.1 Ų | 141.1 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 124.8 | 177.8 | -126.2 | 177.5 | -175.1 | -98.5 | 3 | 109.2 | P244 I248 | P244-R246 PolarHBondContact O-N 2.83Å; R246-I248 PolarHBondContact O-N 3.42Å |
| 247 | P | 32.2 | Very low | 29.3 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 119.3 | 177.7 | 24.4 | -30 | 0 | 0 | 0 | 109.5 | T249 | P247-T249 PolarHBondContact O-N 2.87Š|
| 248 | I | 31.7 | Very low | 29.2 | Very low | 164 Ų | 164 | 140.4 Ų | 140.4 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | | | trans | -72.5 | 108.4 | 168.6 | -60.3 | 172.4 | 0 | 0 | 0 | 106.2 | R246 P250 | R246-I248 PolarHBondContact O-N 3.42Å; I248-P250 VanDerWaalsContact O-CD 3.3Å; I248-P250 WeakPolarHBondContact O-CD 3.27Å |
| 249 | T | 30 | Very low | 29.1 | Very low | 119 Ų | 119 | 136 Ų | 136 | 73% | 0.73 | 79% | 0.79 | S | S | * | * | | | trans | -65.4 | 118 | 175.7 | 39 | 0 | 0 | 0 | 0 | 110.6 | P247 S251 | P247-T249 PolarHBondContact O-N 2.87Å; T249-S251 PolarHBondContact O-N 2.78Å |
| 250 | P | 34.1 | Very low | 29.1 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | trans | -78.3 | 107.8 | 165.4 | 18 | -7.1 | 0 | 0 | 0 | 109 | I248 S252 | I248-P250 VanDerWaalsContact O-CD 3.3Å; I248-P250 WeakPolarHBondContact O-CD 3.27Å; P250-S252 PolarHBondContact O-N 3.2Å |
| 251 | S | 28 | Very low | 29 | Very low | 117 Ų | 117 | 139.1 Ų | 139.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -81.4 | 99.6 | 168.6 | 60.6 | 0 | 0 | 0 | 0 | 109.6 | T249 | T249-S251 PolarHBondContact O-N 2.78Š|
| 252 | S | 29.7 | Very low | 28.9 | Very low | 101 Ų | 101 | 139.8 Ų | 139.8 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | trans | -161.3 | 120.9 | 141.2 | 51.5 | 0 | 0 | 0 | 0 | 109.3 | P250 Y254 | P250-S252 PolarHBondContact O-N 3.2Å; S252-Y254 PolarHBondContact O-N 3.19Å |
| 253 | V | 26.8 | Very low | 28.9 | Very low | 145 Ų | 145 | 140.8 Ų | 140.8 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | | | trans | -72.9 | 112.3 | 178.9 | 177.8 | 0 | 0 | 0 | 0 | 107.3 | | |
| 254 | Y | 27.8 | Very low | 29 | Very low | 209 Ų | 209 | 141.2 Ų | 141.2 | 82% | 0.82 | 79% | 0.787 | S | S | * | * | | | trans | -121.8 | 135.4 | 160.4 | -98 | -90 | 0 | 0 | 0 | 109.2 | S252 | S252-Y254 PolarHBondContact O-N 3.19Š|
| 255 | P | 27.7 | Very low | 29 | Very low | 100 Ų | 100 | 146.2 Ų | 146.2 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | | | trans | -73.1 | 135.9 | -163.1 | 26.5 | -32.7 | 0 | 0 | 0 | 113.5 | Y257 | P255-Y257 PolarHBondContact O-N 3.47Š|
| 256 | S | 24.3 | Very low | 29.1 | Very low | 107 Ų | 107 | 142.4 Ų | 142.4 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | trans | -35.3 | 116.6 | 162.5 | 151.5 | 0 | 0 | 0 | 0 | 114 | | |
| 257 | Y | 29.1 | Very low | 29.5 | Very low | 207 Ų | 207 | 137.8 Ų | 137.8 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | | | trans | -132.3 | 119.1 | 146.4 | -74 | -79.5 | 0 | 0 | 0 | 109.9 | P255 | P255-Y257 PolarHBondContact O-N 3.47Š|
| 258 | N | 26.8 | Very low | 29.7 | Very low | 131 Ų | 131 | 135 Ų | 135 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | | | trans | 73.2 | 92.6 | 155.2 | -64.4 | -31.8 | 0 | 0 | 0 | 119.7 | Y260 | N258-Y260 PolarHBondContact O-N 3.05Å; N258-Y260 VanDerWaalsContact O-N 3.14Å |
| 259 | S | 25.5 | Very low | 29.7 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -41.1 | 94.1 | 147.3 | -41.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 260 | Y | 28.8 | Very low | 30 | Very low | 201 Ų | 201 | 138.5 Ų | 138.5 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | | | trans | -138 | 119.8 | 155.1 | -82.2 | -80.2 | 0 | 0 | 0 | 110.4 | N258 | N258-Y260 PolarHBondContact O-N 3.05Å; N258-Y260 VanDerWaalsContact O-N 3.14Å |
| 261 | N | 26.7 | Very low | 30.2 | Very low | 136 Ų | 136 | 138.5 Ų | 138.5 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | trans | 66.2 | 86.6 | 162.3 | -60.9 | -25.4 | 0 | 0 | 0 | 117.2 | I263 | N261-I263 PolarHBondContact O-N 2.86Š|
| 262 | S | 26.2 | Very low | 30.6 | Very low | 130 Ų | 130 | 140.5 Ų | 140.5 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | | | trans | -57.5 | 78.5 | 155.6 | -53.8 | 0 | 0 | 0 | 0 | 110.7 | S264 | S262-S264 PolarHBondContact O-N 3.4Š|
| 263 | I | 29.1 | Very low | 31.2 | Very low | 135 Ų | 135 | 141.1 Ų | 141.1 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | | | trans | -71.8 | 103.6 | 163.1 | -65.2 | 157 | 0 | 0 | 0 | 105.1 | N261 R265 | N261-I263 PolarHBondContact O-N 2.86Å; I263-R265 HydrophobicContact CG2-CG 4.46Å; I263-R265 PolarHBondContact O-N 3.31Å |
| 264 | S | 30.2 | Very low | 31.7 | Very low | 114 Ų | 114 | 141.6 Ų | 141.6 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | | | trans | -54.4 | 92.8 | 165.7 | -175.1 | 0 | 0 | 0 | 0 | 107.3 | S262 G266 | S262-S264 PolarHBondContact O-N 3.4Å; S264-G266 PolarHBondContact O-N 3.19Å |
| 265 | R | 34.4 | Very low | 32.2 | Very low | 231 Ų | 231 | 142.7 Ų | 142.7 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | | | trans | -70.7 | 92.3 | 171.3 | -69.7 | -173.8 | -176.1 | -157.1 | 1.1 | 104.7 | I263 S267 | I263-R265 HydrophobicContact CG2-CG 4.46Å; I263-R265 PolarHBondContact O-N 3.31Å; R265-S267 PolarHBondContact O-N 3.18Å |
| 266 | G | 34.1 | Very low | 32.7 | Very low | 58 Ų | 58 | 142.8 Ų | 142.8 | 60% | 0.598 | 77% | 0.768 | S | S | * | * | | | trans | -42.9 | 137.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | S264 G268 | S264-G266 PolarHBondContact O-N 3.19Å; G266-G268 PolarHBondContact O-N 3.07Å |
| 267 | S | 36.9 | Very low | 33.6 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 90% | 0.895 | 76% | 0.759 | S | S | * | * | | | trans | -63.9 | 58.2 | 179.2 | -171.1 | 0 | 0 | 0 | 0 | 110.9 | R265 R269 | R265-S267 PolarHBondContact O-N 3.18Å; S267-R269 PolarHBondContact O-N 2.96Å |
| 268 | G | 34.8 | Very low | 34 | Very low | 55 Ų | 55 | 138.6 Ų | 138.6 | 57% | 0.567 | 76% | 0.756 | S | S | * | * | | | trans | -74.9 | 113.5 | 162 | 0 | 0 | 0 | 0 | 0 | 104.9 | G266 V270 | G266-G268 PolarHBondContact O-N 3.07Å; G268-V270 VanDerWaalsContact C-N 3.3Å; G268-V270 PolarHBondContact O-N 3.4Å |
| 269 | R | 32.1 | Very low | 34.4 | Very low | 231 Ų | 231 | 141 Ų | 141 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | | | trans | -51 | 103.9 | 166.3 | -72 | -177 | 177 | -145.8 | -0.1 | 106.4 | S267 V271 | S267-R269 PolarHBondContact O-N 2.96Å; R269-V271 PolarHBondContact O-N 3.33Å |
| 270 | V | 37.7 | Very low | 35.1 | Very low | 126 Ų | 126 | 141.8 Ų | 141.8 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | | | trans | -65.7 | 96 | 170.2 | -179.1 | 0 | 0 | 0 | 0 | 104 | G268 Q272 | G268-V270 VanDerWaalsContact C-N 3.3Å; G268-V270 PolarHBondContact O-N 3.4Å; V270-Q272 PolarHBondContact O-N 3Å |
| 271 | V | 37.5 | Very low | 35.5 | Very low | 130 Ų | 130 | 137.3 Ų | 137.3 | 79% | 0.788 | 75% | 0.749 | S | S | * | * | | | trans | -66.6 | 93.4 | 173 | 179.9 | 0 | 0 | 0 | 0 | 104.6 | R269 | R269-V271 PolarHBondContact O-N 3.33Š|
| 272 | Q | 37.2 | Very low | 36.3 | Very low | 159 Ų | 159 | 138 Ų | 138 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | | | trans | -59.9 | 130.4 | 173 | -66.3 | -168.8 | -2.4 | 0 | 0 | 106.8 | V270 L274 | V270-Q272 PolarHBondContact O-N 3Å; Q272-L274 PolarHBondContact O-N 2.75Å |
| 273 | P | 40.8 | Very low | 36.7 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | | | trans | -57 | 129.5 | 176 | 22.7 | -31.5 | 0 | 0 | 0 | 108.2 | R275 | P273-R275 PolarHBondContact O-N 3.12Š|
| 274 | L | 38.7 | Very low | 37 | Very low | 156 Ų | 156 | 136.1 Ų | 136.1 | 82% | 0.817 | 75% | 0.746 | S | S | * | * | | | trans | -57.1 | 109.2 | 177.2 | -171.1 | 75.6 | 0 | 0 | 0 | 107.8 | Q272 V276 | Q272-L274 PolarHBondContact O-N 2.75Å; L274-V276 HydrophobicContact CD2-CG2 3.92Å; L274-V276 HydrophobicContact CG-CG2 4.18Å; L274-V276 PolarHBondContact O-N 2.81Å |
| 275 | R | 37.4 | Very low | 37.3 | Very low | 232 Ų | 232 | 135.2 Ų | 135.2 | 88% | 0.875 | 74% | 0.739 | S | S | * | * | | | trans | -71.7 | 97.2 | 172.4 | -67.7 | -167.9 | -170.1 | -159 | 4 | 107.6 | P273 N277 | P273-R275 PolarHBondContact O-N 3.12Å; R275-N277 PolarHBondContact O-N 2.73Å |
| 276 | V | 37.7 | Very low | 37.5 | Very low | 102 Ų | 102 | 129.7 Ų | 129.7 | 62% | 0.618 | 73% | 0.732 | S | S | * | * | | | trans | -83.2 | 107.1 | 169.7 | -174.7 | 0 | 0 | 0 | 0 | 106.8 | L274 V278 | L274-V276 HydrophobicContact CD2-CG2 3.92Å; L274-V276 HydrophobicContact CG-CG2 4.18Å; L274-V276 PolarHBondContact O-N 2.81Å; V276-V278 PolarHBondContact O-N 3.01Å |
| 277 | N | 44.5 | Very low | 37.5 | Very low | 105 Ų | 105 | 132.9 Ų | 132.9 | 56% | 0.561 | 74% | 0.739 | S | S | * | * | | | trans | -69.2 | 104.3 | 167.9 | -72.5 | -6.4 | 0 | 0 | 0 | 107.3 | R275 Y279 | R275-N277 PolarHBondContact O-N 2.73Å; N277-Y279 VanDerWaalsContact C-N 3.31Å; N277-Y279 HydrophobicContact CB-CD2 4.17Å; N277-Y279 HydrophobicContact CB-CE1 4.47Å; N277-Y279 HydrophobicContact CB-CE2 3.63Å; N277-Y279 PolarHBondContact ND2-OH 2.69Å; N277-Y279 WeakPolarHBondContact O-CD2 3.34Å; N277-Y279 PolarHBondContact O-N 2.75Å; N277-Y279 VanDerWaalsContact O-N 3.08Å |
| 278 | V | 36.4 | Very low | 37.4 | Very low | 121 Ų | 121 | 137 Ų | 137 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | | | trans | -75.9 | 92.6 | 167 | -176 | 0 | 0 | 0 | 0 | 106.1 | V276 N280 | V276-V278 PolarHBondContact O-N 3.01Å; V278-N280 PolarHBondContact O-N 2.67Å |
| 279 | Y | 35.1 | Very low | 37 | Very low | 182 Ų | 182 | 137.7 Ų | 137.7 | 71% | 0.714 | 73% | 0.733 | S | S | * | * | | | trans | -68.8 | 119.4 | 166 | -62.9 | -78.3 | 0 | 0 | 0 | 106.7 | N277 S281 | N277-Y279 VanDerWaalsContact C-N 3.31Å; N277-Y279 HydrophobicContact CB-CD2 4.17Å; N277-Y279 HydrophobicContact CB-CE1 4.47Å; N277-Y279 HydrophobicContact CB-CE2 3.63Å; N277-Y279 PolarHBondContact ND2-OH 2.69Å; N277-Y279 WeakPolarHBondContact O-CD2 3.34Å; N277-Y279 PolarHBondContact O-N 2.75Å; N277-Y279 VanDerWaalsContact O-N 3.08Å; Y279-S281 PolarHBondContact O-N 3.29Å |
| 280 | N | 40 | Very low | 37 | Very low | 133 Ų | 133 | 132.9 Ų | 132.9 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | | | trans | -55.7 | 109.1 | 170.1 | -73.8 | -19.3 | 0 | 0 | 0 | 107.2 | V278 D282 | V278-N280 PolarHBondContact O-N 2.67Å; N280-D282 PolarHBondContact O-N 3.3Å |
| 281 | S | 38.7 | Very low | 36.8 | Very low | 106 Ų | 106 | 134.3 Ų | 134.3 | 74% | 0.741 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 8.9 | -175.1 | 42.6 | 0 | 0 | 0 | 0 | 113.8 | Y279 N283 | Y279-S281 PolarHBondContact O-N 3.29Å; S281-N283 VanDerWaalsContact C-N 3.29Å |
| 282 | D | 41.8 | Very low | 36.5 | Very low | 150 Ų | 150 | 136.7 Ų | 136.7 | 80% | 0.802 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -22.8 | 175.9 | -64.5 | -15.8 | 0 | 0 | 0 | 112 | N280 | N280-D282 PolarHBondContact O-N 3.3Š|
| 283 | N | 34.5 | Very low | 36.2 | Very low | 142 Ų | 142 | 139.1 Ų | 139.1 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -100.4 | 84.4 | 161.9 | -84.2 | -13.4 | 0 | 0 | 0 | 107.8 | S281 S285 | S281-N283 VanDerWaalsContact C-N 3.29Å; N283-S285 PolarHBondContact O-N 2.91Å |
| 284 | A | 37.1 | Very low | 36 | Very low | 85 Ų | 85 | 140.2 Ų | 140.2 | 70% | 0.702 | 74% | 0.742 | S | S | * | * | | | trans | -56.4 | 85.5 | 150.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | T286 | A284-T286 PolarHBondContact O-N 2.73Š|
| 285 | S | 35.3 | Very low | 35.8 | Very low | 94 Ų | 94 | 140.9 Ų | 140.9 | 66% | 0.657 | 74% | 0.741 | S | S | * | * | | | trans | -57.9 | 96.8 | 162.8 | 60.4 | 0 | 0 | 0 | 0 | 103.7 | N283 V287 | N283-S285 PolarHBondContact O-N 2.91Å; S285-V287 PolarHBondContact O-N 3.17Å |
| 286 | T | 38.9 | Very low | 35.5 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 71% | 0.712 | 73% | 0.734 | S | S | * | * | | | trans | -56 | 100.1 | 165.8 | -43.4 | 0 | 0 | 0 | 0 | 103.1 | A284 Y288 | A284-T286 PolarHBondContact O-N 2.73Å; T286-Y288 WeakPolarHBondContact O-CD2 3.32Å; T286-Y288 PolarHBondContact O-N 3.06Å |
| 287 | V | 35.2 | Very low | 35.4 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | | | trans | -60.4 | 102.8 | 174.4 | 177.1 | 0 | 0 | 0 | 0 | 102.7 | S285 S289 | S285-V287 PolarHBondContact O-N 3.17Å; V287-S289 PolarHBondContact O-N 2.71Å |
| 288 | Y | 33.1 | Very low | 35.1 | Very low | 214 Ų | 214 | 135.3 Ų | 135.3 | 84% | 0.839 | 75% | 0.747 | S | S | * | * | | | trans | -55.7 | 97.4 | 170.2 | -89 | -98.2 | 0 | 0 | 0 | 105 | T286 | T286-Y288 WeakPolarHBondContact O-CD2 3.32Å; T286-Y288 PolarHBondContact O-N 3.06Å |
| 289 | S | 26.2 | Very low | 35.1 | Very low | 71 Ų | 71 | 136.7 Ų | 136.7 | 50% | 0.497 | 75% | 0.751 | S | S | . | * | | | trans | -51.9 | 132.2 | 159.9 | -167.9 | 0 | 0 | 0 | 0 | 105.2 | V287 H291 | V287-S289 PolarHBondContact O-N 2.71Å; S289-H291 PolarHBondContact O-N 2.88Å |
| 290 | P | 34 | Very low | 34.9 | Very low | 129 Ų | 129 | 139.5 Ų | 139.5 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | | | trans | -68.6 | 77.7 | -174.5 | 22.3 | -25.1 | 0 | 0 | 0 | 108.8 | K292 | P290-K292 PolarHBondContact O-N 3.3Š|
| 291 | H | 32.2 | Very low | 34.6 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | | | trans | -75.6 | 110.2 | 175.6 | -88.1 | -77.5 | 0 | 0 | 0 | 106.4 | S289 | S289-H291 PolarHBondContact O-N 2.88Š|
| 292 | K | 31.1 | Very low | 34.5 | Very low | 180 Ų | 180 | 139.7 Ų | 139.7 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | | | trans | 20.5 | 112.2 | 139.6 | -71.5 | -178.5 | 173.4 | -177 | 0 | 112.7 | P290 V294 | P290-K292 PolarHBondContact O-N 3.3Å; K292-V294 VanDerWaalsContact C-N 3.35Å; K292-V294 PolarHBondContact O-N 3Å |
| 293 | K | 32.4 | Very low | 34.3 | Very low | 211 Ų | 211 | 137.7 Ų | 137.7 | 92% | 0.917 | 76% | 0.756 | S | S | * | * | | | trans | -34.8 | 100.2 | 157.7 | -76.9 | 179.7 | 171.4 | -172.1 | 0 | 109.2 | | |
| 294 | V | 36.2 | Very low | 34.4 | Very low | 136 Ų | 136 | 136.3 Ų | 136.3 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | | | trans | -104.2 | 105.1 | 159.6 | 178 | 0 | 0 | 0 | 0 | 103.5 | K292 | K292-V294 VanDerWaalsContact C-N 3.35Å; K292-V294 PolarHBondContact O-N 3Å |
| 295 | E | 33 | Very low | 34.7 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | | | trans | -51.3 | 141.1 | 174.4 | -77.3 | 165 | 139.8 | 0 | 0 | 111.2 | | |
| 296 | S | 32.1 | Very low | 35 | Very low | 105 Ų | 105 | 139.9 Ų | 139.9 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | | | trans | 47.3 | 95.6 | 149.6 | 66.6 | 0 | 0 | 0 | 0 | 117.5 | | |
| 297 | S | 36.1 | Very low | 34.8 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | trans | -140.8 | 96.5 | 132.4 | 40.6 | 0 | 0 | 0 | 0 | 108.6 | N299 | S297-N299 PolarHBondContact O-N 3.28Š|
| 298 | P | 37.9 | Very low | 35.4 | Very low | 110 Ų | 110 | 141.6 Ų | 141.6 | 71% | 0.714 | 75% | 0.753 | S | S | * | * | | | trans | -78.5 | 63.5 | 176.2 | 34.3 | -32.5 | 0 | 0 | 0 | 109.2 | W300 | P298-W300 VanDerWaalsContact C-N 3.25Å; P298-W300 PolarHBondContact O-N 3.02Å |
| 299 | N | 36.3 | Very low | 35.8 | Very low | 150 Ų | 150 | 136 Ų | 136 | 80% | 0.802 | 75% | 0.75 | S | S | * | * | | | trans | -97 | 65.2 | 165.8 | -79.1 | 7 | 0 | 0 | 0 | 108.2 | S297 N301 | S297-N299 PolarHBondContact O-N 3.28Å; N299-N301 PolarHBondContact O-N 3.14Å |
| 300 | W | 31 | Very low | 36.2 | Very low | 241 Ų | 241 | 142.1 Ų | 142.1 | 91% | 0.913 | 76% | 0.764 | S | S | * | * | | | trans | -57.6 | 94.1 | 151.9 | -88.6 | 83.9 | 0 | 0 | 0 | 106.6 | P298 P302 | P298-W300 VanDerWaalsContact C-N 3.25Å; P298-W300 PolarHBondContact O-N 3.02Å; W300-P302 VanDerWaalsContact O-CD 3.25Å; W300-P302 WeakPolarHBondContact O-CD 3.26Å |
| 301 | N | 33.3 | Very low | 36.8 | Very low | 152 Ų | 152 | 140.7 Ų | 140.7 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | | | trans | -86.4 | 105 | 163.3 | -156.4 | 3.9 | 0 | 0 | 0 | 106.2 | N299 S303 | N299-N301 PolarHBondContact O-N 3.14Å; N301-S303 PolarHBondContact O-N 3.18Å |
| 302 | P | 37.8 | Very low | 37.3 | Very low | 90 Ų | 90 | 136.9 Ų | 136.9 | 58% | 0.584 | 75% | 0.751 | S | S | * | * | | | trans | -70.3 | 130.6 | -172.2 | 28.9 | -32.8 | 0 | 0 | 0 | 110.3 | W300 S304 | W300-P302 VanDerWaalsContact O-CD 3.25Å; W300-P302 WeakPolarHBondContact O-CD 3.26Å; P302-S304 PolarHBondContact O-N 2.79Å |
| 303 | S | 37.4 | Very low | 37.8 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | | | trans | 45.8 | 75.9 | 144.5 | -52.7 | 0 | 0 | 0 | 0 | 116.6 | N301 P305 | N301-S303 PolarHBondContact O-N 3.18Å; S303-P305 VanDerWaalsContact O-CD 3.27Å; S303-P305 WeakPolarHBondContact O-CD 3.47Å |
| 304 | S | 34.9 | Very low | 38.1 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | | | trans | -62.1 | 116 | 147.2 | -58 | 0 | 0 | 0 | 0 | 106.8 | P302 I306 | P302-S304 PolarHBondContact O-N 2.79Å; S304-I306 PolarHBondContact O-N 2.99Å |
| 305 | P | 43.8 | Very low | 38.2 | Very low | 93 Ų | 93 | 136.8 Ų | 136.8 | 60% | 0.604 | 75% | 0.746 | S | S | * | * | | | trans | -60.2 | 117.8 | -176.9 | 21.8 | -30.5 | 0 | 0 | 0 | 108.7 | S303 Y307 | S303-P305 VanDerWaalsContact O-CD 3.27Å; S303-P305 WeakPolarHBondContact O-CD 3.47Å; P305-Y307 VanDerWaalsContact C-N 3.26Å; P305-Y307 HydrophobicContact CG-CE2 4.08Å; P305-Y307 WeakPolarHBondContact O-CD2 3.39Å; P305-Y307 PolarHBondContact O-N 2.76Å |
| 306 | I | 42.1 | Very low | 38.5 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 83% | 0.826 | 75% | 0.749 | S | S | * | * | | | trans | -65.1 | 96.6 | 167.1 | -62.4 | 170.8 | 0 | 0 | 0 | 104.9 | S304 P308 | S304-I306 PolarHBondContact O-N 2.99Å; I306-P308 VanDerWaalsContact O-CD 3.25Å; I306-P308 WeakPolarHBondContact O-CD 3.3Å |
| 307 | Y | 35.8 | Very low | 38.9 | Very low | 190 Ų | 190 | 140.4 Ų | 140.4 | 75% | 0.745 | 75% | 0.752 | S | S | * | * | | | trans | -61.2 | 118.1 | 167.7 | -79.8 | -87.7 | 0 | 0 | 0 | 106.7 | P305 A309 | P305-Y307 VanDerWaalsContact C-N 3.26Å; P305-Y307 HydrophobicContact CG-CE2 4.08Å; P305-Y307 WeakPolarHBondContact O-CD2 3.39Å; P305-Y307 PolarHBondContact O-N 2.76Å; Y307-A309 PolarHBondContact O-N 2.9Å; Y307-A309 VanDerWaalsContact O-N 3.1Å |
| 308 | P | 48 | Very low | 39.3 | Very low | 86 Ų | 86 | 142.8 Ų | 142.8 | 56% | 0.558 | 76% | 0.756 | S | S | * | * | | | trans | -58.3 | 122.7 | 167.5 | 24.2 | -29.9 | 0 | 0 | 0 | 106.3 | I306 Y310 | I306-P308 VanDerWaalsContact O-CD 3.25Å; I306-P308 WeakPolarHBondContact O-CD 3.3Å; P308-Y310 VanDerWaalsContact C-N 3.31Å; P308-Y310 WeakPolarHBondContact O-CD2 2.99Å; P308-Y310 PolarHBondContact O-N 2.83Å |
| 309 | A | 39.7 | Very low | 39.3 | Very low | 95 Ų | 95 | 145.8 Ų | 145.8 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | | | trans | -57.9 | 101.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | Y307 P311 | Y307-A309 PolarHBondContact O-N 2.9Å; Y307-A309 VanDerWaalsContact O-N 3.1Å; A309-P311 WeakPolarHBondContact O-CD 3.33Å; A309-P311 VanDerWaalsContact O-N 3.11Å |
| 310 | Y | 35.9 | Very low | 39.5 | Very low | 200 Ų | 200 | 143.9 Ų | 143.9 | 78% | 0.784 | 75% | 0.754 | S | S | * | * | | | trans | -58.5 | 117 | 175 | -77.4 | -86.4 | 0 | 0 | 0 | 107 | P308 A312 | P308-Y310 VanDerWaalsContact C-N 3.31Å; P308-Y310 WeakPolarHBondContact O-CD2 2.99Å; P308-Y310 PolarHBondContact O-N 2.83Å; Y310-A312 PolarHBondContact O-N 2.87Å; Y310-A312 VanDerWaalsContact O-N 3.11Å |
| 311 | P | 47.1 | Very low | 40 | Very low | 99 Ų | 99 | 138.9 Ų | 138.9 | 64% | 0.643 | 75% | 0.745 | S | S | * | * | | | trans | -62.1 | 118.7 | 168.1 | -15.2 | 30.1 | 0 | 0 | 0 | 106.3 | A309 Y313 M314 | A309-P311 WeakPolarHBondContact O-CD 3.33Å; A309-P311 VanDerWaalsContact O-N 3.11Å; P311-Y313 PolarHBondContact O-N 3.14Å; P311-M314 HydrophobicContact CB-CG 4.28Å |
| 312 | A | 41.8 | Very low | 40.3 | Very low | 77 Ų | 77 | 138.5 Ų | 138.5 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | 110.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | Y310 M314 | Y310-A312 PolarHBondContact O-N 2.87Å; Y310-A312 VanDerWaalsContact O-N 3.11Å; A312-M314 PolarHBondContact O-N 3.1Å |
| 313 | Y | 40.7 | Very low | 40.3 | Very low | 223 Ų | 223 | 140.1 Ų | 140.1 | 88% | 0.875 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.7 | 61.3 | 167.2 | -48.7 | -82.4 | 0 | 0 | 0 | 115 | P311 | P311-Y313 PolarHBondContact O-N 3.14Š|
| 314 | M | 39.3 | Very low | 40.5 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | | | trans | -91.8 | 113.8 | 154.8 | -72.7 | -72.1 | 125.2 | 0 | 0 | 107.1 | P311 A312 K316 | P311-M314 HydrophobicContact CB-CG 4.28Å; A312-M314 PolarHBondContact O-N 3.1Å; M314-K316 PolarHBondContact O-N 3.44Å |
| 315 | D | 38.9 | Very low | 41 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | | | trans | -46.4 | 131.7 | 171.2 | -79.5 | -39.7 | 0 | 0 | 0 | 109 | L317 | D315-L317 PolarHBondContact O-N 2.84Š|
| 316 | K | 39.9 | Very low | 40.8 | Very low | 201 Ų | 201 | 147.2 Ų | 147.2 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | | | trans | -66.9 | 67.5 | -179.9 | -62.4 | 176.4 | -177.9 | 179.8 | 0 | 109.4 | M314 N318 | M314-K316 PolarHBondContact O-N 3.44Å; K316-N318 PolarHBondContact O-N 2.97Å |
| 317 | L | 40.3 | Very low | 40.8 | Very low | 151 Ų | 151 | 149 Ų | 149 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | | | trans | -65.8 | 115.6 | 159.8 | -104.3 | 110.7 | 0 | 0 | 0 | 105.3 | D315 H319 | D315-L317 PolarHBondContact O-N 2.84Å; L317-H319 PolarHBondContact O-N 2.71Å |
| 318 | N | 43.1 | Very low | 40.9 | Very low | 156 Ų | 156 | 150.2 Ų | 150.2 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | | | trans | -46 | 87.5 | 172.4 | -70 | -43.6 | 0 | 0 | 0 | 109.7 | K316 V320 | K316-N318 PolarHBondContact O-N 2.97Å; N318-V320 PolarHBondContact O-N 2.86Å |
| 319 | H | 38.7 | Very low | 40.5 | Very low | 174 Ų | 174 | 157.7 Ų | 157.7 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | | | trans | -76.9 | 87 | 171.6 | -137.4 | 65.4 | 0 | 0 | 0 | 104.1 | L317 D321 | L317-H319 PolarHBondContact O-N 2.71Å; H319-D321 PolarHBondContact O-N 2.81Å; H319-D321 VanDerWaalsContact O-N 3.11Å |
| 320 | V | 41.3 | Very low | 40.6 | Very low | 109 Ų | 109 | 161 Ų | 161 | 66% | 0.661 | 76% | 0.763 | S | S | * | * | | | trans | -53.9 | 119.2 | 163.2 | 175.4 | 0 | 0 | 0 | 0 | 104.6 | N318 I322 | N318-V320 PolarHBondContact O-N 2.86Å; V320-I322 PolarHBondContact O-N 2.96Å |
| 321 | D | 41.4 | Very low | 40.7 | Very low | 137 Ų | 137 | 158.3 Ų | 158.3 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | | | trans | -56.2 | 88.1 | 172.2 | -78.4 | -39.6 | 0 | 0 | 0 | 108.2 | H319 Q323 | H319-D321 PolarHBondContact O-N 2.81Å; H319-D321 VanDerWaalsContact O-N 3.11Å; D321-Q323 PolarHBondContact O-N 2.75Å |
| 322 | I | 38.8 | Very low | 40 | Very low | 143 Ų | 143 | 158 Ų | 158 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | | | trans | -74.1 | 79.5 | 166.8 | -57.7 | 173.2 | 0 | 0 | 0 | 104.1 | V320 P324 | V320-I322 PolarHBondContact O-N 2.96Å; I322-P324 WeakPolarHBondContact O-CD 2.96Å; I322-P324 VanDerWaalsContact O-N 3.09Å |
| 323 | Q | 36.6 | Very low | 39.7 | Very low | 124 Ų | 124 | 160.4 Ų | 160.4 | 58% | 0.579 | 76% | 0.764 | S | S | * | * | | | trans | -47.5 | 120.1 | 162.4 | -76.3 | -82.7 | -22.7 | 0 | 0 | 105.7 | D321 L325 | D321-Q323 PolarHBondContact O-N 2.75Å; Q323-L325 PolarHBondContact O-N 3.07Å; Q323-L325 VanDerWaalsContact O-N 3.07Å |
| 324 | P | 43.3 | Very low | 39.3 | Very low | 102 Ų | 102 | 160.2 Ų | 160.2 | 66% | 0.662 | 76% | 0.762 | S | S | * | * | | | trans | -53.8 | 125.9 | 179.8 | 20.1 | -30.5 | 0 | 0 | 0 | 106.9 | I322 R326 | I322-P324 WeakPolarHBondContact O-CD 2.96Å; I322-P324 VanDerWaalsContact O-N 3.09Å; P324-R326 VanDerWaalsContact C-N 3.29Å; P324-R326 PolarHBondContact O-N 2.91Å |
| 325 | L | 45.5 | Very low | 39.1 | Very low | 154 Ų | 154 | 158.6 Ų | 158.6 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | | | trans | -47.8 | 98.6 | 178.3 | -89.4 | 124.1 | 0 | 0 | 0 | 107.8 | Q323 Y327 | Q323-L325 PolarHBondContact O-N 3.07Å; Q323-L325 VanDerWaalsContact O-N 3.07Å; L325-Y327 VanDerWaalsContact C-N 3.31Å; L325-Y327 PolarHBondContact O-N 2.9Å |
| 326 | R | 39.2 | Very low | 39 | Very low | 208 Ų | 208 | 157.4 Ų | 157.4 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | | | trans | -63.5 | 106.6 | 167.9 | -67 | -174.6 | -155 | -174 | 6.4 | 103.4 | P324 R328 | P324-R326 VanDerWaalsContact C-N 3.29Å; P324-R326 PolarHBondContact O-N 2.91Å; R326-R328 PolarHBondContact O-N 2.77Å |
| 327 | Y | 42.3 | Very low | 38.6 | Very low | 198 Ų | 198 | 152.7 Ų | 152.7 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | | | trans | -46.4 | 106.2 | 175 | -69.5 | -86.4 | 0 | 0 | 0 | 107.4 | L325 R329 | L325-Y327 VanDerWaalsContact C-N 3.31Å; L325-Y327 PolarHBondContact O-N 2.9Å; Y327-R329 PolarHBondContact O-N 3.08Å |
| 328 | R | 37.5 | Very low | 38.2 | Very low | 217 Ų | 217 | 152.5 Ų | 152.5 | 82% | 0.819 | 75% | 0.747 | S | S | * | * | | | trans | -59.1 | 132.9 | 173.8 | -84.1 | -171.5 | 174.7 | 179.8 | -0.7 | 106 | R326 E330 Q331 | R326-R328 PolarHBondContact O-N 2.77Å; R328-E330 PolarHBondContact O-N 2.71Å; R328-Q331 PolarHBondContact O-N 3.37Å; R328-Q331 VanDerWaalsContact O-N 3.14Å |
| 329 | R | 40.1 | Very low | 37.4 | Very low | 243 Ų | 243 | 154.8 Ų | 154.8 | 92% | 0.917 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.7 | -11.9 | -175.1 | -154.3 | 179.2 | -161.4 | -173.5 | 4.2 | 115 | Y327 | Y327-R329 PolarHBondContact O-N 3.08Š|
| 330 | E | 41.4 | Very low | 37.1 | Very low | 164 Ų | 164 | 151.4 Ų | 151.4 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -19.9 | -178.8 | -54.3 | -63 | 146 | 0 | 0 | 114 | R328 S332 | R328-E330 PolarHBondContact O-N 2.71Å; E330-S332 PolarHBondContact O-N 2.91Å |
| 331 | Q | 37.1 | Very low | 36.5 | Very low | 144 Ų | 144 | 151.2 Ų | 151.2 | 67% | 0.673 | 74% | 0.741 | S | S | * | * | | | trans | -79 | 63.2 | 170.3 | -69.2 | -172.9 | -6.8 | 0 | 0 | 109.6 | R328 V333 | R328-Q331 PolarHBondContact O-N 3.37Å; R328-Q331 VanDerWaalsContact O-N 3.14Å; Q331-V333 PolarHBondContact O-N 2.73Å |
| 332 | S | 32.6 | Very low | 36.2 | Very low | 92 Ų | 92 | 152.5 Ų | 152.5 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | | | trans | -59.9 | 92.2 | 163.1 | 54.8 | 0 | 0 | 0 | 0 | 107.3 | E330 R334 | E330-S332 PolarHBondContact O-N 2.91Å; S332-R334 VanDerWaalsContact C-N 3.29Å; S332-R334 PolarHBondContact O-N 2.79Å |
| 333 | V | 36.7 | Very low | 35.8 | Very low | 128 Ų | 128 | 151.5 Ų | 151.5 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | | | trans | -58.3 | 101.9 | 168.7 | 178.4 | 0 | 0 | 0 | 0 | 105.1 | Q331 | Q331-V333 PolarHBondContact O-N 2.73Š|
| 334 | R | 31.4 | Very low | 35.6 | Very low | 219 Ų | 219 | 151.1 Ų | 151.1 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 124.3 | 175.7 | -65.1 | -171.2 | 179.7 | -166.7 | 0.9 | 105.9 | S332 V336 | S332-R334 VanDerWaalsContact C-N 3.29Å; S332-R334 PolarHBondContact O-N 2.79Å; R334-V336 PolarHBondContact O-N 2.74Å |
| 335 | P | 35.6 | Very low | 35.1 | Very low | 118 Ų | 118 | 151.9 Ų | 151.9 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 116.4 | -179.4 | 21.2 | -30.4 | 0 | 0 | 0 | 108.3 | T337 | P335-T337 PolarHBondContact O-N 2.87Å; P335-T337 VanDerWaalsContact O-N 3.17Å |
| 336 | V | 35.4 | Very low | 34.7 | Very low | 124 Ų | 124 | 150.2 Ų | 150.2 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 119 | 170.9 | 171.9 | 0 | 0 | 0 | 0 | 106.3 | R334 I338 | R334-V336 PolarHBondContact O-N 2.74Å; V336-I338 HydrophobicContact CG1-CG1 4.43Å; V336-I338 PolarHBondContact O-N 2.84Å; V336-I338 VanDerWaalsContact O-N 3.13Å |
| 337 | T | 33.2 | Very low | 34.5 | Very low | 102 Ų | 102 | 146.5 Ų | 146.5 | 63% | 0.626 | 75% | 0.747 | S | S | * | * | | | trans | -75.8 | 103.3 | 178 | -53.1 | 0 | 0 | 0 | 0 | 107.1 | P335 Y339 | P335-T337 PolarHBondContact O-N 2.87Å; P335-T337 VanDerWaalsContact O-N 3.17Å; T337-Y339 PolarHBondContact O-N 2.77Å |
| 338 | I | 30.2 | Very low | 34.2 | Very low | 147 Ų | 147 | 142.3 Ų | 142.3 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | | | trans | -84.3 | 108.7 | 174.9 | -51.9 | 175 | 0 | 0 | 0 | 106.5 | V336 S340 | V336-I338 HydrophobicContact CG1-CG1 4.43Å; V336-I338 PolarHBondContact O-N 2.84Å; V336-I338 VanDerWaalsContact O-N 3.13Å; I338-S340 PolarHBondContact O-N 2.96Å; I338-S340 VanDerWaalsContact O-N 3.17Å |
| 339 | Y | 27.6 | Very low | 34 | Very low | 203 Ų | 203 | 137.6 Ų | 137.6 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | | | trans | -70.5 | 106.5 | 169.2 | -63.4 | -82.1 | 0 | 0 | 0 | 108 | T337 T341 | T337-Y339 PolarHBondContact O-N 2.77Å; Y339-T341 PolarHBondContact O-N 3.11Å |
| 340 | S | 32.1 | Very low | 33.8 | Very low | 103 Ų | 103 | 131.4 Ų | 131.4 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | | | trans | -78.9 | 104.7 | 168 | 69.9 | 0 | 0 | 0 | 0 | 108.1 | I338 | I338-S340 PolarHBondContact O-N 2.96Å; I338-S340 VanDerWaalsContact O-N 3.17Å |
| 341 | T | 29 | Very low | 33.4 | Very low | 105 Ų | 105 | 130.2 Ų | 130.2 | 64% | 0.644 | 72% | 0.716 | S | S | * | * | | | trans | -63.5 | 139.4 | 159.6 | 50.9 | 0 | 0 | 0 | 0 | 107.8 | Y339 N343 | Y339-T341 PolarHBondContact O-N 3.11Å; T341-N343 PolarHBondContact O-N 3.13Å |
| 342 | N | 33.9 | Very low | 33.2 | Very low | 165 Ų | 165 | 127.8 Ų | 127.8 | 88% | 0.882 | 71% | 0.711 | S | S | * | * | | | trans | -67.6 | 57.4 | 174.6 | -75.2 | -28.7 | 0 | 0 | 0 | 111 | | |
| 343 | N | 30.4 | Very low | 33.3 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 65% | 0.652 | 71% | 0.71 | S | S | * | * | | | trans | -72.8 | 129.7 | 162.9 | -81.6 | -25.6 | 0 | 0 | 0 | 106.7 | T341 T345 | T341-N343 PolarHBondContact O-N 3.13Å; N343-T345 PolarHBondContact O-N 2.98Å |
| 344 | P | 34 | Very low | 33.3 | Very low | 115 Ų | 115 | 129.2 Ų | 129.2 | 75% | 0.747 | 70% | 0.697 | S | S | * | * | | | trans | -54 | 115.9 | 175.3 | 22.5 | -31.5 | 0 | 0 | 0 | 107.5 | T346 | P344-T346 VanDerWaalsContact C-N 3.26Å; P344-T346 PolarHBondContact O-N 2.81Å |
| 345 | T | 32.9 | Very low | 33.8 | Very low | 119 Ų | 119 | 124.1 Ų | 124.1 | 73% | 0.73 | 69% | 0.685 | S | S | * | * | | | trans | -63.5 | 93.1 | 175.5 | 5.7 | 0 | 0 | 0 | 0 | 106.9 | N343 N347 | N343-T345 PolarHBondContact O-N 2.98Å; T345-N347 PolarHBondContact O-N 2.86Å |
| 346 | T | 36.9 | Very low | 33.8 | Very low | 119 Ų | 119 | 126.5 Ų | 126.5 | 73% | 0.73 | 68% | 0.679 | S | S | * | * | | | trans | -61.8 | 95.1 | 156.7 | 35.6 | 0 | 0 | 0 | 0 | 105.5 | P344 T348 | P344-T346 VanDerWaalsContact C-N 3.26Å; P344-T346 PolarHBondContact O-N 2.81Å; T346-T348 PolarHBondContact O-N 2.92Å |
| 347 | N | 34.9 | Very low | 34 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 70% | 0.695 | 68% | 0.679 | S | S | * | * | | | trans | -63.9 | 86.3 | 170 | -74.6 | -31.4 | 0 | 0 | 0 | 106.8 | T345 T349 | T345-N347 PolarHBondContact O-N 2.86Å; N347-T349 VanDerWaalsContact C-N 3.33Å; N347-T349 PolarHBondContact O-N 2.98Å |
| 348 | T | 34.6 | Very low | 34.2 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 68% | 0.675 | 69% | 0.688 | S | S | * | * | | | trans | -73.6 | 94.3 | 169.4 | 48.3 | 0 | 0 | 0 | 0 | 106.9 | T346 I350 | T346-T348 PolarHBondContact O-N 2.92Å; T348-I350 PolarHBondContact O-N 2.82Å; T348-I350 VanDerWaalsContact O-N 3.16Å |
| 349 | T | 33.1 | Very low | 34.7 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 72% | 0.718 | 69% | 0.685 | S | S | * | * | | | trans | -67.9 | 109 | 167.9 | -46 | 0 | 0 | 0 | 0 | 107.5 | N347 E351 | N347-T349 VanDerWaalsContact C-N 3.33Å; N347-T349 PolarHBondContact O-N 2.98Å; T349-E351 PolarHBondContact O-N 2.85Å |
| 350 | I | 36.6 | Very low | 35.3 | Very low | 113 Ų | 113 | 123.8 Ų | 123.8 | 58% | 0.579 | 68% | 0.682 | S | S | * | * | | | trans | -84.5 | 98.4 | 177.5 | -56.3 | 173.2 | 0 | 0 | 0 | 107.2 | T348 T352 | T348-I350 PolarHBondContact O-N 2.82Å; T348-I350 VanDerWaalsContact O-N 3.16Å; I350-T352 HydrophobicContact CG2-CG2 4.32Å |
| 351 | E | 32.3 | Very low | 35.7 | Very low | 139 Ų | 139 | 122.8 Ų | 122.8 | 65% | 0.65 | 68% | 0.68 | S | S | * | * | | | trans | -84.8 | 107.9 | 167.3 | -74.2 | -169.8 | 178.4 | 0 | 0 | 109.5 | T349 K353 | T349-E351 PolarHBondContact O-N 2.85Å; E351-K353 PolarHBondContact O-N 2.8Å; E351-K353 WeakPolarHBondContact OE2-CE 3.49Å; E351-K353 IonicContact OE2-NZ 3.88Å |
| 352 | T | 34 | Very low | 36.5 | Very low | 94 Ų | 94 | 125.7 Ų | 125.7 | 58% | 0.577 | 69% | 0.686 | S | S | * | * | | | trans | -82.6 | 106.2 | 168 | 50.7 | 0 | 0 | 0 | 0 | 109.3 | W129 I350 | W129-T352 HydrophobicContact CE3-CG2 4.15Å; W129-T352 HydrophobicContact CZ3-CG2 4.3Å; I350-T352 HydrophobicContact CG2-CG2 4.32Å |
| 353 | K | 34.5 | Very low | 36.9 | Very low | 140 Ų | 140 | 125.3 Ų | 125.3 | 61% | 0.609 | 68% | 0.684 | S | S | * | * | | | trans | -91.1 | 128.8 | 171 | -70.9 | -176.9 | -179.4 | 176.3 | 0 | 109.9 | E351 I355 | E351-K353 PolarHBondContact O-N 2.8Å; E351-K353 WeakPolarHBondContact OE2-CE 3.49Å; E351-K353 IonicContact OE2-NZ 3.88Å; K353-I355 PolarHBondContact O-N 3.04Å |
| 354 | Q | 37 | Very low | 37.2 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 51% | 0.514 | 69% | 0.691 | S | S | . | * | | | trans | -73.2 | 112.3 | 170.5 | -172 | 173.7 | 8.8 | 0 | 0 | 108.2 | W356 | Q354-W356 HydrophobicContact CG-CZ2 4.35Å; Q354-W356 VanDerWaalsContact NE2-CH2 3.33Å |
| 355 | I | 41.7 | Very low | 37.6 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 57% | 0.569 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 120.7 | 175.8 | -57.2 | 173.3 | 0 | 0 | 0 | 107.4 | K353 | K353-I355 PolarHBondContact O-N 3.04Š|
| 356 | W | 36.6 | Very low | 38.1 | Very low | 168 Ų | 168 | 131 Ų | 131 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 121.1 | 172 | -59.1 | 95.8 | 0 | 0 | 0 | 108.3 | I125 Q354 | I125-W356 HydrophobicContact CB-CZ3 4.45Å; I125-W356 HydrophobicContact CD1-CE3 4.48Å; I125-W356 HydrophobicContact CD1-CZ3 4.26Å; I125-W356 HydrophobicContact CG2-CE3 4.25Å; I125-W356 HydrophobicContact CG2-CZ3 4.09Å; Q354-W356 HydrophobicContact CG-CZ2 4.35Å; Q354-W356 VanDerWaalsContact NE2-CH2 3.33Å |
| 357 | K | 38.9 | Very low | 38.3 | Very low | 174 Ų | 174 | 130.8 Ų | 130.8 | 76% | 0.757 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 123.5 | 168.4 | -71.3 | -174.9 | 176.7 | -178.6 | 0 | 107.7 | I359 | K357-I359 PolarHBondContact O-N 2.98Š|
| 358 | A | 36.8 | Very low | 38.7 | Very low | 99 Ų | 99 | 133.1 Ų | 133.1 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -64 | 121.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 359 | I | 40.4 | Very low | 38.9 | Very low | 134 Ų | 134 | 139 Ų | 139 | 69% | 0.687 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 128.7 | 168.2 | -59.3 | 173.9 | 0 | 0 | 0 | 105.7 | K357 A361 | K357-I359 PolarHBondContact O-N 2.98Å; I359-A361 PolarHBondContact O-N 3.35Å; I359-A361 VanDerWaalsContact O-N 3.13Å |
| 360 | P | 40 | Very low | 39.2 | Very low | 113 Ų | 113 | 139.5 Ų | 139.5 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 122 | 175.2 | 22.7 | -30.8 | 0 | 0 | 0 | 108.4 | Q362 | P360-Q362 PolarHBondContact O-N 3.02Š|
| 361 | A | 41.3 | Very low | 39.5 | Very low | 82 Ų | 82 | 140.1 Ų | 140.1 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | | | trans | -58.2 | 112.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | I359 N363 | I359-A361 PolarHBondContact O-N 3.35Å; I359-A361 VanDerWaalsContact O-N 3.13Å; A361-N363 PolarHBondContact O-N 3.11Å |
| 362 | Q | 45.2 | Very low | 39.7 | Very low | 166 Ų | 166 | 144.3 Ų | 144.3 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | | | trans | -61.7 | 108.9 | -179.1 | -169.4 | 142.5 | -10.2 | 0 | 0 | 108.6 | P360 W364 | P360-Q362 PolarHBondContact O-N 3.02Å; Q362-W364 PolarHBondContact O-N 3.28Å |
| 363 | N | 42.9 | Very low | 40.1 | Very low | 157 Ų | 157 | 145.4 Ų | 145.4 | 84% | 0.84 | 74% | 0.744 | S | S | * | * | | | trans | -2.3 | 84.3 | 175.6 | -62.2 | -25.8 | 0 | 0 | 0 | 114.1 | A361 S365 | A361-N363 PolarHBondContact O-N 3.11Å; N363-S365 PolarHBondContact O-N 2.86Å |
| 364 | W | 36.7 | Very low | 40.1 | Very low | 212 Ų | 212 | 141 Ų | 141 | 80% | 0.803 | 74% | 0.738 | S | S | * | * | | | trans | -70.3 | 105.4 | 166.6 | -72.3 | 56.8 | 0 | 0 | 0 | 104.6 | Q362 D366 | Q362-W364 PolarHBondContact O-N 3.28Å; W364-D366 PolarHBondContact O-N 3.43Å; W364-D366 VanDerWaalsContact O-N 3.17Å |
| 365 | S | 42.5 | Very low | 40.2 | Very low | 95 Ų | 95 | 142.2 Ų | 142.2 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | | | trans | -52.6 | 124.6 | 170.3 | 41.1 | 0 | 0 | 0 | 0 | 107.3 | N363 T367 | N363-S365 PolarHBondContact O-N 2.86Å; S365-T367 PolarHBondContact O-N 3.07Å; S365-T367 PolarHBondContact O-OG1 2.8Å; S365-T367 PolarHBondContact OG-OG1 2.84Å |
| 366 | D | 43.4 | Very low | 40.3 | Very low | 168 Ų | 168 | 145.2 Ų | 145.2 | 90% | 0.898 | 76% | 0.763 | S | S | * | * | | | trans | -59.1 | 76.2 | 173.7 | -77.4 | -43.3 | 0 | 0 | 0 | 108.8 | W364 Q368 | W364-D366 PolarHBondContact O-N 3.43Å; W364-D366 VanDerWaalsContact O-N 3.17Å; D366-Q368 VanDerWaalsContact C-N 3.31Å; D366-Q368 PolarHBondContact O-N 3.12Å |
| 367 | T | 41.7 | Very low | 40.3 | Very low | 115 Ų | 115 | 144.6 Ų | 144.6 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | trans | -78.6 | 97.2 | -176 | -44 | 0 | 0 | 0 | 0 | 104.1 | S365 R369 | S365-T367 PolarHBondContact O-N 3.07Å; S365-T367 PolarHBondContact O-OG1 2.8Å; S365-T367 PolarHBondContact OG-OG1 2.84Å; T367-R369 PolarHBondContact O-N 2.88Å |
| 368 | Q | 41.7 | Very low | 40.4 | Very low | 179 Ų | 179 | 141.7 Ų | 141.7 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | | | trans | 3.3 | 89.8 | 170.3 | -64 | -164.7 | -5.6 | 0 | 0 | 112.4 | D366 T370 | D366-Q368 VanDerWaalsContact C-N 3.31Å; D366-Q368 PolarHBondContact O-N 3.12Å; Q368-T370 VanDerWaalsContact C-N 3.26Å; Q368-T370 PolarHBondContact O-N 3.01Å |
| 369 | R | 39 | Very low | 40.4 | Very low | 234 Ų | 234 | 142.6 Ų | 142.6 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | | | trans | -59.5 | 97.1 | 172.8 | -158.3 | -178.7 | -137.6 | -106.9 | 3.3 | 106 | T367 V371 | T367-R369 PolarHBondContact O-N 2.88Å; R369-V371 VanDerWaalsContact C-N 3.31Å; R369-V371 WeakPolarHBondContact O-CG2 3.45Å; R369-V371 PolarHBondContact O-N 2.88Å |
| 370 | T | 40.2 | Very low | 40.2 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | | | trans | -54.8 | 102.9 | 173.6 | -47.2 | 0 | 0 | 0 | 0 | 105.9 | Q368 R372 | Q368-T370 VanDerWaalsContact C-N 3.26Å; Q368-T370 PolarHBondContact O-N 3.01Å; T370-R372 PolarHBondContact O-N 2.91Å |
| 371 | V | 43 | Very low | 40.1 | Very low | 125 Ų | 125 | 145.4 Ų | 145.4 | 76% | 0.758 | 77% | 0.769 | S | S | * | * | | | trans | -69.7 | 86.4 | -176.7 | -174.7 | 0 | 0 | 0 | 0 | 105.5 | R369 S373 | R369-V371 VanDerWaalsContact C-N 3.31Å; R369-V371 WeakPolarHBondContact O-CG2 3.45Å; R369-V371 PolarHBondContact O-N 2.88Å; V371-S373 PolarHBondContact O-N 3.01Å |
| 372 | R | 36.3 | Very low | 39.8 | Very low | 228 Ų | 228 | 151 Ų | 151 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | trans | -56.3 | 119.5 | 163.8 | -87.2 | -178 | 169.5 | -111.3 | 0.8 | 105.4 | T370 G374 | T370-R372 PolarHBondContact O-N 2.91Å; R372-G374 PolarHBondContact O-N 3Å |
| 373 | S | 41.9 | Very low | 39.5 | Very low | 117 Ų | 117 | 150.5 Ų | 150.5 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | -64.4 | 67.6 | 174.4 | 57.7 | 0 | 0 | 0 | 0 | 109.7 | V371 | V371-S373 PolarHBondContact O-N 3.01Š|
| 374 | G | 34.8 | Very low | 39.3 | Very low | 47 Ų | 47 | 148.7 Ų | 148.7 | 49% | 0.485 | 78% | 0.776 | S | S | . | * | | | trans | -84.2 | 113 | 166.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | R372 F376 | R372-G374 PolarHBondContact O-N 3Å; G374-F376 WeakPolarHBondContact O-CD2 3.48Å; G374-F376 PolarHBondContact O-N 3.2Å |
| 375 | T | 39.4 | Very low | 39.3 | Very low | 136 Ų | 136 | 147 Ų | 147 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | | | trans | -53.7 | 105.2 | 173.7 | -39 | 0 | 0 | 0 | 0 | 108.6 | I377 | T375-I377 PolarHBondContact O-N 2.84Å; T375-I377 VanDerWaalsContact O-N 3.13Å |
| 376 | F | 42.8 | Very low | 39 | Very low | 174 Ų | 174 | 145.7 Ų | 145.7 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | | | trans | -64.5 | 117.4 | 172.6 | -68.1 | -83.9 | 0 | 0 | 0 | 107.2 | G374 T378 | G374-F376 WeakPolarHBondContact O-CD2 3.48Å; G374-F376 PolarHBondContact O-N 3.2Å; F376-T378 HydrophobicContact CB-CG2 4.45Å; F376-T378 PolarHBondContact O-N 2.85Å |
| 377 | I | 38.5 | Very low | 38.7 | Very low | 155 Ų | 155 | 149.2 Ų | 149.2 | 80% | 0.795 | 79% | 0.785 | S | S | * | * | | | trans | -70.7 | 84.2 | 167.4 | -54.3 | 174.3 | 0 | 0 | 0 | 105.8 | T375 T379 | T375-I377 PolarHBondContact O-N 2.84Å; T375-I377 VanDerWaalsContact O-N 3.13Å; I377-T379 HydrophobicContact CG2-CG2 4.22Å; I377-T379 PolarHBondContact O-N 3.18Å |
| 378 | T | 40 | Very low | 38.6 | Very low | 112 Ų | 112 | 154.9 Ų | 154.9 | 69% | 0.687 | 79% | 0.794 | S | S | * | * | | | trans | -68 | 99.2 | 169.5 | 46 | 0 | 0 | 0 | 0 | 106.9 | F376 T380 | F376-T378 HydrophobicContact CB-CG2 4.45Å; F376-T378 PolarHBondContact O-N 2.85Å; T378-T380 PolarHBondContact O-N 2.97Å |
| 379 | T | 36.6 | Very low | 38.6 | Very low | 119 Ų | 119 | 151.3 Ų | 151.3 | 73% | 0.73 | 79% | 0.786 | S | S | * | * | | | trans | -73.6 | 82.2 | 166.5 | 51.9 | 0 | 0 | 0 | 0 | 107.7 | I377 K381 | I377-T379 HydrophobicContact CG2-CG2 4.22Å; I377-T379 PolarHBondContact O-N 3.18Å; T379-K381 PolarHBondContact O-N 2.88Å |
| 380 | T | 36.7 | Very low | 38.8 | Very low | 124 Ų | 124 | 147.9 Ų | 147.9 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | | | trans | -63.8 | 93.9 | 161.4 | 10.5 | 0 | 0 | 0 | 0 | 106.5 | T378 K382 | T378-T380 PolarHBondContact O-N 2.97Å; T380-K382 VanDerWaalsContact C-N 3.32Å; T380-K382 PolarHBondContact O-N 2.7Å |
| 381 | K | 36.9 | Very low | 39 | Very low | 181 Ų | 181 | 147.2 Ų | 147.2 | 79% | 0.787 | 78% | 0.781 | S | S | * | * | | | trans | -56.3 | 104.9 | 162 | -75.6 | -176.6 | 177.9 | 178.2 | 0 | 105.8 | T379 L383 | T379-K381 PolarHBondContact O-N 2.88Å; K381-L383 VanDerWaalsContact C-N 3.35Å; K381-L383 PolarHBondContact O-N 2.84Å |
| 382 | K | 35.2 | Very low | 38.7 | Very low | 200 Ų | 200 | 145.3 Ų | 145.3 | 87% | 0.87 | 77% | 0.773 | S | S | * | * | | | trans | -54.6 | 103.6 | 167.2 | -81.9 | -177.1 | 173.5 | -178.6 | 0 | 106.2 | T380 | T380-K382 VanDerWaalsContact C-N 3.32Å; T380-K382 PolarHBondContact O-N 2.7Å |
| 383 | L | 38.4 | Very low | 38.7 | Very low | 155 Ų | 155 | 141.9 Ų | 141.9 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | | | trans | -61.8 | 128 | 165.2 | -85.7 | 96.6 | 0 | 0 | 0 | 106.5 | K381 N385 | K381-L383 VanDerWaalsContact C-N 3.35Å; K381-L383 PolarHBondContact O-N 2.84Å; L383-N385 PolarHBondContact O-N 2.61Å; L383-N385 VanDerWaalsContact O-N 3.12Å |
| 384 | P | 39.6 | Very low | 38.4 | Very low | 119 Ų | 119 | 144.4 Ų | 144.4 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | trans | -67.7 | 112.1 | -175.1 | 26 | -32 | 0 | 0 | 0 | 109.1 | G386 | P384-G386 PolarHBondContact O-N 2.96Š|
| 385 | N | 36.6 | Very low | 38.7 | Very low | 178 Ų | 178 | 147.4 Ų | 147.4 | 95% | 0.952 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 25.5 | 29.9 | 156.2 | -75.2 | 16.6 | 0 | 0 | 0 | 120 | L383 | L383-N385 PolarHBondContact O-N 2.61Å; L383-N385 VanDerWaalsContact O-N 3.12Å |
| 386 | G | 36 | Very low | 38.6 | Very low | 67 Ų | 67 | 146.2 Ų | 146.2 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | | | trans | -96.9 | 111.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | P384 R388 | P384-G386 PolarHBondContact O-N 2.96Å; G386-R388 PolarHBondContact O-N 2.87Å |
| 387 | R | 38 | Very low | 38.3 | Very low | 241 Ų | 241 | 141.1 Ų | 141.1 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | | | trans | -11.5 | 120.2 | 172.2 | -70.4 | 176.7 | 175.4 | -179.2 | -3.2 | 113.5 | P389 | R387-P389 WeakPolarHBondContact O-CD 3.41Å; R387-P389 VanDerWaalsContact O-N 3.13Å |
| 388 | R | 38 | Very low | 38.1 | Very low | 234 Ų | 234 | 140.3 Ų | 140.3 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | | | trans | -43.9 | 123 | 161.3 | -91.2 | -178.4 | 171.7 | -179.7 | -3.2 | 107.1 | G386 D390 | G386-R388 PolarHBondContact O-N 2.87Å; R388-D390 PolarHBondContact O-N 3.13Å; R388-D390 VanDerWaalsContact O-N 3.11Å |
| 389 | P | 43.4 | Very low | 38 | Very low | 104 Ų | 104 | 139.7 Ų | 139.7 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | | | trans | -59.9 | 120.1 | 161.3 | 24 | -27.2 | 0 | 0 | 0 | 105.4 | R387 V391 | R387-P389 WeakPolarHBondContact O-CD 3.41Å; R387-P389 VanDerWaalsContact O-N 3.13Å; P389-V391 HydrophobicContact CB-CG2 4.23Å; P389-V391 HydrophobicContact CG-CG2 4.21Å; P389-V391 PolarHBondContact O-N 2.81Å |
| 390 | D | 41.7 | Very low | 37.9 | Very low | 162 Ų | 162 | 142.5 Ų | 142.5 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | | | trans | -56.9 | 89.1 | 156.6 | -91 | -38 | 0 | 0 | 0 | 105.3 | R388 S392 | R388-D390 PolarHBondContact O-N 3.13Å; R388-D390 VanDerWaalsContact O-N 3.11Å; D390-S392 PolarHBondContact O-N 3.08Å |
| 391 | V | 45.6 | Very low | 38 | Very low | 114 Ų | 114 | 149.5 Ų | 149.5 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | | | trans | -75.7 | 86.8 | 163.6 | -174.4 | 0 | 0 | 0 | 0 | 103.1 | P389 N393 | P389-V391 HydrophobicContact CB-CG2 4.23Å; P389-V391 HydrophobicContact CG-CG2 4.21Å; P389-V391 PolarHBondContact O-N 2.81Å; V391-N393 PolarHBondContact O-N 2.77Å; V391-N393 VanDerWaalsContact O-N 3.08Å |
| 392 | S | 36 | Very low | 38 | Very low | 85 Ų | 85 | 148 Ų | 148 | 59% | 0.594 | 81% | 0.807 | S | S | * | * | | | trans | -48.6 | 116.5 | 163.1 | 43.6 | 0 | 0 | 0 | 0 | 106.6 | D390 E394 | D390-S392 PolarHBondContact O-N 3.08Å; S392-E394 PolarHBondContact O-N 3.06Å |
| 393 | N | 37.3 | Very low | 38.2 | Very low | 156 Ų | 156 | 145.2 Ų | 145.2 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | | | trans | -63.9 | 75.8 | 163.9 | -78.1 | -30.3 | 0 | 0 | 0 | 107.1 | V391 S395 | V391-N393 PolarHBondContact O-N 2.77Å; V391-N393 VanDerWaalsContact O-N 3.08Å; N393-S395 PolarHBondContact O-N 2.91Å |
| 394 | E | 34.8 | Very low | 38.2 | Very low | 169 Ų | 169 | 144.7 Ų | 144.7 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | | | trans | -73.3 | 86.1 | 156.2 | -81.3 | -175.1 | 171.6 | 0 | 0 | 105.9 | S392 S396 | S392-E394 PolarHBondContact O-N 3.06Å; E394-S396 PolarHBondContact O-N 3.14Å |
| 395 | S | 40.4 | Very low | 38.1 | Very low | 110 Ų | 110 | 146.2 Ų | 146.2 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | | | trans | -56.3 | 90.1 | 153.5 | 50.1 | 0 | 0 | 0 | 0 | 106.9 | N393 G397 | N393-S395 PolarHBondContact O-N 2.91Å; S395-G397 PolarHBondContact O-N 3.25Å |
| 396 | S | 38.9 | Very low | 38.2 | Very low | 111 Ų | 111 | 144.2 Ų | 144.2 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | -67.9 | 80.4 | 165.1 | 40.6 | 0 | 0 | 0 | 0 | 107.6 | E394 V398 | E394-S396 PolarHBondContact O-N 3.14Å; S396-V398 PolarHBondContact O-N 2.78Å |
| 397 | G | 34.8 | Very low | 38.3 | Very low | 68 Ų | 68 | 149.3 Ų | 149.3 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | | | trans | -58.8 | 115.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | S395 S399 | S395-G397 PolarHBondContact O-N 3.25Å; G397-S399 PolarHBondContact O-N 2.8Å; G397-S399 VanDerWaalsContact O-N 3.14Å |
| 398 | V | 36.3 | Very low | 38.3 | Very low | 138 Ų | 138 | 142.8 Ų | 142.8 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | | | trans | -69.7 | 105.3 | 165 | -178.3 | 0 | 0 | 0 | 0 | 105.4 | S396 E400 | S396-V398 PolarHBondContact O-N 2.78Å; V398-E400 PolarHBondContact O-N 2.99Å |
| 399 | S | 37.5 | Very low | 38.4 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | | | trans | -69.4 | 113.5 | 176.1 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | G397 F401 | G397-S399 PolarHBondContact O-N 2.8Å; G397-S399 VanDerWaalsContact O-N 3.14Å; S399-F401 PolarHBondContact O-N 2.85Å |
| 400 | E | 34.5 | Very low | 37.9 | Very low | 178 Ų | 178 | 138.4 Ų | 138.4 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | | | trans | -82.1 | 82 | 163.3 | -71.6 | -177.9 | 165.7 | 0 | 0 | 108.6 | V398 | V398-E400 PolarHBondContact O-N 2.99Š|
| 401 | F | 37.7 | Very low | 37.6 | Very low | 272 Ų | 272 | 136.3 Ų | 136.3 | 100% | 1.193 | 79% | 0.791 | S | S | * | * | | | trans | -156.4 | 0 | 157.3 | -87.3 | -66.4 | 0 | 0 | 0 | 110.7 | S399 | S399-F401 PolarHBondContact O-N 2.85Š|