| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 49.2 | Very low | 60.3 | Low | 241 Ų | 241 | 131.5 Ų | 131.5 | 100% | 1.187 | 72% | 0.722 | S | S | * | * | 0 | 98.9 | 0 | -68.2 | 179.2 | 179.3 | 0 | 0 | 107.5 | |||||
| 2 | Q | 53.8 | Low | 61.1 | Low | 205 Ų | 205 | 132.3 Ų | 132.3 | 96% | 0.958 | 72% | 0.717 | S | S | * | * | trans | 175.9 | 79.6 | 167.7 | -101.1 | 171.2 | 39.9 | 0 | 0 | 107.2 | ||||
| 3 | A | 54.2 | Low | 61.8 | Low | 84 Ų | 84 | 125.3 Ų | 125.3 | 69% | 0.694 | 69% | 0.694 | S | S | * | * | trans | -146.4 | 4.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 4 | E | 57 | Low | 62.4 | Low | 180 Ų | 180 | 124.7 Ų | 124.7 | 84% | 0.841 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -102.5 | -1.1 | -172.4 | -66.3 | -171.9 | 163.6 | 0 | 0 | 114.2 | ||
| 5 | A | 58.8 | Low | 62.5 | Low | 82 Ų | 82 | 125.9 Ų | 125.9 | 68% | 0.678 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -86.6 | -14.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S8 | A5-S8 PolarHBondContact O-OG 2.98Å |
| 6 | T | 58.9 | Low | 62.7 | Low | 96 Ų | 96 | 124.3 Ų | 124.3 | 59% | 0.589 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -88.8 | -29.5 | -176.6 | 50.9 | 0 | 0 | 0 | 0 | 113.1 | L10 | T6-L10 PolarHBondContact O-N 2.83Å |
| 7 | D | 61.8 | Low | 62.4 | Low | 115 Ų | 115 | 125.1 Ų | 125.1 | 62% | 0.615 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -75.5 | -29.1 | -177.7 | -72.5 | -6.5 | 0 | 0 | 0 | 112.2 | R11 | D7-R11 WeakPolarHBondContact O-CB 3.44Å; D7-R11 PolarHBondContact O-N 3.08Å; D7-R11 VanDerWaalsContact O-N 3.1Å |
| 8 | S | 63.9 | Low | 62.1 | Low | 74 Ų | 74 | 125.8 Ų | 125.8 | 52% | 0.517 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -67.7 | -39.8 | 176.3 | 52.4 | 0 | 0 | 0 | 0 | 112.5 | A5 R11 E12 | A5-S8 PolarHBondContact O-OG 2.98Å; S8-R11 PolarHBondContact O-N 3.13Å; S8-E12 PolarHBondContact O-N 3.25Å; S8-E12 VanDerWaalsContact O-N 3.12Å |
| 9 | A | 69.5 | Low | 61.6 | Low | 64 Ų | 64 | 125.5 Ų | 125.5 | 53% | 0.529 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -72 | -36 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G13 | A9-G13 PolarHBondContact O-N 3Å |
| 10 | L | 67.2 | Low | 61.1 | Low | 123 Ų | 123 | 128.9 Ų | 128.9 | 64% | 0.644 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -66.9 | -38.6 | 173.3 | -92.4 | 158.7 | 0 | 0 | 0 | 111.8 | T6 G13 I14 | T6-L10 PolarHBondContact O-N 2.83Å; L10-G13 PolarHBondContact O-N 2.59Å; L10-I14 PolarHBondContact O-N 2.9Å |
| 11 | R | 69.6 | Low | 60.6 | Low | 182 Ų | 182 | 130.3 Ų | 130.3 | 69% | 0.687 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -68.9 | -36.8 | 179.1 | -168.3 | 175.1 | 178 | -156.9 | -3 | 113.3 | D7 S8 I14 E15 | D7-R11 WeakPolarHBondContact O-CB 3.44Å; D7-R11 PolarHBondContact O-N 3.08Å; D7-R11 VanDerWaalsContact O-N 3.1Å; S8-R11 PolarHBondContact O-N 3.13Å; R11-I14 HydrophobicContact CG-CD1 4.37Å; R11-I14 WeakPolarHBondContact O-CG1 3.25Å; R11-E15 PolarHBondContact O-N 2.72Å |
| 12 | E | 69.7 | Low | 60.3 | Low | 142 Ų | 142 | 124.2 Ų | 124.2 | 66% | 0.664 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -68.5 | -36.1 | 176.4 | -167.7 | 176.7 | -176.2 | 0 | 0 | 111.9 | S8 S16 | S8-E12 PolarHBondContact O-N 3.25Å; S8-E12 VanDerWaalsContact O-N 3.12Å; E12-S16 PolarHBondContact O-N 3.07Å; E12-S16 PolarHBondContact O-OG 3.39Å |
| 13 | G | 69.6 | Low | 60 | Low | 41 Ų | 41 | 123 Ų | 123 | 42% | 0.423 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -66.1 | -36.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | A9 L10 | A9-G13 PolarHBondContact O-N 3Å; L10-G13 PolarHBondContact O-N 2.59Å |
| 14 | I | 70.4 | Confident | 59.3 | Low | 117 Ų | 117 | 128.4 Ų | 128.4 | 60% | 0.6 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -74.9 | -34.5 | 177.1 | 57 | 174.5 | 0 | 0 | 0 | 112.7 | L10 R11 S16 L17 | L10-I14 PolarHBondContact O-N 2.9Å; R11-I14 HydrophobicContact CG-CD1 4.37Å; R11-I14 WeakPolarHBondContact O-CG1 3.25Å; I14-S16 PolarHBondContact O-N 3.25Å; I14-L17 PolarHBondContact O-N 3.04Å |
| 15 | E | 64.2 | Low | 59 | Low | 142 Ų | 142 | 125 Ų | 125 | 66% | 0.664 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -69.2 | -26 | 177.1 | -169.1 | 173 | -174.3 | 0 | 0 | 111.9 | R11 L17 D18 | R11-E15 PolarHBondContact O-N 2.72Å; E15-L17 PolarHBondContact O-N 3.23Å; E15-D18 PolarHBondContact O-N 2.74Å |
| 16 | S | 66.3 | Low | 57.7 | Low | 100 Ų | 100 | 126 Ų | 126 | 70% | 0.699 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -15.8 | 176.8 | -56.6 | 0 | 0 | 0 | 0 | 114 | E12 I14 | E12-S16 PolarHBondContact O-N 3.07Å; E12-S16 PolarHBondContact O-OG 3.39Å; I14-S16 PolarHBondContact O-N 3.25Å |
| 17 | L | 57.5 | Low | 56.4 | Low | 139 Ų | 139 | 125.5 Ų | 125.5 | 73% | 0.728 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -2.3 | 178.9 | -73.6 | 171.2 | 0 | 0 | 0 | 113.2 | I14 E15 V19 | I14-L17 PolarHBondContact O-N 3.04Å; E15-L17 PolarHBondContact O-N 3.23Å; L17-V19 PolarHBondContact O-N 3Å |
| 18 | D | 56.8 | Low | 55.1 | Low | 137 Ų | 137 | 126.9 Ų | 126.9 | 73% | 0.733 | 71% | 0.706 | S | S | * | * | trans | -73.1 | 96 | 178.7 | -130 | 10.2 | 0 | 0 | 0 | 109.1 | E15 K20 | E15-D18 PolarHBondContact O-N 2.74Å; D18-K20 PolarHBondContact O-N 2.9Å; D18-K20 VanDerWaalsContact O-N 3.15Å | ||
| 19 | V | 52.7 | Low | 53.7 | Low | 120 Ų | 120 | 133.3 Ų | 133.3 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | trans | -67.8 | 108 | 174.6 | 176.2 | 0 | 0 | 0 | 0 | 107.1 | L17 D21 | L17-V19 PolarHBondContact O-N 3Å; V19-D21 PolarHBondContact O-N 3.43Å | ||
| 20 | K | 51.7 | Low | 52.1 | Low | 194 Ų | 194 | 138.2 Ų | 138.2 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | trans | -60.3 | 108.4 | 171.8 | -70.7 | 179.7 | 177.8 | 173.6 | 0 | 109.1 | D18 S22 | D18-K20 PolarHBondContact O-N 2.9Å; D18-K20 VanDerWaalsContact O-N 3.15Å; K20-S22 VanDerWaalsContact C-N 3.31Å; K20-S22 PolarHBondContact O-N 3.28Å | ||
| 21 | D | 49.6 | Very low | 50.5 | Low | 159 Ų | 159 | 139.4 Ų | 139.4 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | trans | -61.2 | 93.6 | 165.8 | -76.9 | -38.1 | 0 | 0 | 0 | 109.1 | V19 E23 | V19-D21 PolarHBondContact O-N 3.43Å; D21-E23 VanDerWaalsContact C-N 3.31Å; D21-E23 PolarHBondContact O-N 3.42Å; D21-E23 VanDerWaalsContact O-N 3.13Å | ||
| 22 | S | 43.8 | Very low | 48.9 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | trans | -81.4 | 84.8 | 167.6 | 61.2 | 0 | 0 | 0 | 0 | 108.7 | K20 K24 | K20-S22 VanDerWaalsContact C-N 3.31Å; K20-S22 PolarHBondContact O-N 3.28Å; S22-K24 PolarHBondContact O-N 3.15Å | ||
| 23 | E | 47.1 | Very low | 47 | Very low | 180 Ų | 180 | 136.5 Ų | 136.5 | 84% | 0.841 | 75% | 0.748 | S | S | * | * | trans | -60.3 | 124.1 | 159.8 | -169.8 | 179.8 | 171.7 | 0 | 0 | 109.3 | D21 | D21-E23 VanDerWaalsContact C-N 3.31Å; D21-E23 PolarHBondContact O-N 3.42Å; D21-E23 VanDerWaalsContact O-N 3.13Å | ||
| 24 | K | 39.5 | Very low | 45.1 | Very low | 197 Ų | 197 | 141.5 Ų | 141.5 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | trans | -140.9 | 114 | 166.3 | -159.2 | 174.9 | -173.1 | 177.2 | 0 | 109.2 | S22 | S22-K24 PolarHBondContact O-N 3.15Š| ||
| 25 | P | 50.2 | Low | 43.3 | Very low | 109 Ų | 109 | 140 Ų | 140 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | trans | -93.9 | 144.4 | 176.9 | 35.1 | -30.5 | 0 | 0 | 0 | 111.3 | ||||
| 26 | A | 31.3 | Very low | 42 | Very low | 102 Ų | 102 | 142 Ų | 142 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | 152.6 | 145.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 27 | A | 32.4 | Very low | 40.7 | Very low | 85 Ų | 85 | 145.7 Ų | 145.7 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | cis | -174.1 | 140.5 | -12.5 | 0 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 28 | D | 33.8 | Very low | 39.5 | Very low | 144 Ų | 144 | 146.8 Ų | 146.8 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | 21.6 | 129.8 | 155.4 | -54.1 | -29.7 | 0 | 0 | 0 | 120.6 | ||||
| 29 | K | 36 | Very low | 38.1 | Very low | 209 Ų | 209 | 147.9 Ų | 147.9 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | -163.2 | 142.5 | 111.4 | -102.3 | 172 | -171.9 | -174.2 | 0 | 113.1 | |||||
| 30 | E | 34.8 | Very low | 37.2 | Very low | 168 Ų | 168 | 147.6 Ų | 147.6 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -87.2 | -172.2 | -165.4 | -55.6 | 179.1 | 154 | 0 | 0 | 113.6 | ||||
| 31 | D | 33.7 | Very low | 36.4 | Very low | 148 Ų | 148 | 146.6 Ų | 146.6 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | 104.1 | 121.4 | 169 | -58.2 | -23.5 | 0 | 0 | 0 | 114.5 | ||||
| 32 | E | 35.8 | Very low | 35.5 | Very low | 168 Ų | 168 | 145.7 Ų | 145.7 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | cis | -168 | 142.7 | -0.9 | -152.2 | 177.8 | 167.5 | 0 | 0 | 109 | ||||
| 33 | S | 28.9 | Very low | 34.8 | Very low | 95 Ų | 95 | 146.5 Ų | 146.5 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | trans | 44 | 124.3 | 146.7 | 67.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 34 | T | 30.6 | Very low | 33.9 | Very low | 146 Ų | 146 | 142.1 Ų | 142.1 | 90% | 0.896 | 78% | 0.782 | S | S | * | * | -159.2 | 134 | 105 | -56.6 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 35 | A | 33.6 | Very low | 33.5 | Very low | 84 Ų | 84 | 136.9 Ų | 136.9 | 69% | 0.694 | 78% | 0.775 | S | S | * | * | trans | -94.4 | 151.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 36 | E | 35.9 | Very low | 32.3 | Very low | 186 Ų | 186 | 137.5 Ų | 137.5 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | trans | -178.1 | 93.8 | 141.6 | -103.1 | 178.5 | 179.3 | 0 | 0 | 107.4 | ||||
| 37 | Q | 39.4 | Very low | 32.5 | Very low | 176 Ų | 176 | 140.4 Ų | 140.4 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | 54.7 | 98.2 | 102.6 | -63.8 | -170.9 | -12.6 | 0 | 0 | 113.7 | |||||
| 38 | H | 31.3 | Very low | 32.7 | Very low | 163 Ų | 163 | 143.1 Ų | 143.1 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | 54.3 | 119.9 | 101.6 | -81.5 | -80 | 0 | 0 | 0 | 113.2 | |||||
| 39 | D | 28.8 | Very low | 32.8 | Very low | 160 Ų | 160 | 144.5 Ų | 144.5 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | -153.8 | 150.8 | 82.7 | -78.7 | -36.4 | 0 | 0 | 0 | 115.3 | |||||
| 40 | T | 33.4 | Very low | 32.4 | Very low | 113 Ų | 113 | 140.7 Ų | 140.7 | 69% | 0.693 | 76% | 0.763 | S | S | * | * | trans | -113.8 | 162.6 | 170.9 | 30.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 41 | E | 33.7 | Very low | 32.4 | Very low | 174 Ų | 174 | 138.4 Ų | 138.4 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | 88.1 | 141.6 | 165.9 | -55.9 | -161.8 | 157.3 | 0 | 0 | 115.6 | ||||
| 42 | M | 31.7 | Very low | 32.3 | Very low | 139 Ų | 139 | 135.6 Ų | 135.6 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | cis | -178.7 | 163 | 4.3 | -109.9 | -73.5 | -159.7 | 0 | 0 | 107.6 | ||||
| 43 | T | 28.2 | Very low | 32.3 | Very low | 131 Ų | 131 | 132 Ų | 132 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | 68.5 | 155 | 146.4 | 60.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 44 | A | 28.8 | Very low | 32.8 | Very low | 87 Ų | 87 | 135.8 Ų | 135.8 | 72% | 0.719 | 77% | 0.766 | S | S | * | * | cis | 178.9 | 156.4 | -19.8 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 45 | A | 30.2 | Very low | 32.8 | Very low | 87 Ų | 87 | 133.8 Ų | 133.8 | 72% | 0.719 | 75% | 0.75 | S | S | * | * | trans | 65.7 | 115.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 46 | T | 27 | Very low | 33.1 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | 61.2 | 112.6 | 78.1 | -23.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 47 | E | 34.4 | Very low | 32.9 | Very low | 162 Ų | 162 | 133.6 Ų | 133.6 | 76% | 0.757 | 75% | 0.753 | S | S | * | * | 145.7 | 149.6 | 106.1 | -88.5 | -167.6 | -166.5 | 0 | 0 | 104.7 | |||||
| 48 | E | 36.2 | Very low | 32.6 | Very low | 142 Ų | 142 | 132.7 Ų | 132.7 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | cis | -171.2 | 153.5 | 11.9 | -92.9 | -91.6 | 172.5 | 0 | 0 | 104.4 | ||||
| 49 | E | 35.5 | Very low | 32.8 | Very low | 174 Ų | 174 | 132.7 Ų | 132.7 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | 127.5 | 153.2 | 103.6 | -116.9 | -174.1 | -163.4 | 0 | 0 | 104.5 | |||||
| 50 | D | 28.9 | Very low | 33 | Very low | 128 Ų | 128 | 131 Ų | 131 | 68% | 0.684 | 75% | 0.745 | S | S | * | * | cis | 177 | 147.2 | -23.8 | 176.4 | 20.4 | 0 | 0 | 0 | 103.4 | ||||
| 51 | S | 34.2 | Very low | 32.8 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | trans | -177.7 | 104 | 142.9 | 30.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 52 | A | 31.7 | Very low | 32.4 | Very low | 89 Ų | 89 | 130.4 Ų | 130.4 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | trans | -54.6 | 158.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 53 | A | 35.6 | Very low | 32.4 | Very low | 91 Ų | 91 | 128 Ų | 128 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | 158.4 | 111.9 | 117.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 54 | K | 40.3 | Very low | 32.5 | Very low | 175 Ų | 175 | 125.8 Ų | 125.8 | 76% | 0.761 | 75% | 0.745 | S | S | * | * | 64.5 | 136.9 | 95.7 | -85.3 | -176.7 | 144.6 | -88.2 | 0 | 113.7 | |||||
| 55 | D | 30.9 | Very low | 32.7 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 56% | 0.561 | 75% | 0.751 | S | S | * | * | cis | -165.5 | 148.1 | 26.3 | -115.2 | -11.8 | 0 | 0 | 0 | 109.8 | ||||
| 56 | E | 38.1 | Very low | 32.6 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | 43.3 | 130.5 | 134.6 | -51.4 | -63.1 | 163.3 | 0 | 0 | 122.6 | ||||
| 57 | A | 32.9 | Very low | 32.8 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 85% | 0.851 | 75% | 0.752 | S | S | * | * | -179.3 | 126.9 | 112.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 58 | D | 33.2 | Very low | 32.6 | Very low | 156 Ų | 156 | 134.2 Ų | 134.2 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | trans | -82.2 | 149.9 | 173.8 | -134 | -21.4 | 0 | 0 | 0 | 111.9 | ||||
| 59 | E | 34.7 | Very low | 32.3 | Very low | 164 Ų | 164 | 134.8 Ų | 134.8 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | trans | 152.7 | 117.1 | 133.1 | -93.9 | -159.5 | 112.7 | 0 | 0 | 114.6 | ||||
| 60 | N | 33 | Very low | 32 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 67% | 0.668 | 75% | 0.75 | S | S | * | * | 57.4 | 139.6 | 127.9 | -71.9 | -31.1 | 0 | 0 | 0 | 119.7 | |||||
| 61 | T | 29.3 | Very low | 32 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 71% | 0.712 | 75% | 0.747 | S | S | * | * | cis | -177.7 | 132.4 | 18.3 | 22.6 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 62 | D | 26.8 | Very low | 31.8 | Very low | 157 Ų | 157 | 135.5 Ų | 135.5 | 84% | 0.84 | 75% | 0.747 | S | S | * | * | 89.7 | 154.3 | 104.6 | -156.7 | 16.5 | 0 | 0 | 0 | 115.7 | |||||
| 63 | A | 31.4 | Very low | 32.2 | Very low | 90 Ų | 90 | 136.1 Ų | 136.1 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | trans | 99.1 | 91.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 64 | A | 30.2 | Very low | 32.1 | Very low | 84 Ų | 84 | 141.4 Ų | 141.4 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | 100.1 | 137.7 | 53.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 65 | E | 32.2 | Very low | 31.7 | Very low | 181 Ų | 181 | 137.1 Ų | 137.1 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | trans | 84.6 | 111.9 | 161.3 | -45 | -167.4 | 169.2 | 0 | 0 | 116.5 | ||||
| 66 | E | 28.6 | Very low | 31.8 | Very low | 182 Ų | 182 | 139.6 Ų | 139.6 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | 48.9 | 133.7 | 67.5 | -101.7 | 178.9 | 176 | 0 | 0 | 110.9 | |||||
| 67 | E | 30.8 | Very low | 31.3 | Very low | 137 Ų | 137 | 136.8 Ų | 136.8 | 64% | 0.64 | 76% | 0.76 | S | S | * | * | cis | -173.3 | 142.9 | 25.8 | -158.1 | -171.9 | 169 | 0 | 0 | 107.3 | ||||
| 68 | I | 29.4 | Very low | 31.2 | Very low | 136 Ų | 136 | 139.7 Ų | 139.7 | 70% | 0.697 | 76% | 0.759 | S | S | * | * | trans | 22.5 | 147.4 | 138.3 | -44.2 | 169.1 | 0 | 0 | 0 | 120.5 | ||||
| 69 | Q | 30.9 | Very low | 31 | Very low | 154 Ų | 154 | 135.7 Ų | 135.7 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | trans | 125.3 | 146.3 | 142.7 | -67.5 | -178.1 | 51 | 0 | 0 | 113.1 | ||||
| 70 | K | 29 | Very low | 30.7 | Very low | 181 Ų | 181 | 135.5 Ų | 135.5 | 79% | 0.787 | 76% | 0.759 | S | S | * | * | cis | -178.9 | 148.8 | -4.8 | 165.1 | 179.4 | 177.3 | -172.1 | 0 | 107.4 | ||||
| 71 | A | 28.5 | Very low | 30.7 | Very low | 74 Ų | 74 | 132.4 Ų | 132.4 | 61% | 0.612 | 75% | 0.75 | S | S | * | * | trans | 0.5 | 147.3 | 158 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 72 | E | 30.6 | Very low | 30.9 | Very low | 182 Ų | 182 | 135.3 Ų | 135.3 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | trans | 89.4 | 112.1 | 132.1 | -81.1 | 168.2 | 176.5 | 0 | 0 | 123.2 | ||||
| 73 | S | 39.9 | Very low | 31.3 | Very low | 102 Ų | 102 | 136 Ų | 136 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | 7.6 | 140.8 | 138 | 57.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 74 | Q | 32.9 | Very low | 31.6 | Very low | 203 Ų | 203 | 134.6 Ų | 134.6 | 95% | 0.949 | 75% | 0.754 | S | S | * | * | -166 | 156.9 | 122.3 | -116.1 | -179.3 | -28.4 | 0 | 0 | 114 | |||||
| 75 | A | 33.1 | Very low | 32.1 | Very low | 84 Ų | 84 | 140.5 Ų | 140.5 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | trans | -95.5 | 174.3 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 76 | D | 32 | Very low | 32.3 | Very low | 157 Ų | 157 | 141.7 Ų | 141.7 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | trans | 139.4 | 141.9 | 144.8 | -86.5 | -0.9 | 0 | 0 | 0 | 113.1 | ||||
| 77 | T | 28.1 | Very low | 33.1 | Very low | 105 Ų | 105 | 137.5 Ų | 137.5 | 64% | 0.644 | 77% | 0.766 | S | S | * | * | cis | -173.1 | 157.5 | -14.3 | -47.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 78 | I | 31.1 | Very low | 33.9 | Very low | 164 Ų | 164 | 135.5 Ų | 135.5 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | trans | 94.1 | 122.5 | 148.2 | -48.2 | -178.5 | 0 | 0 | 0 | 122.5 | ||||
| 79 | G | 28.2 | Very low | 34.8 | Very low | 72 Ų | 72 | 134.8 Ų | 134.8 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | trans | 111.4 | 139.4 | 142.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 80 | D | 28.5 | Very low | 35.9 | Very low | 160 Ų | 160 | 132.6 Ų | 132.6 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | cis | -174.7 | 159.2 | -4.2 | 177.7 | 36.8 | 0 | 0 | 0 | 105.7 | ||||
| 81 | A | 33.6 | Very low | 36.9 | Very low | 59 Ų | 59 | 126.6 Ų | 126.6 | 49% | 0.488 | 77% | 0.772 | S | S | . | * | trans | 66.8 | 120.1 | 155.4 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 82 | E | 32.7 | Very low | 38.1 | Very low | 177 Ų | 177 | 128.9 Ų | 128.9 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | 75.9 | 110.8 | 123.6 | 78.3 | -163.7 | 143.8 | 0 | 0 | 123.2 | |||||
| 83 | D | 34.8 | Very low | 39.3 | Very low | 172 Ų | 172 | 125.6 Ų | 125.6 | 92% | 0.92 | 76% | 0.762 | S | S | * | * | 75.9 | 130.9 | 127.1 | -143.2 | 20.4 | 0 | 0 | 0 | 121.1 | |||||
| 84 | G | 39.1 | Very low | 40.4 | Very low | 60 Ų | 60 | 128.4 Ų | 128.4 | 62% | 0.619 | 77% | 0.77 | S | S | * | * | trans | 94 | 86.9 | 156.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 85 | K | 39.3 | Very low | 42.4 | Very low | 209 Ų | 209 | 129.5 Ų | 129.5 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | trans | 175.9 | 89.6 | 132.8 | -98.8 | 163.9 | -179.8 | -174.9 | 0 | 111 | ||||
| 86 | Q | 37.8 | Very low | 43.9 | Very low | 206 Ų | 206 | 132.3 Ų | 132.3 | 96% | 0.963 | 76% | 0.764 | S | S | * | * | trans | -116.2 | 89.2 | 152.1 | -71.5 | -173 | 7 | 0 | 0 | 107.4 | ||||
| 87 | A | 45.8 | Very low | 45.8 | Very low | 93 Ų | 93 | 132.2 Ų | 132.2 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | -146 | 120.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 88 | A | 47.5 | Very low | 47.7 | Very low | 96 Ų | 96 | 132.8 Ų | 132.8 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 79.2 | 76.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 89 | V | 48.2 | Very low | 49.2 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | -143.2 | 83 | 123 | 179.4 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 90 | A | 53.5 | Low | 51 | Low | 108 Ų | 108 | 135.3 Ų | 135.3 | 89% | 0.893 | 76% | 0.759 | S | S | * | * | trans | -111.9 | 89.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 91 | G | 50.3 | Low | 52.3 | Low | 55 Ų | 55 | 135.7 Ų | 135.7 | 57% | 0.567 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 175 | -30.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 92 | D | 52.4 | Low | 53.4 | Low | 122 Ų | 122 | 141.1 Ų | 141.1 | 65% | 0.652 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -116 | -6.4 | -171.9 | -64.4 | -47.4 | 0 | 0 | 0 | 114.5 | D94 | D92-D94 VanDerWaalsContact C-N 3.35Š|
| 93 | D | 56.2 | Low | 54.7 | Low | 113 Ų | 113 | 140.4 Ų | 140.4 | 60% | 0.604 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -78.5 | -18.2 | -178.9 | -149.4 | 59 | 0 | 0 | 0 | 112.9 | W95 E96 | D93-W95 PolarHBondContact O-N 2.68Å; D93-W95 VanDerWaalsContact O-N 3.15Å; D93-E96 PolarHBondContact O-N 2.95Å |
| 94 | D | 63.8 | Low | 55.9 | Low | 162 Ų | 162 | 140.2 Ų | 140.2 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -70.3 | -7.2 | -179.6 | -99.2 | -1.2 | 0 | 0 | 0 | 113.2 | D92 | D92-D94 VanDerWaalsContact C-N 3.35Š|
| 95 | W | 74.1 | Confident | 57.1 | Low | 226 Ų | 226 | 143.2 Ų | 143.2 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -112.3 | -4 | 176.4 | -66.4 | 101.2 | 0 | 0 | 0 | 113.7 | D93 L97 | D93-W95 PolarHBondContact O-N 2.68Å; D93-W95 VanDerWaalsContact O-N 3.15Å; W95-L97 PolarHBondContact O-N 3.43Å |
| 96 | E | 64.9 | Low | 58.6 | Low | 142 Ų | 142 | 138.5 Ų | 138.5 | 66% | 0.664 | 75% | 0.751 | S | S | * | * | trans | -79.1 | 88.9 | 175.6 | -65.2 | -166.1 | -174 | 0 | 0 | 109 | D93 P98 | D93-E96 PolarHBondContact O-N 2.95Å; E96-P98 WeakPolarHBondContact O-CD 3.29Å | ||
| 97 | L | 72.1 | Confident | 60.1 | Low | 156 Ų | 156 | 132.4 Ų | 132.4 | 82% | 0.817 | 73% | 0.73 | S | S | * | * | trans | -66.9 | 120.2 | 168.9 | -70.8 | 168.5 | 0 | 0 | 0 | 107.8 | W95 Y99 | W95-L97 PolarHBondContact O-N 3.43Å; L97-Y99 PolarHBondContact O-N 3.2Å | ||
| 98 | P | 68.2 | Low | 61.4 | Low | 117 Ų | 117 | 136.7 Ų | 136.7 | 76% | 0.76 | 73% | 0.731 | S | S | * | * | trans | -58.1 | 128.7 | 170.8 | 23.4 | -30.8 | 0 | 0 | 0 | 107.5 | E96 S100 | E96-P98 WeakPolarHBondContact O-CD 3.29Å; P98-S100 PolarHBondContact O-N 2.81Å | ||
| 99 | Y | 61.5 | Low | 62.8 | Low | 201 Ų | 201 | 137.1 Ų | 137.1 | 79% | 0.788 | 72% | 0.72 | S | S | * | * | trans | -50.1 | 114 | 172 | -68.1 | -86.3 | 0 | 0 | 0 | 107.2 | L97 D101 | L97-Y99 PolarHBondContact O-N 3.2Å; Y99-D101 PolarHBondContact O-N 2.85Å; Y99-D101 VanDerWaalsContact O-N 3.13Å | ||
| 100 | S | 67.4 | Low | 64.5 | Low | 87 Ų | 87 | 140 Ų | 140 | 61% | 0.608 | 72% | 0.718 | S | S | * | * | trans | -57.1 | 123.4 | 171.3 | -170.9 | 0 | 0 | 0 | 0 | 105.7 | P98 E102 E103 | P98-S100 PolarHBondContact O-N 2.81Å; S100-E102 PolarHBondContact O-N 3.02Å; S100-E103 PolarHBondContact O-N 3.18Å | ||
| 101 | D | 55.3 | Low | 65.9 | Low | 168 Ų | 168 | 139.1 Ų | 139.1 | 90% | 0.898 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | 48.2 | -172.3 | -169 | 24.6 | 0 | 0 | 0 | 112.9 | Y99 | Y99-D101 PolarHBondContact O-N 2.85Å; Y99-D101 VanDerWaalsContact O-N 3.13Å |
| 102 | E | 57.6 | Low | 67.6 | Low | 173 Ų | 173 | 139.8 Ų | 139.8 | 81% | 0.808 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.9 | -7.2 | -179.2 | -151.8 | 166.4 | -155.8 | 0 | 0 | 112 | S100 | S100-E102 PolarHBondContact O-N 3.02Š|
| 103 | E | 59.8 | Low | 69.5 | Low | 163 Ų | 163 | 136.6 Ų | 136.6 | 76% | 0.762 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -106 | -1.9 | -178 | -129.3 | 179.3 | -167.1 | 0 | 0 | 114.6 | S100 E105 | S100-E103 PolarHBondContact O-N 3.18Å; E103-E105 PolarHBondContact O-N 3.44Å |
| 104 | M | 59.1 | Low | 71.1 | Confident | 168 Ų | 168 | 136 Ų | 136 | 83% | 0.828 | 68% | 0.684 | S | S | * | * | trans | -82.1 | 53.4 | 165.3 | -73.6 | -103 | -75.7 | 0 | 0 | 109.7 | D106 | M104-D106 PolarHBondContact O-N 3.07Å; M104-D106 VanDerWaalsContact O-N 3.14Å | ||
| 105 | E | 63.8 | Low | 72.5 | Confident | 123 Ų | 123 | 133.4 Ų | 133.4 | 58% | 0.575 | 67% | 0.674 | S | S | * | * | trans | -61.7 | 119.2 | 169.9 | -166.4 | 107.8 | -145.6 | 0 | 0 | 107 | E103 N109 | E103-E105 PolarHBondContact O-N 3.44Å; E105-N109 HydrophobicContact CG-CB 3.64Å; E105-N109 PolarHBondContact OE1-ND2 3.44Å | ||
| 106 | D | 70.5 | Confident | 73.4 | Confident | 109 Ų | 109 | 125.9 Ų | 125.9 | 58% | 0.583 | 65% | 0.649 | S | S | * | * | trans | -45.5 | 134.9 | -176.6 | -82.2 | -37.5 | 0 | 0 | 0 | 109.6 | M104 K108 N109 | M104-D106 PolarHBondContact O-N 3.07Å; M104-D106 VanDerWaalsContact O-N 3.14Å; D106-K108 HydrophobicContact CB-CB 4.36Å; D106-K108 PolarHBondContact O-N 3.23Å; D106-N109 WeakPolarHBondContact O-CB 3.16Å; D106-N109 PolarHBondContact O-N 2.92Å | ||
| 107 | P | 70.6 | Confident | 74.6 | Confident | 79 Ų | 79 | 121.7 Ų | 121.7 | 51% | 0.513 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -52.5 | -23.1 | 178.1 | -28.7 | 34.9 | 0 | 0 | 0 | 113.5 | N109 W110 M111 | P107-N109 VanDerWaalsContact C-N 3.3Å; P107-N109 PolarHBondContact O-N 3.39Å; P107-W110 HydrophobicContact CB-CZ2 4.31Å; P107-M111 HydrophobicContact CB-SD 4.48Å; P107-M111 WeakPolarHBondContact O-CB 3.37Å; P107-M111 WeakPolarHBondContact O-CG 3.41Å; P107-M111 PolarHBondContact O-N 3.2Å |
| 108 | K | 71.8 | Confident | 75.7 | Confident | 182 Ų | 182 | 121.2 Ų | 121.2 | 79% | 0.791 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.6 | -21 | 176.8 | -153.4 | 169.2 | -176.1 | 179.7 | 0 | 114.5 | D106 | D106-K108 HydrophobicContact CB-CB 4.36Å; D106-K108 PolarHBondContact O-N 3.23Å |
| 109 | N | 78.8 | Confident | 76.9 | Confident | 105 Ų | 105 | 121.3 Ų | 121.3 | 56% | 0.561 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -76.5 | -33.8 | 179.2 | -78.3 | 40.9 | 0 | 0 | 0 | 112.1 | E105 D106 P107 | E105-N109 HydrophobicContact CG-CB 3.64Å; E105-N109 PolarHBondContact OE1-ND2 3.44Å; D106-N109 WeakPolarHBondContact O-CB 3.16Å; D106-N109 PolarHBondContact O-N 2.92Å; P107-N109 VanDerWaalsContact C-N 3.3Å; P107-N109 PolarHBondContact O-N 3.39Å |
| 110 | W | 81.9 | Confident | 78.3 | Confident | 181 Ų | 181 | 113.9 Ų | 113.9 | 69% | 0.686 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -105.2 | -19 | 179.5 | 63.6 | -97.4 | 0 | 0 | 0 | 113.6 | P107 | P107-W110 HydrophobicContact CB-CZ2 4.31Å |
| 111 | M | 83.2 | Confident | 79.5 | Confident | 90 Ų | 90 | 117.6 Ų | 117.6 | 44% | 0.443 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -87.5 | 123 | 173.3 | -67.7 | -172.2 | 69.8 | 0 | 0 | 111.4 | P107 | P107-M111 HydrophobicContact CB-SD 4.48Å; P107-M111 WeakPolarHBondContact O-CB 3.37Å; P107-M111 WeakPolarHBondContact O-CG 3.41Å; P107-M111 PolarHBondContact O-N 3.2Å |
| 112 | P | 86.4 | Confident | 81.4 | Confident | 68 Ų | 68 | 114.9 Ų | 114.9 | 44% | 0.442 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -63.7 | 158.1 | 169.1 | 27.6 | -32.9 | 0 | 0 | 0 | 110.7 | I117 | P112-I117 HydrophobicContact CG-CD1 4.23Å; P112-I117 HydrophobicContact CG-CG1 3.87Å |
| 113 | A | 91.4 | Very high | 83.1 | Confident | 56 Ų | 56 | 107.6 Ų | 107.6 | 46% | 0.463 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 138.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | T115 E116 I117 | A113-T115 PolarHBondContact O-N 2.86Å; A113-E116 WeakPolarHBondContact O-CA 3.48Å; A113-E116 WeakPolarHBondContact O-CB 3.45Å; A113-E116 PolarHBondContact O-N 3.13Å; A113-I117 PolarHBondContact O-N 3.03Å |
| 114 | P | 91.8 | Very high | 84.6 | Confident | 99 Ų | 99 | 104.7 Ų | 104.7 | 64% | 0.643 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -56.1 | -27.7 | -177.7 | -28 | 34.5 | 0 | 0 | 0 | 114.7 | K118 | P114-K118 PolarHBondContact O-N 3.44Å |
| 115 | T | 92.9 | Very high | 86.2 | Confident | 109 Ų | 109 | 101 Ų | 101 | 67% | 0.669 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.9 | -38.2 | 174.3 | 51.1 | 0 | 0 | 0 | 0 | 112.3 | A113 K118 R119 | A113-T115 PolarHBondContact O-N 2.86Å; T115-K118 PolarHBondContact O-N 2.85Å; T115-R119 PolarHBondContact O-N 2.92Å |
| 116 | E | 91.4 | Very high | 87.6 | Confident | 68 Ų | 68 | 102 Ų | 102 | 32% | 0.318 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.7 | -39.6 | 177.3 | -174 | 60.3 | -168.1 | 0 | 0 | 110.4 | A113 K118 R119 L120 | A113-E116 WeakPolarHBondContact O-CA 3.48Å; A113-E116 WeakPolarHBondContact O-CB 3.45Å; A113-E116 PolarHBondContact O-N 3.13Å; E116-K118 VanDerWaalsContact C-N 3.33Å; E116-K118 PolarHBondContact O-N 3.2Å; E116-R119 WeakPolarHBondContact O-CB 3.38Å; E116-R119 PolarHBondContact O-N 3.12Å; E116-R119 IonicContact OE1-CZ 2.87Å; E116-R119 IonicContact OE1-NE 3.3Å; E116-R119 PolarHBondContact OE1-NE 3.04Å; E116-R119 IonicContact OE1-NH2 3.43Å; E116-R119 PolarHBondContact OE1-NH2 3.14Å; E116-R119 IonicContact OE2-CZ 3.61Å; E116-R119 IonicContact OE2-NE 3.5Å; E116-R119 PolarHBondContact OE2-NE 2.83Å; E116-L120 HydrophobicContact CG-CD1 4.29Å; E116-L120 HydrophobicContact CG-CG 4.43Å; E116-L120 VanDerWaalsContact O-CG 3.25Å; E116-L120 WeakPolarHBondContact O-CG 3.25Å; E116-L120 PolarHBondContact O-N 3.01Å |
| 117 | I | 91.4 | Very high | 88.5 | Confident | 54 Ų | 54 | 99.9 Ų | 99.9 | 28% | 0.277 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -55.3 | -50.4 | 173.9 | -60.4 | 176.6 | 0 | 0 | 0 | 110.2 | P112 A113 R119 L120 Y121 | P112-I117 HydrophobicContact CG-CD1 4.23Å; P112-I117 HydrophobicContact CG-CG1 3.87Å; A113-I117 PolarHBondContact O-N 3.03Å; I117-R119 PolarHBondContact O-N 3.41Å; I117-L120 PolarHBondContact O-N 3.14Å; I117-Y121 HydrophobicContact CG2-CD2 3.72Å; I117-Y121 HydrophobicContact CG2-CE2 3.53Å; I117-Y121 WeakPolarHBondContact O-CD2 3.21Å; I117-Y121 PolarHBondContact O-N 3.19Å |
| 118 | K | 93.9 | Very high | 89.2 | Confident | 146 Ų | 146 | 101.4 Ų | 101.4 | 64% | 0.635 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.5 | -46.1 | 176.8 | -70.2 | -179.1 | -179.8 | -174.4 | 0 | 112.4 | P114 T115 E116 L120 Y121 E122 | P114-K118 PolarHBondContact O-N 3.44Å; T115-K118 PolarHBondContact O-N 2.85Å; E116-K118 VanDerWaalsContact C-N 3.33Å; E116-K118 PolarHBondContact O-N 3.2Å; K118-L120 VanDerWaalsContact C-N 3.32Å; K118-L120 PolarHBondContact O-N 2.91Å; K118-Y121 PolarHBondContact O-N 3.43Å; K118-E122 WeakPolarHBondContact O-CG 3.42Å; K118-E122 PolarHBondContact O-N 2.64Å |
| 119 | R | 93.9 | Very high | 89.8 | Confident | 119 Ų | 119 | 101.3 Ų | 101.3 | 45% | 0.449 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -57 | -45.2 | 177.2 | -169.9 | -171 | 79.7 | 87.1 | 1.1 | 111.6 | T115 E116 I117 E122 V123 | T115-R119 PolarHBondContact O-N 2.92Å; E116-R119 WeakPolarHBondContact O-CB 3.38Å; E116-R119 PolarHBondContact O-N 3.12Å; E116-R119 IonicContact OE1-CZ 2.87Å; E116-R119 IonicContact OE1-NE 3.3Å; E116-R119 PolarHBondContact OE1-NE 3.04Å; E116-R119 IonicContact OE1-NH2 3.43Å; E116-R119 PolarHBondContact OE1-NH2 3.14Å; E116-R119 IonicContact OE2-CZ 3.61Å; E116-R119 IonicContact OE2-NE 3.5Å; E116-R119 PolarHBondContact OE2-NE 2.83Å; I117-R119 PolarHBondContact O-N 3.41Å; R119-E122 PolarHBondContact O-N 3.39Å; R119-V123 VanDerWaalsContact O-CG2 3.29Å; R119-V123 WeakPolarHBondContact O-CG2 3.45Å; R119-V123 PolarHBondContact O-N 3.1Å |
| 120 | L | 91.8 | Very high | 90.1 | Very high | 45 Ų | 45 | 99.5 Ų | 99.5 | 24% | 0.236 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 178.4 | -68.2 | 173.8 | 0 | 0 | 0 | 111.6 | E116 I117 K118 E122 V123 L124 L130 | E116-L120 HydrophobicContact CG-CD1 4.29Å; E116-L120 HydrophobicContact CG-CG 4.43Å; E116-L120 VanDerWaalsContact O-CG 3.25Å; E116-L120 WeakPolarHBondContact O-CG 3.25Å; E116-L120 PolarHBondContact O-N 3.01Å; I117-L120 PolarHBondContact O-N 3.14Å; K118-L120 VanDerWaalsContact C-N 3.32Å; K118-L120 PolarHBondContact O-N 2.91Å; L120-E122 VanDerWaalsContact C-N 3.34Å; L120-E122 PolarHBondContact O-N 3.29Å; L120-V123 PolarHBondContact O-N 3.4Å; L120-L124 WeakPolarHBondContact O-CG 3.09Å; L120-L124 PolarHBondContact O-N 3.49Å; L120-L130 HydrophobicContact CD2-CD1 3.64Å; L120-L130 HydrophobicContact CD2-CD2 3.45Å; L120-L130 VanDerWaalsContact CD2-CD2 3.45Å; L120-L130 HydrophobicContact CD2-CG 4.17Å |
| 121 | Y | 93.1 | Very high | 90.2 | Very high | 165 Ų | 165 | 99.4 Ų | 99.4 | 65% | 0.647 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.9 | -37 | 175.2 | -81 | -74.1 | 0 | 0 | 0 | 112.7 | I117 K118 L124 A125 | I117-Y121 HydrophobicContact CG2-CD2 3.72Å; I117-Y121 HydrophobicContact CG2-CE2 3.53Å; I117-Y121 WeakPolarHBondContact O-CD2 3.21Å; I117-Y121 PolarHBondContact O-N 3.19Å; K118-Y121 PolarHBondContact O-N 3.43Å; Y121-L124 PolarHBondContact O-N 3.4Å; Y121-A125 WeakPolarHBondContact O-CB 3.38Å; Y121-A125 PolarHBondContact O-N 3.45Å |
| 122 | E | 94.4 | Very high | 90.3 | Very high | 111 Ų | 111 | 102 Ų | 102 | 52% | 0.519 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65 | -39.1 | 174.5 | -73.6 | 174.1 | -164.2 | 0 | 0 | 112.5 | K118 R119 L120 A125 K126 | K118-E122 WeakPolarHBondContact O-CG 3.42Å; K118-E122 PolarHBondContact O-N 2.64Å; R119-E122 PolarHBondContact O-N 3.39Å; L120-E122 VanDerWaalsContact C-N 3.34Å; L120-E122 PolarHBondContact O-N 3.29Å; E122-A125 PolarHBondContact O-N 3.47Å; E122-K126 WeakPolarHBondContact O-CD 3.3Å; E122-K126 VanDerWaalsContact O-CG 3.24Å; E122-K126 WeakPolarHBondContact O-CG 3.34Å; E122-K126 PolarHBondContact O-N 2.95Å; E122-K126 VanDerWaalsContact O-N 3.09Å |
| 123 | V | 92.7 | Very high | 90.1 | Very high | 19 Ų | 19 | 106.7 Ų | 106.7 | 12% | 0.115 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -65.3 | -45.1 | 175.5 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | R119 L120 A125 K126 G127 E128 L130 | R119-V123 VanDerWaalsContact O-CG2 3.29Å; R119-V123 WeakPolarHBondContact O-CG2 3.45Å; R119-V123 PolarHBondContact O-N 3.1Å; L120-V123 PolarHBondContact O-N 3.4Å; V123-A125 PolarHBondContact O-N 3.28Å; V123-K126 PolarHBondContact O-N 3.43Å; V123-G127 PolarHBondContact O-N 3.48Å; V123-E128 HydrophobicContact CG1-CB 3.67Å; V123-E128 PolarHBondContact O-N 3.2Å; V123-L130 HydrophobicContact CB-CD1 4.32Å; V123-L130 HydrophobicContact CG1-CD1 3.74Å |
| 124 | L | 91.3 | Very high | 89.8 | Confident | 102 Ų | 102 | 111.7 Ų | 111.7 | 53% | 0.534 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.4 | -39.1 | 175.4 | -68.4 | 174.7 | 0 | 0 | 0 | 112.4 | L120 Y121 K126 G127 | L120-L124 WeakPolarHBondContact O-CG 3.09Å; L120-L124 PolarHBondContact O-N 3.49Å; Y121-L124 PolarHBondContact O-N 3.4Å; L124-K126 PolarHBondContact O-N 3.09Å; L124-G127 PolarHBondContact O-N 3.22Å |
| 125 | A | 93.2 | Very high | 89.6 | Confident | 90 Ų | 90 | 112.7 Ų | 112.7 | 74% | 0.744 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.4 | -28.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y121 E122 V123 G127 | Y121-A125 WeakPolarHBondContact O-CB 3.38Å; Y121-A125 PolarHBondContact O-N 3.45Å; E122-A125 PolarHBondContact O-N 3.47Å; V123-A125 PolarHBondContact O-N 3.28Å; A125-G127 PolarHBondContact O-N 3.37Å |
| 126 | K | 93.6 | Very high | 89.2 | Confident | 144 Ų | 144 | 111.6 Ų | 111.6 | 63% | 0.626 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -6.9 | 172.2 | -70 | 165.6 | -172.6 | 171.4 | 0 | 113.1 | E122 V123 L124 E128 | E122-K126 WeakPolarHBondContact O-CD 3.3Å; E122-K126 VanDerWaalsContact O-CG 3.24Å; E122-K126 WeakPolarHBondContact O-CG 3.34Å; E122-K126 PolarHBondContact O-N 2.95Å; E122-K126 VanDerWaalsContact O-N 3.09Å; V123-K126 PolarHBondContact O-N 3.43Å; L124-K126 PolarHBondContact O-N 3.09Å; K126-E128 VanDerWaalsContact C-N 3.31Å; K126-E128 HydrophobicContact CB-CG 4.38Å |
| 127 | G | 89.1 | Confident | 88.9 | Confident | 66 Ų | 66 | 115.4 Ų | 115.4 | 68% | 0.68 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.3 | 13.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | V123 L124 A125 | V123-G127 PolarHBondContact O-N 3.48Å; L124-G127 PolarHBondContact O-N 3.22Å; A125-G127 PolarHBondContact O-N 3.37Å |
| 128 | E | 85.8 | Confident | 88.8 | Confident | 111 Ų | 111 | 118.7 Ų | 118.7 | 52% | 0.519 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -79.7 | 128.3 | 176.7 | -70.1 | 174.7 | -170.9 | 0 | 0 | 109.7 | V123 K126 L130 | V123-E128 HydrophobicContact CG1-CB 3.67Å; V123-E128 PolarHBondContact O-N 3.2Å; K126-E128 VanDerWaalsContact C-N 3.31Å; K126-E128 HydrophobicContact CB-CG 4.38Å; E128-L130 PolarHBondContact O-N 3.04Å |
| 129 | M | 83.2 | Confident | 88.4 | Confident | 179 Ų | 179 | 122.6 Ų | 122.6 | 88% | 0.882 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 125.6 | 175.4 | -77 | 179.1 | 48.1 | 0 | 0 | 110.2 | E131 | M129-E131 PolarHBondContact O-N 2.93Š|
| 130 | L | 85.3 | Confident | 88.1 | Confident | 67 Ų | 67 | 128 Ų | 128 | 35% | 0.351 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -77.5 | 118 | 178.3 | -146.6 | 86.4 | 0 | 0 | 0 | 110.5 | L120 V123 E128 L132 | L120-L130 HydrophobicContact CD2-CD1 3.64Å; L120-L130 HydrophobicContact CD2-CD2 3.45Å; L120-L130 VanDerWaalsContact CD2-CD2 3.45Å; L120-L130 HydrophobicContact CD2-CG 4.17Å; V123-L130 HydrophobicContact CB-CD1 4.32Å; V123-L130 HydrophobicContact CG1-CD1 3.74Å; E128-L130 PolarHBondContact O-N 3.04Å; L130-L132 HydrophobicContact CD2-CD2 4.18Å; L130-L132 PolarHBondContact O-N 3.21Å |
| 131 | E | 84.4 | Confident | 87.8 | Confident | 180 Ų | 180 | 131.1 Ų | 131.1 | 84% | 0.841 | 67% | 0.673 | S | S | * | * | trans | -75.3 | 112.4 | 173.8 | -66.4 | -176.1 | 174.9 | 0 | 0 | 110 | M129 | M129-E131 PolarHBondContact O-N 2.93Š| ||
| 132 | L | 85.2 | Confident | 87.4 | Confident | 145 Ų | 145 | 128.9 Ų | 128.9 | 76% | 0.759 | 68% | 0.678 | S | S | * | * | trans | -86.4 | 124.6 | 177.4 | -62.9 | 177.6 | 0 | 0 | 0 | 110 | L130 F134 | L130-L132 HydrophobicContact CD2-CD2 4.18Å; L130-L132 PolarHBondContact O-N 3.21Å; L132-F134 PolarHBondContact O-N 2.92Å | ||
| 133 | N | 81.8 | Confident | 87 | Confident | 165 Ų | 165 | 129.9 Ų | 129.9 | 88% | 0.882 | 69% | 0.692 | S | S | * | * | trans | -77.1 | 75.9 | 172 | -69.4 | -65 | 0 | 0 | 0 | 110 | ||||
| 134 | F | 85.9 | Confident | 86.6 | Confident | 162 Ų | 162 | 134.4 Ų | 134.4 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | trans | -89.3 | 111.9 | 170.2 | -174.7 | -105.7 | 0 | 0 | 0 | 109.6 | L132 P136 | L132-F134 PolarHBondContact O-N 2.92Å; F134-P136 HydrophobicContact CD1-CB 4.46Å; F134-P136 HydrophobicContact CD1-CG 3.87Å; F134-P136 HydrophobicContact CE1-CB 3.85Å; F134-P136 HydrophobicContact CE1-CG 3.72Å; F134-P136 WeakPolarHBondContact O-CD 3.38Å | ||
| 135 | V | 87.6 | Confident | 86 | Confident | 120 Ų | 120 | 138.2 Ų | 138.2 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | trans | -97.1 | 105.6 | 168.7 | -179.1 | 0 | 0 | 0 | 0 | 106.8 | L137 | V135-L137 PolarHBondContact O-N 3.49Å; V135-L137 VanDerWaalsContact O-N 3.14Å | ||
| 136 | P | 83.6 | Confident | 85.1 | Confident | 86 Ų | 86 | 143.5 Ų | 143.5 | 56% | 0.558 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -58 | 124 | 177.4 | -18.8 | 29.4 | 0 | 0 | 0 | 109.1 | F134 | F134-P136 HydrophobicContact CD1-CB 4.46Å; F134-P136 HydrophobicContact CD1-CG 3.87Å; F134-P136 HydrophobicContact CE1-CB 3.85Å; F134-P136 HydrophobicContact CE1-CG 3.72Å; F134-P136 WeakPolarHBondContact O-CD 3.38Å |
| 137 | L | 85.9 | Confident | 83.8 | Confident | 148 Ų | 148 | 142.1 Ų | 142.1 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 146.7 | 173.1 | -69.6 | 173.3 | 0 | 0 | 0 | 109.6 | V135 R139 | V135-L137 PolarHBondContact O-N 3.49Å; V135-L137 VanDerWaalsContact O-N 3.14Å; L137-R139 PolarHBondContact O-N 3.42Å |
| 138 | P | 88.9 | Confident | 82.6 | Confident | 122 Ų | 122 | 143.1 Ų | 143.1 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 117.6 | 178.6 | 23 | -32.8 | 0 | 0 | 0 | 109.2 | ||
| 139 | R | 86.8 | Confident | 81.4 | Confident | 228 Ų | 228 | 142 Ų | 142 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 149.5 | 173.2 | -65.1 | -175.2 | 179.5 | 176.7 | 0.2 | 108.4 | L137 | L137-R139 PolarHBondContact O-N 3.42Š|
| 140 | R | 86.5 | Confident | 80.4 | Confident | 232 Ų | 232 | 139.7 Ų | 139.7 | 88% | 0.875 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 143.9 | 166.5 | -66.1 | -178.2 | -179.2 | 178.2 | 1.1 | 108.3 | ||
| 141 | P | 84.8 | Confident | 78.8 | Confident | 112 Ų | 112 | 145.8 Ų | 145.8 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 147.3 | 171.1 | 25.8 | -33.8 | 0 | 0 | 0 | 108.9 | T143 | P141-T143 PolarHBondContact O-N 2.95Š|
| 142 | P | 85.6 | Confident | 77.5 | Confident | 118 Ų | 118 | 143.1 Ų | 143.1 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 139.6 | 175.1 | 23.5 | -33.2 | 0 | 0 | 0 | 109.3 | P144 | P142-P144 WeakPolarHBondContact O-CD 3.34Å; P142-P144 VanDerWaalsContact O-N 3.16Å |
| 143 | T | 85.1 | Confident | 76.2 | Confident | 131 Ų | 131 | 139.9 Ų | 139.9 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 124.5 | 173.4 | -54.1 | 0 | 0 | 0 | 0 | 107.8 | P141 E145 | P141-T143 PolarHBondContact O-N 2.95Å; T143-E145 PolarHBondContact O-N 3.4Å |
| 144 | P | 84.6 | Confident | 75.1 | Confident | 115 Ų | 115 | 138.8 Ų | 138.8 | 75% | 0.747 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 138.8 | 178.5 | -23.8 | 31.7 | 0 | 0 | 0 | 110.1 | P142 R146 | P142-P144 WeakPolarHBondContact O-CD 3.34Å; P142-P144 VanDerWaalsContact O-N 3.16Å; P144-R146 PolarHBondContact O-N 3.16Å |
| 145 | E | 79 | Confident | 73.6 | Confident | 182 Ų | 182 | 136.5 Ų | 136.5 | 85% | 0.85 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 134.9 | 172.9 | -65.8 | -170.2 | 168.9 | 0 | 0 | 109.3 | T143 T147 | T143-E145 PolarHBondContact O-N 3.4Å; E145-T147 PolarHBondContact O-N 3.28Å |
| 146 | R | 73.6 | Confident | 72.2 | Confident | 201 Ų | 201 | 132.7 Ų | 132.7 | 76% | 0.758 | 69% | 0.687 | S | S | * | * | trans | -61.2 | 101.1 | 178.9 | -177.3 | -179.9 | 178.7 | -128.5 | -6.2 | 108 | P144 P148 E156 | P144-R146 PolarHBondContact O-N 3.16Å; R146-P148 WeakPolarHBondContact O-CD 3.44Å; R146-E156 IonicContact CZ-OE1 2.98Å; R146-E156 IonicContact NH1-OE1 2.82Å; R146-E156 PolarHBondContact NH1-OE1 3.38Å; R146-E156 VanDerWaalsContact NH1-OE1 3.08Å; R146-E156 IonicContact NH2-OE1 3.86Å | ||
| 147 | T | 66.6 | Low | 71.1 | Confident | 115 Ų | 115 | 133.5 Ų | 133.5 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -62 | 120.7 | 174.1 | 54.1 | 0 | 0 | 0 | 0 | 108.5 | E145 T149 | E145-T147 PolarHBondContact O-N 3.28Å; T147-T149 PolarHBondContact O-N 2.84Å |
| 148 | P | 65.3 | Low | 70.1 | Confident | 87 Ų | 87 | 129.1 Ų | 129.1 | 57% | 0.565 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 122.5 | 174.7 | 25 | -31.5 | 0 | 0 | 0 | 108.5 | R146 | R146-P148 WeakPolarHBondContact O-CD 3.44Š|
| 149 | T | 59.3 | Low | 69.1 | Low | 88 Ų | 88 | 128.5 Ų | 128.5 | 54% | 0.54 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -67.1 | 133.9 | 175.3 | 43.2 | 0 | 0 | 0 | 0 | 109.6 | T147 E151 | T147-T149 PolarHBondContact O-N 2.84Å; T149-E151 PolarHBondContact O-N 3.29Å |
| 150 | P | 63.5 | Low | 68.1 | Low | 130 Ų | 130 | 123 Ų | 123 | 84% | 0.844 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 1.8 | -167.7 | 25.2 | -33.8 | 0 | 0 | 0 | 116.6 | ||
| 151 | E | 51.6 | Low | 67.3 | Low | 194 Ų | 194 | 118.2 Ų | 118.2 | 91% | 0.907 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | 11 | -175.5 | -86.2 | -164.1 | 156.6 | 0 | 0 | 116 | T149 | T149-E151 PolarHBondContact O-N 3.29Š|
| 152 | R | 55.7 | Low | 66.5 | Low | 124 Ų | 124 | 121.4 Ų | 121.4 | 47% | 0.468 | 62% | 0.62 | S | S | . | * | trans | -146 | 40.9 | -177.8 | -158 | 179.7 | 165.8 | 76.4 | 14.8 | 114.2 | E155 E156 | R152-E155 IonicContact CZ-OE2 3.07Å; R152-E155 IonicContact NH1-OE2 2.74Å; R152-E155 IonicContact NH2-OE2 3.93Å; R152-E155 PolarHBondContact NH2-OE2 3.46Å; R152-E156 WeakPolarHBondContact O-CB 3.24Å | ||
| 153 | N | 58.2 | Low | 65.9 | Low | 78 Ų | 78 | 120.6 Ų | 120.6 | 42% | 0.417 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -80.1 | -30.4 | -168.1 | -137.5 | 28.5 | 0 | 0 | 0 | 114.8 | E157 | N153-E157 WeakPolarHBondContact O-CB 3.21Å; N153-E157 PolarHBondContact O-N 3.31Å |
| 154 | D | 58.7 | Low | 65.3 | Low | 142 Ų | 142 | 122.3 Ų | 122.3 | 76% | 0.759 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -81.8 | -33.5 | -170.8 | -53.2 | -22 | 0 | 0 | 0 | 113.2 | A158 | D154-A158 WeakPolarHBondContact O-CB 3.45Å; D154-A158 PolarHBondContact O-N 2.82Å |
| 155 | E | 54.9 | Low | 64.7 | Low | 114 Ų | 114 | 122 Ų | 122 | 53% | 0.533 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -85.2 | -37.3 | -177.7 | -145.6 | 171.2 | -136.7 | 0 | 0 | 111.3 | R152 E159 | R152-E155 IonicContact CZ-OE2 3.07Å; R152-E155 IonicContact NH1-OE2 2.74Å; R152-E155 IonicContact NH2-OE2 3.93Å; R152-E155 PolarHBondContact NH2-OE2 3.46Å; E155-E159 VanDerWaalsContact O-CB 3.3Å; E155-E159 WeakPolarHBondContact O-CB 3.33Å; E155-E159 WeakPolarHBondContact O-CG 3.04Å; E155-E159 PolarHBondContact O-N 3.46Å |
| 156 | E | 57.7 | Low | 64 | Low | 39 Ų | 39 | 117.4 Ų | 117.4 | 18% | 0.182 | 57% | 0.567 | C | S | . | * | H | α-helix | trans | -75.7 | -28.9 | 177.4 | -165.8 | 170.3 | -171.1 | 0 | 0 | 111.7 | R146 R152 R160 | R146-E156 IonicContact CZ-OE1 2.98Å; R146-E156 IonicContact NH1-OE1 2.82Å; R146-E156 PolarHBondContact NH1-OE1 3.38Å; R146-E156 VanDerWaalsContact NH1-OE1 3.08Å; R146-E156 IonicContact NH2-OE1 3.86Å; R152-E156 WeakPolarHBondContact O-CB 3.24Å; E156-R160 WeakPolarHBondContact O-CB 3.17Å; E156-R160 PolarHBondContact O-N 3.26Å |
| 157 | E | 61.2 | Low | 63.7 | Low | 104 Ų | 104 | 114.8 Ų | 114.8 | 49% | 0.486 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -74.3 | -40.8 | 173.5 | -170 | 163.1 | -138.8 | 0 | 0 | 112.2 | N153 R160 E161 | N153-E157 WeakPolarHBondContact O-CB 3.21Å; N153-E157 PolarHBondContact O-N 3.31Å; E157-R160 PolarHBondContact O-N 3.23Å; E157-E161 VanDerWaalsContact O-CB 3.3Å; E157-E161 WeakPolarHBondContact O-CB 3.36Å; E157-E161 PolarHBondContact O-N 3.01Å |
| 158 | A | 65.4 | Low | 63.7 | Low | 55 Ų | 55 | 115.3 Ų | 115.3 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65 | -38.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D154 R162 | D154-A158 WeakPolarHBondContact O-CB 3.45Å; D154-A158 PolarHBondContact O-N 2.82Å; A158-R162 WeakPolarHBondContact O-CB 3.34Å; A158-R162 PolarHBondContact O-N 2.99Å |
| 159 | E | 66.8 | Low | 63.7 | Low | 110 Ų | 110 | 121.8 Ų | 121.8 | 51% | 0.514 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.4 | -40.4 | 174.3 | -78.1 | 173.8 | 174.1 | 0 | 0 | 112 | E155 R162 E163 | E155-E159 VanDerWaalsContact O-CB 3.3Å; E155-E159 WeakPolarHBondContact O-CB 3.33Å; E155-E159 WeakPolarHBondContact O-CG 3.04Å; E155-E159 PolarHBondContact O-N 3.46Å; E159-R162 PolarHBondContact O-N 2.89Å; E159-E163 VanDerWaalsContact O-CB 3.29Å; E159-E163 WeakPolarHBondContact O-CB 3.46Å; E159-E163 PolarHBondContact O-N 3.07Å |
| 160 | R | 65.9 | Low | 64 | Low | 112 Ų | 112 | 122.8 Ų | 122.8 | 42% | 0.423 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -73.1 | -36.2 | 178.4 | -178.2 | 170.6 | 48.5 | -147.9 | -10.3 | 113 | E156 E157 E163 R164 | E156-R160 WeakPolarHBondContact O-CB 3.17Å; E156-R160 PolarHBondContact O-N 3.26Å; E157-R160 PolarHBondContact O-N 3.23Å; R160-E163 PolarHBondContact O-N 3.22Å; R160-R164 VanDerWaalsContact O-CB 3.29Å; R160-R164 WeakPolarHBondContact O-CB 3.39Å; R160-R164 PolarHBondContact O-N 3.42Å |
| 161 | E | 70.6 | Confident | 64 | Low | 131 Ų | 131 | 121.8 Ų | 121.8 | 61% | 0.612 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66 | -42.1 | 171.3 | -172.7 | -179.1 | -152.6 | 0 | 0 | 110.2 | E157 R164 L165 | E157-E161 VanDerWaalsContact O-CB 3.3Å; E157-E161 WeakPolarHBondContact O-CB 3.36Å; E157-E161 PolarHBondContact O-N 3.01Å; E161-R164 PolarHBondContact O-N 3.37Å; E161-L165 WeakPolarHBondContact O-CB 3.42Å; E161-L165 PolarHBondContact O-N 3.3Å |
| 162 | R | 68.3 | Low | 64.7 | Low | 180 Ų | 180 | 117.9 Ų | 117.9 | 68% | 0.679 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.5 | -38.1 | 175.4 | -162.8 | 175.1 | -167.2 | -84.9 | 0.8 | 112.2 | A158 E159 E166 | A158-R162 WeakPolarHBondContact O-CB 3.34Å; A158-R162 PolarHBondContact O-N 2.99Å; E159-R162 PolarHBondContact O-N 2.89Å; R162-E166 WeakPolarHBondContact O-CB 3.33Å; R162-E166 PolarHBondContact O-N 2.8Å |
| 163 | E | 71.4 | Confident | 65.1 | Low | 100 Ų | 100 | 116.6 Ų | 116.6 | 47% | 0.467 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.2 | -39.9 | 172.6 | -171.2 | -168.8 | 164.8 | 0 | 0 | 111 | E159 R160 E166 R167 | E159-E163 VanDerWaalsContact O-CB 3.29Å; E159-E163 WeakPolarHBondContact O-CB 3.46Å; E159-E163 PolarHBondContact O-N 3.07Å; R160-E163 PolarHBondContact O-N 3.22Å; E163-E166 PolarHBondContact O-N 3.39Å; E163-R167 VanDerWaalsContact O-CB 3.22Å; E163-R167 WeakPolarHBondContact O-CB 3.08Å; E163-R167 PolarHBondContact O-N 3.26Å; E163-R167 IonicContact OE1-CZ 3.19Å; E163-R167 IonicContact OE1-NH1 2.77Å; E163-R167 PolarHBondContact OE1-NH1 3.41Å |
| 164 | R | 72.2 | Confident | 65.6 | Low | 168 Ų | 168 | 117 Ų | 117 | 63% | 0.634 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67 | -46.4 | 177.1 | -171 | 177 | 175.8 | -117.7 | -16.5 | 111.7 | R160 E161 E166 R167 E168 | R160-R164 VanDerWaalsContact O-CB 3.29Å; R160-R164 WeakPolarHBondContact O-CB 3.39Å; R160-R164 PolarHBondContact O-N 3.42Å; E161-R164 PolarHBondContact O-N 3.37Å; R164-E166 VanDerWaalsContact C-N 3.28Å; R164-E166 PolarHBondContact O-N 3.27Å; R164-R167 CarbonylContact O-C 3.56Å; R164-R167 PolarHBondContact O-N 3.34Å; R164-R167 VanDerWaalsContact O-N 3.17Å; R164-E168 IonicContact CZ-OE1 3.7Å; R164-E168 VanDerWaalsContact CZ-OE1 3.3Å; R164-E168 IonicContact NE-OE1 3.9Å; R164-E168 PolarHBondContact NE-OE1 3.37Å; R164-E168 IonicContact NH2-OE1 2.65Å; R164-E168 PolarHBondContact NH2-OE1 3.15Å; R164-E168 WeakPolarHBondContact O-CB 3.5Å; R164-E168 WeakPolarHBondContact O-CG 3.33Å; R164-E168 PolarHBondContact O-N 3.23Å |
| 165 | L | 72 | Confident | 66 | Low | 107 Ų | 107 | 116 Ų | 116 | 56% | 0.56 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.6 | -34.6 | 175.5 | -126.6 | 150.5 | 0 | 0 | 0 | 111.4 | E161 R169 | E161-L165 WeakPolarHBondContact O-CB 3.42Å; E161-L165 PolarHBondContact O-N 3.3Å; L165-R169 WeakPolarHBondContact O-CB 3.41Å; L165-R169 PolarHBondContact O-N 2.96Å |
| 166 | E | 66.3 | Low | 66.1 | Low | 87 Ų | 87 | 120.2 Ų | 120.2 | 41% | 0.407 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71.8 | -34.1 | 173.6 | -173.2 | 172.4 | -168.2 | 0 | 0 | 112.2 | R162 E163 R164 R169 K170 | R162-E166 WeakPolarHBondContact O-CB 3.33Å; R162-E166 PolarHBondContact O-N 2.8Å; E163-E166 PolarHBondContact O-N 3.39Å; R164-E166 VanDerWaalsContact C-N 3.28Å; R164-E166 PolarHBondContact O-N 3.27Å; E166-R169 PolarHBondContact O-N 3Å; E166-K170 VanDerWaalsContact CD-NZ 3.28Å; E166-K170 HydrophobicContact CG-CD 3.96Å; E166-K170 VanDerWaalsContact CG-CE 3.41Å; E166-K170 HydrophobicContact CG-CG 4.47Å; E166-K170 VanDerWaalsContact O-CB 3.26Å; E166-K170 WeakPolarHBondContact O-CB 3.07Å; E166-K170 WeakPolarHBondContact O-CG 3.36Å; E166-K170 PolarHBondContact O-N 3.41Å; E166-K170 WeakPolarHBondContact OE1-CE 3.42Å; E166-K170 IonicContact OE1-NZ 3.56Å; E166-K170 PolarHBondContact OE1-NZ 2.95Å |
| 167 | R | 65.4 | Low | 66.2 | Low | 146 Ų | 146 | 127.1 Ų | 127.1 | 55% | 0.551 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -76.1 | -28 | 175.3 | -164.5 | -177.2 | -118.9 | 115.8 | -3.2 | 112.8 | E163 R164 | E163-R167 VanDerWaalsContact O-CB 3.22Å; E163-R167 WeakPolarHBondContact O-CB 3.08Å; E163-R167 PolarHBondContact O-N 3.26Å; E163-R167 IonicContact OE1-CZ 3.19Å; E163-R167 IonicContact OE1-NH1 2.77Å; E163-R167 PolarHBondContact OE1-NH1 3.41Å; R164-R167 CarbonylContact O-C 3.56Å; R164-R167 PolarHBondContact O-N 3.34Å; R164-R167 VanDerWaalsContact O-N 3.17Å |
| 168 | E | 66.7 | Low | 66.2 | Low | 126 Ų | 126 | 127.4 Ų | 127.4 | 59% | 0.589 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -78.3 | -28.2 | 171.5 | -73.4 | 176.1 | -174.2 | 0 | 0 | 112.1 | R164 | R164-E168 IonicContact CZ-OE1 3.7Å; R164-E168 VanDerWaalsContact CZ-OE1 3.3Å; R164-E168 IonicContact NE-OE1 3.9Å; R164-E168 PolarHBondContact NE-OE1 3.37Å; R164-E168 IonicContact NH2-OE1 2.65Å; R164-E168 PolarHBondContact NH2-OE1 3.15Å; R164-E168 WeakPolarHBondContact O-CB 3.5Å; R164-E168 WeakPolarHBondContact O-CG 3.33Å; R164-E168 PolarHBondContact O-N 3.23Å |
| 169 | R | 66.4 | Low | 65.8 | Low | 223 Ų | 223 | 133.5 Ų | 133.5 | 84% | 0.842 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -89.1 | -22.2 | 177.8 | -162 | 176.6 | 175.5 | -122.3 | -4.5 | 113.3 | L165 E166 | L165-R169 WeakPolarHBondContact O-CB 3.41Å; L165-R169 PolarHBondContact O-N 2.96Å; E166-R169 PolarHBondContact O-N 3Å |
| 170 | K | 65.1 | Low | 65.3 | Low | 109 Ų | 109 | 135.7 Ų | 135.7 | 47% | 0.474 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -84.2 | 140.9 | 167.1 | -71.9 | 173 | -176.5 | 173.9 | 0 | 108.3 | E166 | E166-K170 VanDerWaalsContact CD-NZ 3.28Å; E166-K170 HydrophobicContact CG-CD 3.96Å; E166-K170 VanDerWaalsContact CG-CE 3.41Å; E166-K170 HydrophobicContact CG-CG 4.47Å; E166-K170 VanDerWaalsContact O-CB 3.26Å; E166-K170 WeakPolarHBondContact O-CB 3.07Å; E166-K170 WeakPolarHBondContact O-CG 3.36Å; E166-K170 PolarHBondContact O-N 3.41Å; E166-K170 WeakPolarHBondContact OE1-CE 3.42Å; E166-K170 IonicContact OE1-NZ 3.56Å; E166-K170 PolarHBondContact OE1-NZ 2.95Å |
| 171 | P | 63.5 | Low | 64.7 | Low | 109 Ų | 109 | 138.9 Ų | 138.9 | 71% | 0.708 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 147.1 | 165.4 | 26.3 | -33.3 | 0 | 0 | 0 | 108.4 | T173 | P171-T173 PolarHBondContact O-N 3.15Š|
| 172 | P | 66.1 | Low | 63.9 | Low | 112 Ų | 112 | 141.9 Ų | 141.9 | 73% | 0.727 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -49.2 | 124.8 | 178.7 | 22.4 | -32.9 | 0 | 0 | 0 | 107.6 | P174 | P172-P174 WeakPolarHBondContact O-CD 3.4Š|
| 173 | T | 63.6 | Low | 63.3 | Low | 96 Ų | 96 | 141.7 Ų | 141.7 | 59% | 0.589 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 120.9 | 177.2 | 46.9 | 0 | 0 | 0 | 0 | 106.3 | P171 T175 | P171-T173 PolarHBondContact O-N 3.15Å; T173-T175 PolarHBondContact O-N 3.19Å |
| 174 | P | 70 | Confident | 62.4 | Low | 88 Ų | 88 | 144.6 Ų | 144.6 | 57% | 0.571 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 122.1 | 176.4 | -22.4 | 30.8 | 0 | 0 | 0 | 106.4 | P172 D178 | P172-P174 WeakPolarHBondContact O-CD 3.4Å; P174-D178 HydrophobicContact CB-CB 3.7Å |
| 175 | T | 65.8 | Low | 61.6 | Low | 120 Ų | 120 | 145.3 Ų | 145.3 | 74% | 0.736 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 148.4 | 176.9 | -34.8 | 0 | 0 | 0 | 0 | 107.5 | T173 F177 D178 | T173-T175 PolarHBondContact O-N 3.19Å; T175-F177 CarbonylContact O-C 3.33Å; T175-F177 PolarHBondContact O-N 2.85Å; T175-D178 PolarHBondContact O-N 3.34Å; T175-D178 VanDerWaalsContact O-N 3.15Å |
| 176 | E | 57.5 | Low | 60.7 | Low | 202 Ų | 202 | 145.1 Ų | 145.1 | 94% | 0.944 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -58.9 | 13.3 | -177.1 | -64.7 | 177.4 | 168.8 | 0 | 0 | 115.3 | ||
| 177 | F | 60.9 | Low | 60.1 | Low | 185 Ų | 185 | 146.8 Ų | 146.8 | 81% | 0.811 | 74% | 0.736 | S | S | * | * | trans | -114.9 | 57.3 | 163.7 | -157.9 | -95.7 | 0 | 0 | 0 | 110.4 | T175 | T175-F177 CarbonylContact O-C 3.33Å; T175-F177 PolarHBondContact O-N 2.85Å | ||
| 178 | D | 59.8 | Low | 59.5 | Low | 109 Ų | 109 | 146.1 Ų | 146.1 | 58% | 0.583 | 75% | 0.75 | S | S | * | * | trans | -142 | 109.3 | 167 | -159.9 | 11.1 | 0 | 0 | 0 | 109.8 | P174 T175 | P174-D178 HydrophobicContact CB-CB 3.7Å; T175-D178 PolarHBondContact O-N 3.34Å; T175-D178 VanDerWaalsContact O-N 3.15Å | ||
| 179 | F | 57 | Low | 59.1 | Low | 183 Ų | 183 | 149.7 Ų | 149.7 | 80% | 0.803 | 76% | 0.764 | S | S | * | * | trans | -102.6 | 79.5 | -172.3 | -90.9 | -91.9 | 0 | 0 | 0 | 109.9 | ||||
| 180 | D | 57.3 | Low | 58.9 | Low | 157 Ų | 157 | 145.4 Ų | 145.4 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | trans | -158.1 | 37.1 | 174.4 | -107.1 | -11.4 | 0 | 0 | 0 | 116.8 | ||||
| 181 | E | 52.7 | Low | 58.3 | Low | 179 Ų | 179 | 145.1 Ų | 145.1 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | trans | -128.2 | 59.9 | 179 | -155.2 | 178 | -164.1 | 0 | 0 | 115.1 | ||||
| 182 | E | 53.7 | Low | 58 | Low | 193 Ų | 193 | 147.5 Ų | 147.5 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | trans | -99.2 | 5.5 | 179.8 | -146 | -164.8 | 168.5 | 0 | 0 | 116.3 | ||||
| 183 | Q | 56.4 | Low | 57.3 | Low | 177 Ų | 177 | 150.6 Ų | 150.6 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -114 | -6.8 | -163.6 | -85.6 | -176.9 | -4.7 | 0 | 0 | 120.7 | ||
| 184 | M | 53.1 | Low | 56.9 | Low | 161 Ų | 161 | 151.7 Ų | 151.7 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -116.8 | -7.6 | -160.5 | -78.1 | -78.2 | 159.3 | 0 | 0 | 120.4 | ||
| 185 | Q | 54.6 | Low | 56.4 | Low | 182 Ų | 182 | 158.4 Ų | 158.4 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | -130.4 | 51.3 | -165.9 | -60 | -179.7 | 17.9 | 0 | 0 | 114.5 | ||||
| 186 | S | 53.8 | Low | 56.3 | Low | 104 Ų | 104 | 164.1 Ų | 164.1 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -76 | 134.2 | 159.4 | 59.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 187 | T | 53.3 | Low | 56.1 | Low | 121 Ų | 121 | 166 Ų | 166 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | 98.1 | 117.4 | 169.3 | 78.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 188 | P | 52.5 | Low | 55.4 | Low | 132 Ų | 132 | 163.2 Ų | 163.2 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | trans | -111.1 | 128 | 146.7 | 31.9 | -21.3 | 0 | 0 | 0 | 111.2 | ||||
| 189 | K | 58.6 | Low | 55 | Low | 202 Ų | 202 | 164.5 Ų | 164.5 | 88% | 0.878 | 82% | 0.823 | S | S | * | * | trans | -78.9 | 131.5 | 172.9 | -70.1 | 173.5 | -177.6 | 169.4 | 0 | 110.6 | ||||
| 190 | N | 61.2 | Low | 55 | Low | 133 Ų | 133 | 159.5 Ų | 159.5 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | trans | -57 | 141.7 | 174.8 | -171.4 | 3.2 | 0 | 0 | 0 | 113.2 | ||||
| 191 | S | 52.6 | Low | 54.7 | Low | 103 Ų | 103 | 157.9 Ų | 157.9 | 72% | 0.72 | 82% | 0.824 | S | S | * | * | trans | -160.9 | 95.3 | 152.5 | -167.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 192 | F | 58.7 | Low | 54.5 | Low | 159 Ų | 159 | 153.5 Ų | 153.5 | 70% | 0.697 | 81% | 0.813 | S | S | * | * | trans | 45.1 | 111.6 | 131.8 | -53.8 | -76.5 | 0 | 0 | 0 | 120.5 | ||||
| 193 | L | 50.2 | Low | 54.6 | Low | 176 Ų | 176 | 148.1 Ų | 148.1 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | 174 | 100.5 | 118.6 | -87.8 | 150.2 | 0 | 0 | 0 | 111.4 | R195 | L193-R195 PolarHBondContact O-N 3.09Š| |||
| 194 | S | 54.8 | Low | 54.6 | Low | 119 Ų | 119 | 150.1 Ų | 150.1 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -76.7 | 103.6 | 172.1 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | R196 | S194-R196 PolarHBondContact O-N 2.99Š| ||
| 195 | R | 59.3 | Low | 54.4 | Low | 229 Ų | 229 | 146.5 Ų | 146.5 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -83.7 | 99.8 | 172.3 | -160.3 | 169.9 | -68.7 | -128 | 1.2 | 109 | L193 R197 | L193-R195 PolarHBondContact O-N 3.09Å; R195-R197 PolarHBondContact O-N 3Å | ||
| 196 | R | 63.9 | Low | 54.4 | Low | 241 Ų | 241 | 144 Ų | 144 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -49.2 | 122.6 | 176.2 | -65.8 | 170.4 | 122.8 | -128.9 | 1.3 | 110.6 | S194 | S194-R196 PolarHBondContact O-N 2.99Š| ||
| 197 | R | 54.2 | Low | 55 | Low | 240 Ų | 240 | 144 Ų | 144 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | trans | -114.5 | 143 | 169.7 | -76.5 | -177.6 | 163.2 | 174.7 | -4.1 | 109.7 | R195 | R195-R197 PolarHBondContact O-N 3Š| ||
| 198 | T | 45.6 | Very low | 55.9 | Low | 128 Ų | 128 | 146.8 Ų | 146.8 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -67.9 | 149.1 | -174.5 | 43.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 199 | P | 51.6 | Low | 57.2 | Low | 136 Ų | 136 | 152.6 Ų | 152.6 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | 129.4 | -178.4 | 29.4 | -30.8 | 0 | 0 | 0 | 111.4 | ||
| 200 | G | 56.3 | Low | 58.1 | Low | 77 Ų | 77 | 148.2 Ų | 148.2 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 132.7 | -23.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117 | S202 | G200-S202 PolarHBondContact O-N 2.88Å; G200-S202 VanDerWaalsContact O-N 3.11Å |
| 201 | S | 50.7 | Low | 59.2 | Low | 124 Ų | 124 | 146.5 Ų | 146.5 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -89.6 | 71.9 | 178.6 | -176.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 202 | S | 50.6 | Low | 61 | Low | 86 Ų | 86 | 149.2 Ų | 149.2 | 60% | 0.601 | 79% | 0.786 | S | S | * | * | trans | -114.2 | 71.4 | 173.1 | -177.1 | 0 | 0 | 0 | 0 | 111.2 | G200 R204 | G200-S202 PolarHBondContact O-N 2.88Å; G200-S202 VanDerWaalsContact O-N 3.11Å; S202-R204 PolarHBondContact O-N 3.08Å | ||
| 203 | G | 54.7 | Low | 62.7 | Low | 81 Ų | 81 | 147.4 Ų | 147.4 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | -71.3 | 73.1 | 155.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | S205 | G203-S205 PolarHBondContact O-N 3.2Š| ||
| 204 | R | 56.6 | Low | 64.7 | Low | 219 Ų | 219 | 145.1 Ų | 145.1 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | trans | -84 | 95 | 169.1 | -76.3 | -177.4 | -173.4 | -107.2 | 1.9 | 108.3 | S202 | S202-R204 PolarHBondContact O-N 3.08Š| ||
| 205 | S | 49.9 | Very low | 66.6 | Low | 85 Ų | 85 | 145.4 Ų | 145.4 | 59% | 0.594 | 76% | 0.758 | S | S | * | * | trans | -33.6 | 142.7 | 162.1 | 49.9 | 0 | 0 | 0 | 0 | 113.3 | G203 V207 | G203-S205 PolarHBondContact O-N 3.2Å; S205-V207 PolarHBondContact O-N 2.77Å; S205-V207 WeakPolarHBondContact OG-CG2 3.3Å | ||
| 206 | S | 53.3 | Low | 68.2 | Low | 129 Ų | 129 | 137.7 Ų | 137.7 | 90% | 0.902 | 74% | 0.736 | S | S | * | * | trans | -63 | 44.8 | 169.8 | 55 | 0 | 0 | 0 | 0 | 113.8 | K208 | S206-K208 PolarHBondContact O-N 2.76Š| ||
| 207 | V | 65.8 | Low | 69.7 | Low | 104 Ų | 104 | 130.9 Ų | 130.9 | 63% | 0.63 | 72% | 0.717 | S | S | * | * | trans | -68.1 | 122.9 | 173.1 | 174.3 | 0 | 0 | 0 | 0 | 107 | S205 R209 | S205-V207 PolarHBondContact O-N 2.77Å; S205-V207 WeakPolarHBondContact OG-CG2 3.3Å; V207-R209 PolarHBondContact O-N 3.25Å | ||
| 208 | K | 72.6 | Confident | 71.5 | Confident | 180 Ų | 180 | 122.2 Ų | 122.2 | 78% | 0.783 | 69% | 0.693 | S | S | * | * | trans | -44.4 | 127.8 | 176.6 | -79.1 | 174.5 | 169.4 | 175.9 | 0 | 108.7 | S206 E210 | S206-K208 PolarHBondContact O-N 2.76Å; K208-E210 PolarHBondContact O-N 2.83Å | ||
| 209 | R | 79.3 | Confident | 73.9 | Confident | 254 Ų | 254 | 118.6 Ų | 118.6 | 96% | 0.958 | 67% | 0.669 | S | S | * | * | trans | -70.8 | 88.6 | 178.4 | -65.3 | 178.8 | -169 | 144.8 | 2.3 | 107.7 | V207 | V207-R209 PolarHBondContact O-N 3.25Š| ||
| 210 | E | 79 | Confident | 75.9 | Confident | 110 Ų | 110 | 116.9 Ų | 116.9 | 51% | 0.514 | 65% | 0.651 | S | S | . | * | trans | -79.5 | 132.6 | 172.3 | -68.1 | 170.6 | -168.9 | 0 | 0 | 109.2 | K208 R212 | K208-E210 PolarHBondContact O-N 2.83Å; E210-R212 HydrophobicContact CB-CG 4.07Å; E210-R212 PolarHBondContact O-N 3.18Å; E210-R212 IonicContact OE2-CZ 3.18Å; E210-R212 IonicContact OE2-NH1 3.06Å; E210-R212 PolarHBondContact OE2-NH1 3.07Å | ||
| 211 | A | 83.9 | Confident | 77.8 | Confident | 96 Ų | 96 | 121 Ų | 121 | 79% | 0.793 | 65% | 0.647 | S | S | * | * | trans | -77.7 | 71.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 212 | R | 91.1 | Very high | 79.9 | Confident | 160 Ų | 160 | 121.2 Ų | 121.2 | 60% | 0.604 | 63% | 0.628 | S | S | * | * | trans | -78.4 | 139.3 | 174 | -55.4 | -175.5 | 91.8 | 104.3 | -3.2 | 109.4 | E210 D214 K215 V216 | E210-R212 HydrophobicContact CB-CG 4.07Å; E210-R212 PolarHBondContact O-N 3.18Å; E210-R212 IonicContact OE2-CZ 3.18Å; E210-R212 IonicContact OE2-NH1 3.06Å; E210-R212 PolarHBondContact OE2-NH1 3.07Å; R212-D214 VanDerWaalsContact C-N 3.26Å; R212-D214 PolarHBondContact O-N 3.13Å; R212-K215 HydrophobicContact CB-CB 4.49Å; R212-K215 WeakPolarHBondContact O-CA 3.21Å; R212-K215 WeakPolarHBondContact O-CB 3.41Å; R212-K215 PolarHBondContact O-N 2.87Å; R212-V216 PolarHBondContact O-N 2.92Å | ||
| 213 | L | 92.9 | Very high | 81.9 | Confident | 121 Ų | 121 | 120.3 Ų | 120.3 | 63% | 0.634 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -52 | -44.5 | -178.4 | -178.4 | 62 | 0 | 0 | 0 | 112.1 | K215 V216 L217 | L213-K215 PolarHBondContact O-N 2.62Å; L213-V216 PolarHBondContact O-N 3.21Å; L213-V216 VanDerWaalsContact O-N 3.13Å; L213-L217 HydrophobicContact CD1-CD1 4.24Å; L213-L217 HydrophobicContact CD1-CD2 4.49Å; L213-L217 HydrophobicContact CD1-CG 4.09Å; L213-L217 HydrophobicContact CG-CD1 3.99Å; L213-L217 HydrophobicContact CG-CG 4.26Å; L213-L217 WeakPolarHBondContact O-CG 3.3Å; L213-L217 PolarHBondContact O-N 3.11Å |
| 214 | D | 92.9 | Very high | 83.8 | Confident | 128 Ų | 128 | 125.3 Ų | 125.3 | 68% | 0.684 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -57.9 | -38.2 | 176.7 | -62.3 | -24.9 | 0 | 0 | 0 | 112.9 | R212 S218 | R212-D214 VanDerWaalsContact C-N 3.26Å; R212-D214 PolarHBondContact O-N 3.13Å; D214-S218 VanDerWaalsContact O-CB 3.27Å; D214-S218 WeakPolarHBondContact O-CB 3.11Å; D214-S218 PolarHBondContact O-N 3.11Å; D214-S218 PolarHBondContact O-OG 3Å |
| 215 | K | 93.6 | Very high | 85.6 | Confident | 125 Ų | 125 | 122.4 Ų | 122.4 | 54% | 0.543 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -70.4 | -43.3 | 178.8 | -174.4 | 58 | 178.1 | 163.8 | 0 | 110.4 | R212 L213 S218 D219 | R212-K215 HydrophobicContact CB-CB 4.49Å; R212-K215 WeakPolarHBondContact O-CA 3.21Å; R212-K215 WeakPolarHBondContact O-CB 3.41Å; R212-K215 PolarHBondContact O-N 2.87Å; L213-K215 PolarHBondContact O-N 2.62Å; K215-S218 PolarHBondContact O-N 2.88Å; K215-S218 PolarHBondContact O-OG 3.18Å; K215-D219 WeakPolarHBondContact O-CB 3.27Å; K215-D219 PolarHBondContact O-N 3.44Å |
| 216 | V | 93.9 | Very high | 87.5 | Confident | 67 Ų | 67 | 120 Ų | 120 | 41% | 0.406 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.3 | -49.7 | 176 | 177.2 | 0 | 0 | 0 | 0 | 110.4 | R212 L213 S218 D219 M220 | R212-V216 PolarHBondContact O-N 2.92Å; L213-V216 PolarHBondContact O-N 3.21Å; L213-V216 VanDerWaalsContact O-N 3.13Å; V216-S218 VanDerWaalsContact C-N 3.31Å; V216-S218 PolarHBondContact O-N 3.02Å; V216-D219 PolarHBondContact O-N 3.36Å; V216-D219 VanDerWaalsContact O-N 3.08Å; V216-M220 HydrophobicContact CG1-CG 4.26Å; V216-M220 WeakPolarHBondContact O-CB 3.29Å; V216-M220 VanDerWaalsContact O-CG 3.28Å; V216-M220 WeakPolarHBondContact O-CG 3.29Å; V216-M220 PolarHBondContact O-N 2.92Å |
| 217 | L | 94.9 | Very high | 89.3 | Confident | 99 Ų | 99 | 119.1 Ų | 119.1 | 52% | 0.518 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.7 | -39.2 | 177.7 | -66.8 | 178.2 | 0 | 0 | 0 | 112.1 | L213 D219 K221 | L213-L217 HydrophobicContact CD1-CD1 4.24Å; L213-L217 HydrophobicContact CD1-CD2 4.49Å; L213-L217 HydrophobicContact CD1-CG 4.09Å; L213-L217 HydrophobicContact CG-CD1 3.99Å; L213-L217 HydrophobicContact CG-CG 4.26Å; L213-L217 WeakPolarHBondContact O-CG 3.3Å; L213-L217 PolarHBondContact O-N 3.11Å; L217-D219 VanDerWaalsContact C-N 3.3Å; L217-D219 PolarHBondContact O-N 3.46Å; L217-K221 WeakPolarHBondContact O-CB 3.34Å; L217-K221 PolarHBondContact O-N 3Å |
| 218 | S | 93.5 | Very high | 90.6 | Very high | 58 Ų | 58 | 118.5 Ų | 118.5 | 41% | 0.406 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.7 | -37.3 | 174.7 | 79.5 | 0 | 0 | 0 | 0 | 112.4 | D214 K215 V216 R222 | D214-S218 VanDerWaalsContact O-CB 3.27Å; D214-S218 WeakPolarHBondContact O-CB 3.11Å; D214-S218 PolarHBondContact O-N 3.11Å; D214-S218 PolarHBondContact O-OG 3Å; K215-S218 PolarHBondContact O-N 2.88Å; K215-S218 PolarHBondContact O-OG 3.18Å; V216-S218 VanDerWaalsContact C-N 3.31Å; V216-S218 PolarHBondContact O-N 3.02Å; S218-R222 WeakPolarHBondContact O-CB 3.22Å; S218-R222 PolarHBondContact O-N 2.99Å |
| 219 | D | 94.1 | Very high | 91.4 | Very high | 52 Ų | 52 | 114.6 Ų | 114.6 | 28% | 0.278 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -76.2 | -39.5 | 179.9 | -164.1 | 64.2 | 0 | 0 | 0 | 111.8 | K215 V216 L217 K221 R222 H223 | K215-D219 WeakPolarHBondContact O-CB 3.27Å; K215-D219 PolarHBondContact O-N 3.44Å; V216-D219 PolarHBondContact O-N 3.36Å; V216-D219 VanDerWaalsContact O-N 3.08Å; L217-D219 VanDerWaalsContact C-N 3.3Å; L217-D219 PolarHBondContact O-N 3.46Å; D219-K221 VanDerWaalsContact C-N 3.34Å; D219-K221 PolarHBondContact O-N 2.97Å; D219-R222 CarbonylContact O-C 3.58Å; D219-R222 WeakPolarHBondContact O-CA 3.45Å; D219-R222 WeakPolarHBondContact O-CB 3.48Å; D219-R222 PolarHBondContact O-N 2.97Å; D219-R222 VanDerWaalsContact O-N 3.12Å; D219-H223 PolarHBondContact O-N 3.42Å; D219-H223 PolarHBondContact O-ND1 3.43Å; D219-H223 IonicContact OD2-CE1 2.86Å; D219-H223 PolarHBondContact OD2-CE1 2.82Å; D219-H223 IonicContact OD2-ND1 3.76Å; D219-H223 PolarHBondContact OD2-ND1 2.98Å |
| 220 | M | 95.1 | Very high | 91.9 | Very high | 100 Ų | 100 | 104.4 Ų | 104.4 | 49% | 0.493 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.9 | -44 | 171.7 | -70.7 | -70.9 | 94.8 | 0 | 0 | 111.8 | V216 R222 H223 R224 | V216-M220 HydrophobicContact CG1-CG 4.26Å; V216-M220 WeakPolarHBondContact O-CB 3.29Å; V216-M220 VanDerWaalsContact O-CG 3.28Å; V216-M220 WeakPolarHBondContact O-CG 3.29Å; V216-M220 PolarHBondContact O-N 2.92Å; M220-R222 VanDerWaalsContact C-N 3.32Å; M220-R222 PolarHBondContact O-N 2.8Å; M220-H223 PolarHBondContact O-N 3.35Å; M220-R224 WeakPolarHBondContact O-CB 3.28Å; M220-R224 PolarHBondContact O-N 3.25Å |
| 221 | K | 95.3 | Very high | 92.4 | Very high | 164 Ų | 164 | 106.2 Ų | 106.2 | 71% | 0.713 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66 | -36.5 | 175.3 | -168.1 | 174.8 | -176.8 | 171.8 | 0 | 112.1 | L217 D219 K225 | L217-K221 WeakPolarHBondContact O-CB 3.34Å; L217-K221 PolarHBondContact O-N 3Å; D219-K221 VanDerWaalsContact C-N 3.34Å; D219-K221 PolarHBondContact O-N 2.97Å; K221-K225 PolarHBondContact O-N 2.86Å |
| 222 | R | 94.7 | Very high | 92.7 | Very high | 127 Ų | 127 | 109.9 Ų | 109.9 | 48% | 0.479 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.1 | -46.6 | 174.6 | 177.9 | -179.1 | 171.7 | -88.5 | -5.5 | 111.1 | S218 D219 M220 K225 I226 | S218-R222 WeakPolarHBondContact O-CB 3.22Å; S218-R222 PolarHBondContact O-N 2.99Å; D219-R222 CarbonylContact O-C 3.58Å; D219-R222 WeakPolarHBondContact O-CA 3.45Å; D219-R222 WeakPolarHBondContact O-CB 3.48Å; D219-R222 PolarHBondContact O-N 2.97Å; D219-R222 VanDerWaalsContact O-N 3.12Å; M220-R222 VanDerWaalsContact C-N 3.32Å; M220-R222 PolarHBondContact O-N 2.8Å; R222-K225 PolarHBondContact O-N 2.87Å; R222-I226 HydrophobicContact CG-CD1 3.86Å; R222-I226 WeakPolarHBondContact O-CG1 3.4Å; R222-I226 PolarHBondContact O-N 3.47Å |
| 223 | H | 93.8 | Very high | 92.5 | Very high | 68 Ų | 68 | 106 Ų | 106 | 32% | 0.315 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 177.8 | -85.2 | 117.5 | 0 | 0 | 0 | 112 | D219 M220 K225 I226 E227 | D219-H223 PolarHBondContact O-N 3.42Å; D219-H223 PolarHBondContact O-ND1 3.43Å; D219-H223 IonicContact OD2-CE1 2.86Å; D219-H223 PolarHBondContact OD2-CE1 2.82Å; D219-H223 IonicContact OD2-ND1 3.76Å; D219-H223 PolarHBondContact OD2-ND1 2.98Å; M220-H223 PolarHBondContact O-N 3.35Å; H223-K225 PolarHBondContact O-N 2.78Å; H223-I226 CarbonylContact O-C 3.59Å; H223-I226 WeakPolarHBondContact O-CA 3.43Å; H223-I226 WeakPolarHBondContact O-CB 3.09Å; H223-I226 PolarHBondContact O-N 2.79Å; H223-E227 WeakPolarHBondContact O-CG 3.5Å; H223-E227 PolarHBondContact O-N 3.25Å |
| 224 | R | 94.4 | Very high | 92.1 | Very high | 185 Ų | 185 | 103.5 Ų | 103.5 | 70% | 0.698 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -55.6 | -39.8 | 176 | -169 | -178.9 | -64.1 | 172.4 | -0.4 | 112.6 | M220 E228 | M220-R224 WeakPolarHBondContact O-CB 3.28Å; M220-R224 PolarHBondContact O-N 3.25Å; R224-E228 WeakPolarHBondContact O-CB 3.4Å; R224-E228 PolarHBondContact O-N 2.94Å |
| 225 | K | 93.5 | Very high | 91.6 | Very high | 159 Ų | 159 | 105.4 Ų | 105.4 | 69% | 0.691 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.9 | -36.6 | 177.2 | -172 | 174.7 | -177 | 176.4 | 0 | 112.6 | K221 R222 H223 H229 | K221-K225 PolarHBondContact O-N 2.86Å; R222-K225 PolarHBondContact O-N 2.87Å; H223-K225 PolarHBondContact O-N 2.78Å; K225-H229 WeakPolarHBondContact O-CB 3.17Å; K225-H229 PolarHBondContact O-N 3.44Å |
| 226 | I | 90.5 | Very high | 91.3 | Very high | 33 Ų | 33 | 101.3 Ų | 101.3 | 17% | 0.169 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -65.3 | -48.6 | 174.9 | -73.3 | 163.3 | 0 | 0 | 0 | 109.5 | R222 H223 E228 H229 I230 F238 | R222-I226 HydrophobicContact CG-CD1 3.86Å; R222-I226 WeakPolarHBondContact O-CG1 3.4Å; R222-I226 PolarHBondContact O-N 3.47Å; H223-I226 CarbonylContact O-C 3.59Å; H223-I226 WeakPolarHBondContact O-CA 3.43Å; H223-I226 WeakPolarHBondContact O-CB 3.09Å; H223-I226 PolarHBondContact O-N 2.79Å; I226-E228 PolarHBondContact O-N 3.41Å; I226-H229 CarbonylContact O-C 3.59Å; I226-H229 WeakPolarHBondContact O-CA 3.18Å; I226-H229 WeakPolarHBondContact O-CB 3.26Å; I226-H229 PolarHBondContact O-N 3Å; I226-H229 VanDerWaalsContact O-N 3.08Å; I226-I230 HydrophobicContact CG2-CD1 3.74Å; I226-I230 HydrophobicContact CG2-CG1 4.39Å; I226-I230 VanDerWaalsContact O-CG1 3.28Å; I226-I230 WeakPolarHBondContact O-CG1 3.39Å; I226-I230 PolarHBondContact O-N 3.15Å; I226-F238 HydrophobicContact CB-CE2 4.42Å; I226-F238 HydrophobicContact CD1-CE2 3.91Å; I226-F238 HydrophobicContact CD1-CZ 3.83Å; I226-F238 HydrophobicContact CG1-CE2 4.27Å; I226-F238 HydrophobicContact CG2-CD2 3.82Å; I226-F238 HydrophobicContact CG2-CE2 3.36Å; I226-F238 HydrophobicContact CG2-CZ 4.34Å |
| 227 | E | 90.5 | Very high | 90.4 | Very high | 111 Ų | 111 | 103.9 Ų | 103.9 | 52% | 0.519 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.9 | -45.4 | 176.8 | -72.2 | 170.2 | 179.6 | 0 | 0 | 111.8 | H223 H229 I230 L231 | H223-E227 WeakPolarHBondContact O-CG 3.5Å; H223-E227 PolarHBondContact O-N 3.25Å; E227-H229 PolarHBondContact O-N 3.46Å; E227-I230 CarbonylContact O-C 3.58Å; E227-I230 PolarHBondContact O-N 2.7Å; E227-I230 VanDerWaalsContact O-N 3.08Å; E227-L231 WeakPolarHBondContact O-CB 3.2Å; E227-L231 VanDerWaalsContact O-CG 3.31Å; E227-L231 WeakPolarHBondContact O-CG 3.5Å; E227-L231 PolarHBondContact O-N 3.36Å |
| 228 | E | 93 | Very high | 89.5 | Confident | 91 Ų | 91 | 105 Ų | 105 | 43% | 0.425 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.7 | -36.8 | 175.7 | -165.9 | -161.9 | 149.1 | 0 | 0 | 111.7 | R224 I226 R232 | R224-E228 WeakPolarHBondContact O-CB 3.4Å; R224-E228 PolarHBondContact O-N 2.94Å; I226-E228 PolarHBondContact O-N 3.41Å; E228-R232 WeakPolarHBondContact O-CB 3.1Å; E228-R232 PolarHBondContact O-N 2.82Å; E228-R232 IonicContact OE1-CZ 3.08Å; E228-R232 IonicContact OE1-NH1 3.9Å; E228-R232 PolarHBondContact OE1-NH1 3.36Å; E228-R232 IonicContact OE1-NH2 2.77Å; E228-R232 PolarHBondContact OE1-NH2 3.18Å |
| 229 | H | 90 | Very high | 88.6 | Confident | 99 Ų | 99 | 110.1 Ų | 110.1 | 46% | 0.458 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69 | -39.6 | 174.1 | -168.1 | 51.2 | 0 | 0 | 0 | 111.4 | K225 I226 E227 R232 T233 | K225-H229 WeakPolarHBondContact O-CB 3.17Å; K225-H229 PolarHBondContact O-N 3.44Å; I226-H229 CarbonylContact O-C 3.59Å; I226-H229 WeakPolarHBondContact O-CA 3.18Å; I226-H229 WeakPolarHBondContact O-CB 3.26Å; I226-H229 PolarHBondContact O-N 3Å; I226-H229 VanDerWaalsContact O-N 3.08Å; E227-H229 PolarHBondContact O-N 3.46Å; H229-R232 PolarHBondContact O-N 3.13Å; H229-T233 PolarHBondContact CE1-OG1 2.96Å; H229-T233 PolarHBondContact ND1-OG1 3.08Å; H229-T233 VanDerWaalsContact O-CB 3.25Å; H229-T233 WeakPolarHBondContact O-CB 3.16Å; H229-T233 PolarHBondContact O-N 3.06Å; H229-T233 PolarHBondContact O-OG1 3.37Å |
| 230 | I | 90.4 | Very high | 86.6 | Confident | 39 Ų | 39 | 112.5 Ų | 112.5 | 20% | 0.2 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 175.4 | -64.2 | 168.4 | 0 | 0 | 0 | 110.4 | I226 E227 G234 D236 | I226-I230 HydrophobicContact CG2-CD1 3.74Å; I226-I230 HydrophobicContact CG2-CG1 4.39Å; I226-I230 VanDerWaalsContact O-CG1 3.28Å; I226-I230 WeakPolarHBondContact O-CG1 3.39Å; I226-I230 PolarHBondContact O-N 3.15Å; E227-I230 CarbonylContact O-C 3.58Å; E227-I230 PolarHBondContact O-N 2.7Å; E227-I230 VanDerWaalsContact O-N 3.08Å; I230-G234 WeakPolarHBondContact O-CA 3.26Å; I230-G234 PolarHBondContact O-N 2.82Å; I230-D236 HydrophobicContact CD1-CB 4.2Å; I230-D236 WeakPolarHBondContact CD1-OD1 3.4Å; I230-D236 HydrophobicContact CG1-CB 4.39Å; I230-D236 HydrophobicContact CG2-CB 3.96Å |
| 231 | L | 87.5 | Confident | 84.7 | Confident | 149 Ų | 149 | 116 Ų | 116 | 78% | 0.78 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63.4 | -42.6 | 176.4 | -71.9 | 171.8 | 0 | 0 | 0 | 111.6 | E227 | E227-L231 WeakPolarHBondContact O-CB 3.2Å; E227-L231 VanDerWaalsContact O-CG 3.31Å; E227-L231 WeakPolarHBondContact O-CG 3.5Å; E227-L231 PolarHBondContact O-N 3.36Å |
| 232 | R | 91.1 | Very high | 82.7 | Confident | 173 Ų | 173 | 118 Ų | 118 | 65% | 0.653 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -72.8 | -37.7 | -179.9 | -176.2 | -178.7 | -78.1 | 110.6 | -6.4 | 112.9 | E228 H229 | E228-R232 WeakPolarHBondContact O-CB 3.1Å; E228-R232 PolarHBondContact O-N 2.82Å; E228-R232 IonicContact OE1-CZ 3.08Å; E228-R232 IonicContact OE1-NH1 3.9Å; E228-R232 PolarHBondContact OE1-NH1 3.36Å; E228-R232 IonicContact OE1-NH2 2.77Å; E228-R232 PolarHBondContact OE1-NH2 3.18Å; H229-R232 PolarHBondContact O-N 3.13Å |
| 233 | T | 87.4 | Confident | 80.6 | Confident | 78 Ų | 78 | 121.3 Ų | 121.3 | 48% | 0.479 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -104.9 | -8.9 | -170.4 | -19.6 | 0 | 0 | 0 | 0 | 112.6 | H229 R235 | H229-T233 PolarHBondContact CE1-OG1 2.96Å; H229-T233 PolarHBondContact ND1-OG1 3.08Å; H229-T233 VanDerWaalsContact O-CB 3.25Å; H229-T233 WeakPolarHBondContact O-CB 3.16Å; H229-T233 PolarHBondContact O-N 3.06Å; H229-T233 PolarHBondContact O-OG1 3.37Å; T233-R235 PolarHBondContact O-N 2.8Å |
| 234 | G | 85.1 | Confident | 78.2 | Confident | 69 Ų | 69 | 126.4 Ų | 126.4 | 71% | 0.711 | 61% | 0.605 | S | S | * | * | trans | 66 | -3.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | I230 | I230-G234 WeakPolarHBondContact O-CA 3.26Å; I230-G234 PolarHBondContact O-N 2.82Å | ||
| 235 | R | 82.2 | Confident | 76 | Confident | 167 Ų | 167 | 126 Ų | 126 | 63% | 0.63 | 61% | 0.611 | S | S | * | * | trans | -109.8 | 111.9 | -173.9 | -171.3 | 175.4 | -179.9 | 103.6 | 1.7 | 110.6 | T233 L237 | T233-R235 PolarHBondContact O-N 2.8Å; R235-L237 HydrophobicContact CG-CD2 4.5Å | ||
| 236 | D | 85.6 | Confident | 73.9 | Confident | 40 Ų | 40 | 127.2 Ų | 127.2 | 21% | 0.214 | 62% | 0.619 | C | S | . | * | trans | -86.4 | 110.2 | 175.6 | -170 | -11.7 | 0 | 0 | 0 | 110.8 | I230 F238 K239 | I230-D236 HydrophobicContact CD1-CB 4.2Å; I230-D236 WeakPolarHBondContact CD1-OD1 3.4Å; I230-D236 HydrophobicContact CG1-CB 4.39Å; I230-D236 HydrophobicContact CG2-CB 3.96Å; D236-F238 PolarHBondContact O-N 3.12Å; D236-F238 WeakPolarHBondContact OD1-CB 3.49Å; D236-F238 PolarHBondContact OD1-N 3.44Å; D236-K239 HydrophobicContact CB-CB 4.17Å; D236-K239 HydrophobicContact CB-CD 3.99Å; D236-K239 HydrophobicContact CB-CG 4.2Å; D236-K239 PolarHBondContact OD1-N 3.41Å; D236-K239 WeakPolarHBondContact OD2-CD 3.38Å; D236-K239 WeakPolarHBondContact OD2-CE 3.35Å; D236-K239 VanDerWaalsContact OD2-CG 3.26Å; D236-K239 WeakPolarHBondContact OD2-CG 3.4Å; D236-K239 IonicContact OD2-NZ 2.71Å | ||
| 237 | L | 74.9 | Confident | 72 | Confident | 121 Ų | 121 | 130.4 Ų | 130.4 | 63% | 0.634 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -76.9 | -11.2 | 178.8 | -61.7 | 175.4 | 0 | 0 | 0 | 113 | R235 | R235-L237 HydrophobicContact CG-CD2 4.5Š|
| 238 | F | 76.3 | Confident | 70.2 | Confident | 123 Ų | 123 | 131.9 Ų | 131.9 | 54% | 0.539 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -93.8 | -18.3 | 177.4 | -66.3 | -86.9 | 0 | 0 | 0 | 112.4 | I226 D236 S240 | I226-F238 HydrophobicContact CB-CE2 4.42Å; I226-F238 HydrophobicContact CD1-CE2 3.91Å; I226-F238 HydrophobicContact CD1-CZ 3.83Å; I226-F238 HydrophobicContact CG1-CE2 4.27Å; I226-F238 HydrophobicContact CG2-CD2 3.82Å; I226-F238 HydrophobicContact CG2-CE2 3.36Å; I226-F238 HydrophobicContact CG2-CZ 4.34Å; D236-F238 PolarHBondContact O-N 3.12Å; D236-F238 WeakPolarHBondContact OD1-CB 3.49Å; D236-F238 PolarHBondContact OD1-N 3.44Å; F238-S240 VanDerWaalsContact C-N 3.29Å; F238-S240 PolarHBondContact O-N 3.47Å; F238-S240 VanDerWaalsContact O-N 3.11Å |
| 239 | K | 74.4 | Confident | 68.5 | Low | 164 Ų | 164 | 131.3 Ų | 131.3 | 71% | 0.713 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -82.1 | 79.7 | 164.8 | -70.3 | 172.9 | -171.8 | 170.6 | 0 | 108.6 | D236 E241 | D236-K239 HydrophobicContact CB-CB 4.17Å; D236-K239 HydrophobicContact CB-CD 3.99Å; D236-K239 HydrophobicContact CB-CG 4.2Å; D236-K239 PolarHBondContact OD1-N 3.41Å; D236-K239 WeakPolarHBondContact OD2-CD 3.38Å; D236-K239 WeakPolarHBondContact OD2-CE 3.35Å; D236-K239 VanDerWaalsContact OD2-CG 3.26Å; D236-K239 WeakPolarHBondContact OD2-CG 3.4Å; D236-K239 IonicContact OD2-NZ 2.71Å; K239-E241 PolarHBondContact O-N 2.87Å |
| 240 | S | 53.3 | Low | 67 | Low | 102 Ų | 102 | 131.6 Ų | 131.6 | 71% | 0.713 | 68% | 0.678 | S | S | * | * | trans | -57.6 | 122.2 | 167.6 | 55.6 | 0 | 0 | 0 | 0 | 108.9 | F238 K242 | F238-S240 VanDerWaalsContact C-N 3.29Å; F238-S240 PolarHBondContact O-N 3.47Å; F238-S240 VanDerWaalsContact O-N 3.11Å; S240-K242 PolarHBondContact O-N 2.87Å | ||
| 241 | E | 55.2 | Low | 65.5 | Low | 173 Ų | 173 | 135.7 Ų | 135.7 | 81% | 0.808 | 70% | 0.7 | S | S | * | * | trans | -8.7 | 95.9 | 160.6 | -66.2 | 168.3 | 178.3 | 0 | 0 | 113 | K239 K243 | K239-E241 PolarHBondContact O-N 2.87Å; E241-K243 PolarHBondContact O-N 3.5Å | ||
| 242 | K | 52.1 | Low | 64.3 | Low | 207 Ų | 207 | 131.8 Ų | 131.8 | 90% | 0.9 | 69% | 0.686 | S | S | * | * | trans | -64.6 | 106.6 | 171.2 | -78 | -179.7 | 176.1 | 179.3 | 0 | 107.7 | S240 L244 | S240-K242 PolarHBondContact O-N 2.87Å; K242-L244 PolarHBondContact O-N 3.03Å | ||
| 243 | K | 51.3 | Low | 63.1 | Low | 196 Ų | 196 | 129.2 Ų | 129.2 | 85% | 0.852 | 68% | 0.681 | S | S | * | * | trans | 26.7 | 88.2 | 160.1 | -67.2 | -176.6 | 177.7 | -175.9 | 0 | 115 | E241 | E241-K243 PolarHBondContact O-N 3.5Š| ||
| 244 | L | 43.7 | Very low | 62.3 | Low | 175 Ų | 175 | 131.7 Ų | 131.7 | 92% | 0.916 | 69% | 0.685 | S | S | * | * | trans | -87.8 | 102.6 | 146.5 | -119.9 | 164.1 | 0 | 0 | 0 | 105.5 | K242 E246 | K242-L244 PolarHBondContact O-N 3.03Å; L244-E246 PolarHBondContact O-N 2.85Å; L244-E246 VanDerWaalsContact O-N 3.07Å | ||
| 245 | E | 48.8 | Very low | 61.6 | Low | 178 Ų | 178 | 134.3 Ų | 134.3 | 83% | 0.832 | 68% | 0.679 | S | S | * | * | trans | -56.4 | 110.8 | 174.9 | -79 | -165.8 | 155.1 | 0 | 0 | 109.9 | ||||
| 246 | E | 47.9 | Very low | 61.2 | Low | 183 Ų | 183 | 135.3 Ų | 135.3 | 86% | 0.855 | 68% | 0.683 | S | S | * | * | trans | -86.6 | 108.7 | 168.3 | -163.4 | 161.2 | -168.7 | 0 | 0 | 107.6 | L244 L248 | L244-E246 PolarHBondContact O-N 2.85Å; L244-E246 VanDerWaalsContact O-N 3.07Å; E246-L248 PolarHBondContact O-N 3.17Å; E246-L248 VanDerWaalsContact O-N 3.09Å | ||
| 247 | A | 50.6 | Low | 60.7 | Low | 101 Ų | 101 | 139 Ų | 139 | 84% | 0.835 | 70% | 0.699 | S | S | * | * | trans | -58.6 | 110.3 | -176 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 248 | L | 53.5 | Low | 60.8 | Low | 141 Ų | 141 | 138.1 Ų | 138.1 | 74% | 0.738 | 69% | 0.69 | S | S | * | * | trans | -76.9 | 141.2 | 174.6 | -68.7 | 171.8 | 0 | 0 | 0 | 111.1 | E246 | E246-L248 PolarHBondContact O-N 3.17Å; E246-L248 VanDerWaalsContact O-N 3.09Å | ||
| 249 | S | 56.5 | Low | 60.6 | Low | 79 Ų | 79 | 136.2 Ų | 136.2 | 55% | 0.552 | 68% | 0.682 | S | S | * | * | trans | -52.8 | 138.6 | -170.2 | 178.7 | 0 | 0 | 0 | 0 | 114.6 | N251 S252 | S249-N251 PolarHBondContact O-N 2.89Å; S249-S252 PolarHBondContact O-N 3.43Å | ||
| 250 | P | 59.8 | Low | 60.8 | Low | 105 Ų | 105 | 137.5 Ų | 137.5 | 68% | 0.682 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -59.2 | -18.6 | -172 | 19.5 | -32.1 | 0 | 0 | 0 | 115.2 | ||
| 251 | N | 59.1 | Low | 61.9 | Low | 125 Ų | 125 | 139.5 Ų | 139.5 | 67% | 0.668 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -74.6 | -33.1 | 176.9 | -158.5 | 25.4 | 0 | 0 | 0 | 112.6 | S249 E255 | S249-N251 PolarHBondContact O-N 2.89Å; N251-E255 PolarHBondContact O-N 3.05Å |
| 252 | S | 61.5 | Low | 62.8 | Low | 68 Ų | 68 | 137.7 Ų | 137.7 | 48% | 0.476 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -73.9 | -34.3 | -179.7 | 179.6 | 0 | 0 | 0 | 0 | 112.1 | S249 R256 | S249-S252 PolarHBondContact O-N 3.43Å; S252-R256 WeakPolarHBondContact O-CB 3.47Å; S252-R256 PolarHBondContact O-N 3.3Å |
| 253 | Q | 65.6 | Low | 63.9 | Low | 119 Ų | 119 | 131.5 Ų | 131.5 | 56% | 0.556 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -64.2 | -45.3 | 174.8 | -77.9 | -177.1 | -47.4 | 0 | 0 | 111.7 | E255 R256 E257 | Q253-E255 VanDerWaalsContact C-N 3.3Å; Q253-E255 PolarHBondContact O-N 3.04Å; Q253-R256 PolarHBondContact O-N 3.04Å; Q253-E257 WeakPolarHBondContact O-CG 3.4Å; Q253-E257 PolarHBondContact O-N 2.65Å |
| 254 | K | 70.9 | Confident | 65.2 | Low | 130 Ų | 130 | 126.2 Ų | 126.2 | 57% | 0.565 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -67.6 | -29.8 | -178.5 | -164.7 | 167.2 | -172.2 | 170.4 | 0 | 113.3 | K258 | K254-K258 WeakPolarHBondContact O-CB 3.28Å; K254-K258 WeakPolarHBondContact O-CG 3.39Å; K254-K258 PolarHBondContact O-N 3.47Å |
| 255 | E | 71.3 | Confident | 66.9 | Low | 123 Ų | 123 | 122.1 Ų | 122.1 | 58% | 0.575 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -71.8 | -45.7 | 172.9 | -170.1 | 170 | -160.5 | 0 | 0 | 111 | N251 Q253 E257 K258 E259 | N251-E255 PolarHBondContact O-N 3.05Å; Q253-E255 VanDerWaalsContact C-N 3.3Å; Q253-E255 PolarHBondContact O-N 3.04Å; E255-E257 VanDerWaalsContact C-N 3.35Å; E255-E257 PolarHBondContact O-N 2.98Å; E255-K258 PolarHBondContact O-N 3.38Å; E255-E259 WeakPolarHBondContact O-CG 3.46Å; E255-E259 PolarHBondContact O-N 3.26Å |
| 256 | R | 72.1 | Confident | 68.3 | Low | 189 Ų | 189 | 117.7 Ų | 117.7 | 71% | 0.713 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.7 | -36.1 | 178.6 | -164.3 | 176 | -170.1 | -161.4 | 2.2 | 113 | S252 Q253 E259 R260 | S252-R256 WeakPolarHBondContact O-CB 3.47Å; S252-R256 PolarHBondContact O-N 3.3Å; Q253-R256 PolarHBondContact O-N 3.04Å; R256-E259 PolarHBondContact O-N 2.95Å; R256-R260 WeakPolarHBondContact O-CB 3.45Å; R256-R260 PolarHBondContact O-N 3.45Å |
| 257 | E | 77 | Confident | 69.7 | Low | 117 Ų | 117 | 115.7 Ų | 115.7 | 55% | 0.547 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.1 | -42.8 | 173.8 | -75.9 | 175.2 | 177 | 0 | 0 | 111.7 | Q253 E255 E259 R260 E261 | Q253-E257 WeakPolarHBondContact O-CG 3.4Å; Q253-E257 PolarHBondContact O-N 2.65Å; E255-E257 VanDerWaalsContact C-N 3.35Å; E255-E257 PolarHBondContact O-N 2.98Å; E257-E259 VanDerWaalsContact C-N 3.31Å; E257-E259 PolarHBondContact O-N 3.08Å; E257-R260 PolarHBondContact O-N 2.99Å; E257-R260 VanDerWaalsContact O-N 3.16Å; E257-E261 WeakPolarHBondContact O-CG 3.39Å; E257-E261 PolarHBondContact O-N 3.3Å |
| 258 | K | 75.1 | Confident | 71 | Confident | 102 Ų | 102 | 113.5 Ų | 113.5 | 44% | 0.443 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.5 | -28.5 | 175.4 | -79.2 | 179.8 | 177.2 | -178.2 | 0 | 113.7 | K254 E255 R262 | K254-K258 WeakPolarHBondContact O-CB 3.28Å; K254-K258 WeakPolarHBondContact O-CG 3.39Å; K254-K258 PolarHBondContact O-N 3.47Å; E255-K258 PolarHBondContact O-N 3.38Å; K258-R262 WeakPolarHBondContact O-CG 3.25Å; K258-R262 PolarHBondContact O-N 3.32Å; K258-R262 PolarHBondContact O-NH1 3.09Å |
| 259 | E | 73.4 | Confident | 72.2 | Confident | 83 Ų | 83 | 110.9 Ų | 110.9 | 39% | 0.388 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70.5 | -45.6 | 169.4 | -73.1 | -174.7 | 153.7 | 0 | 0 | 110.2 | E255 R256 E257 E261 R262 D263 | E255-E259 WeakPolarHBondContact O-CG 3.46Å; E255-E259 PolarHBondContact O-N 3.26Å; R256-E259 PolarHBondContact O-N 2.95Å; E257-E259 VanDerWaalsContact C-N 3.31Å; E257-E259 PolarHBondContact O-N 3.08Å; E259-E261 PolarHBondContact O-N 2.83Å; E259-R262 PolarHBondContact O-N 3.3Å; E259-D263 WeakPolarHBondContact O-CB 3.14Å; E259-D263 PolarHBondContact O-N 3.05Å |
| 260 | R | 78.1 | Confident | 73.3 | Confident | 191 Ų | 191 | 115.7 Ų | 115.7 | 72% | 0.721 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.7 | -39 | 178.8 | -160.6 | 171.7 | -171.6 | -176 | 0.6 | 113.1 | R256 E257 D263 S264 | R256-R260 WeakPolarHBondContact O-CB 3.45Å; R256-R260 PolarHBondContact O-N 3.45Å; E257-R260 PolarHBondContact O-N 2.99Å; E257-R260 VanDerWaalsContact O-N 3.16Å; R260-D263 PolarHBondContact O-N 3.05Å; R260-S264 VanDerWaalsContact O-CB 3.3Å; R260-S264 WeakPolarHBondContact O-CB 3.45Å; R260-S264 PolarHBondContact O-N 2.83Å; R260-S264 PolarHBondContact O-OG 3.2Å |
| 261 | E | 77.6 | Confident | 74.2 | Confident | 144 Ų | 144 | 113.4 Ų | 113.4 | 67% | 0.673 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.2 | -37.5 | 175.7 | -75.5 | 177.7 | 176.6 | 0 | 0 | 112.4 | E257 E259 | E257-E261 WeakPolarHBondContact O-CG 3.39Å; E257-E261 PolarHBondContact O-N 3.3Å; E259-E261 PolarHBondContact O-N 2.83Å |
| 262 | R | 72.8 | Confident | 75.3 | Confident | 136 Ų | 136 | 113.9 Ų | 113.9 | 51% | 0.513 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -75.7 | -30.6 | 176.1 | -72.3 | -171.5 | -168.5 | 97.5 | -7.7 | 112.9 | K258 E259 T268 | K258-R262 WeakPolarHBondContact O-CG 3.25Å; K258-R262 PolarHBondContact O-N 3.32Å; K258-R262 PolarHBondContact O-NH1 3.09Å; E259-R262 PolarHBondContact O-N 3.3Å; R262-T268 PolarHBondContact O-OG1 2.54Å |
| 263 | D | 76.3 | Confident | 76.1 | Confident | 76 Ų | 76 | 117.1 Ų | 117.1 | 41% | 0.406 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -90.1 | -8.3 | 179.9 | -60.2 | -15.8 | 0 | 0 | 0 | 112.1 | E259 R260 I269 R273 | E259-D263 WeakPolarHBondContact O-CB 3.14Å; E259-D263 PolarHBondContact O-N 3.05Å; R260-D263 PolarHBondContact O-N 3.05Å; D263-I269 WeakPolarHBondContact O-CD1 3.43Å; D263-I269 VanDerWaalsContact O-CG1 3.25Å; D263-I269 WeakPolarHBondContact O-CG1 3.31Å; D263-R273 IonicContact OD1-CZ 3.94Å; D263-R273 IonicContact OD1-NH2 3.33Å; D263-R273 PolarHBondContact OD1-NH2 3.08Å; D263-R273 IonicContact OD2-NH2 2.98Å |
| 264 | S | 77.6 | Confident | 76.6 | Confident | 86 Ų | 86 | 120.8 Ų | 120.8 | 60% | 0.601 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -82.5 | -20.1 | 170.7 | -61.3 | 0 | 0 | 0 | 0 | 112.8 | R260 P266 | R260-S264 VanDerWaalsContact O-CB 3.3Å; R260-S264 WeakPolarHBondContact O-CB 3.45Å; R260-S264 PolarHBondContact O-N 2.83Å; R260-S264 PolarHBondContact O-OG 3.2Å; S264-P266 WeakPolarHBondContact O-CD 3.17Å |
| 265 | N | 80.6 | Confident | 76.8 | Confident | 88 Ų | 88 | 124.3 Ų | 124.3 | 47% | 0.471 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -90.1 | 112 | 179.6 | -152.9 | -9.5 | 0 | 0 | 0 | 109.1 | N267 T268 | N265-N267 PolarHBondContact O-N 3.32Å; N265-T268 PolarHBondContact O-N 2.95Å; N265-T268 PolarHBondContact O-OG1 2.82Å |
| 266 | P | 76.8 | Confident | 76.9 | Confident | 86 Ų | 86 | 130.3 Ų | 130.3 | 56% | 0.558 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.1 | -21.6 | -168.6 | 24.4 | -34.9 | 0 | 0 | 0 | 113.7 | S264 T268 | S264-P266 WeakPolarHBondContact O-CD 3.17Å; P266-T268 VanDerWaalsContact C-N 3.34Å |
| 267 | N | 76.7 | Confident | 76.5 | Confident | 141 Ų | 141 | 134.4 Ų | 134.4 | 75% | 0.754 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -74.6 | -18.9 | 177.4 | -70.7 | -32.2 | 0 | 0 | 0 | 113.8 | N265 | N265-N267 PolarHBondContact O-N 3.32Å |
| 268 | T | 78.9 | Confident | 76.4 | Confident | 54 Ų | 54 | 135.3 Ų | 135.3 | 33% | 0.331 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -104 | -20.6 | -176.6 | 43.3 | 0 | 0 | 0 | 0 | 113.9 | R262 N265 P266 F270 S271 | R262-T268 PolarHBondContact O-OG1 2.54Å; N265-T268 PolarHBondContact O-N 2.95Å; N265-T268 PolarHBondContact O-OG1 2.82Å; P266-T268 VanDerWaalsContact C-N 3.34Å; T268-F270 PolarHBondContact O-N 3.39Å; T268-S271 PolarHBondContact O-N 2.88Å; T268-S271 VanDerWaalsContact O-N 3.13Å; T268-S271 PolarHBondContact O-OG 2.77Å |
| 269 | I | 78.8 | Confident | 76.5 | Confident | 87 Ų | 87 | 137.1 Ų | 137.1 | 45% | 0.446 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -57.5 | -36.9 | 179.5 | -58.8 | 169.6 | 0 | 0 | 0 | 111.7 | D263 | D263-I269 WeakPolarHBondContact O-CD1 3.43Å; D263-I269 VanDerWaalsContact O-CG1 3.25Å; D263-I269 WeakPolarHBondContact O-CG1 3.31Å |
| 270 | F | 78.9 | Confident | 76.7 | Confident | 180 Ų | 180 | 140.1 Ų | 140.1 | 79% | 0.789 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 4.7 | -178.3 | -65.2 | -76.3 | 0 | 0 | 0 | 114.3 | T268 | T268-F270 PolarHBondContact O-N 3.39Š|
| 271 | S | 78.3 | Confident | 76.6 | Confident | 57 Ų | 57 | 137.1 Ų | 137.1 | 40% | 0.399 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -76 | 127.7 | 177.5 | 66.1 | 0 | 0 | 0 | 0 | 110.7 | T268 R273 | T268-S271 PolarHBondContact O-N 2.88Å; T268-S271 VanDerWaalsContact O-N 3.13Å; T268-S271 PolarHBondContact O-OG 2.77Å; S271-R273 PolarHBondContact O-N 2.74Å; S271-R273 VanDerWaalsContact O-N 3.08Å |
| 272 | P | 83.2 | Confident | 76.5 | Confident | 135 Ų | 135 | 136.6 Ų | 136.6 | 88% | 0.877 | 65% | 0.648 | S | S | * | * | trans | -58.3 | 114.7 | 178.4 | -27 | 35.4 | 0 | 0 | 0 | 111.9 | ||||
| 273 | R | 78.6 | Confident | 76.8 | Confident | 136 Ų | 136 | 136.7 Ų | 136.7 | 51% | 0.513 | 66% | 0.657 | S | S | . | * | trans | -82.7 | 123.6 | 177.6 | -75.2 | -177.9 | 174.1 | -152.3 | 10.9 | 110.6 | D263 S271 R275 | D263-R273 IonicContact OD1-CZ 3.94Å; D263-R273 IonicContact OD1-NH2 3.33Å; D263-R273 PolarHBondContact OD1-NH2 3.08Å; D263-R273 IonicContact OD2-NH2 2.98Å; S271-R273 PolarHBondContact O-N 2.74Å; S271-R273 VanDerWaalsContact O-N 3.08Å; R273-R275 PolarHBondContact O-N 2.77Å; R273-R275 VanDerWaalsContact O-N 3.15Å | ||
| 274 | Q | 75.5 | Confident | 76.8 | Confident | 195 Ų | 195 | 141 Ų | 141 | 91% | 0.911 | 67% | 0.674 | S | S | * | * | trans | -66.7 | 110.5 | 165.4 | -81.9 | -173.4 | -27.1 | 0 | 0 | 109.3 | R276 | Q274-R276 PolarHBondContact O-N 3.01Š| ||
| 275 | R | 74.9 | Confident | 76.7 | Confident | 205 Ų | 205 | 145.2 Ų | 145.2 | 77% | 0.774 | 68% | 0.68 | S | S | * | * | trans | -69.3 | 122.4 | 166.4 | -71.9 | -179.7 | 148.2 | -140.1 | -5.9 | 107.9 | R273 Y277 | R273-R275 PolarHBondContact O-N 2.77Å; R273-R275 VanDerWaalsContact O-N 3.15Å; R275-Y277 HydrophobicContact CB-CE2 4.34Å; R275-Y277 PolarHBondContact O-N 2.71Å | ||
| 276 | R | 74.3 | Confident | 76.4 | Confident | 249 Ų | 249 | 150 Ų | 150 | 94% | 0.94 | 70% | 0.698 | S | S | * | * | trans | -72.3 | 122.2 | 167.3 | -62.9 | -162.6 | -173.6 | -141.8 | 4 | 107.2 | Q274 | Q274-R276 PolarHBondContact O-N 3.01Š| ||
| 277 | Y | 62.3 | Low | 76.4 | Confident | 275 Ų | 275 | 155.8 Ų | 155.8 | 100% | 1.078 | 71% | 0.71 | S | S | * | * | trans | -92.8 | 0 | 168.1 | -72.2 | -84.9 | 0 | 0 | 0 | 109.4 | R275 | R275-Y277 HydrophobicContact CB-CE2 4.34Å; R275-Y277 PolarHBondContact O-N 2.71Å |
Retrieved 277 of 277 residues in 301.6 ms
(Link to these results)