| 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 | 42.7 | Very low | 50.2 | Low | 244 Ų | 244 | 147.7 Ų | 147.7 | 100% | 1.202 | 86% | 0.857 | S | S | * | * | 0 | 98.4 | 0 | -87.7 | 168.7 | 173.9 | 0 | 0 | 108.1 | |||||
| 2 | L | 48.2 | Very low | 50.2 | Low | 162 Ų | 162 | 142.7 Ų | 142.7 | 85% | 0.848 | 85% | 0.845 | S | S | * | * | trans | -113.3 | 112.2 | 172.4 | -92.1 | 138 | 0 | 0 | 0 | 107.1 | ||||
| 3 | A | 49.8 | Very low | 50.4 | Low | 97 Ų | 97 | 141.5 Ų | 141.5 | 80% | 0.802 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 124.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 4 | W | 49.3 | Very low | 50.6 | Low | 246 Ų | 246 | 137.3 Ų | 137.3 | 93% | 0.932 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 116.1 | 167.8 | -72.4 | 76.2 | 0 | 0 | 0 | 107.9 | ||
| 5 | Q | 54.6 | Low | 50.6 | Low | 183 Ų | 183 | 138.9 Ų | 138.9 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 126.7 | 179.3 | -158 | 89.4 | 61.7 | 0 | 0 | 109.9 | ||
| 6 | D | 46 | Very low | 51.2 | Low | 145 Ų | 145 | 140.3 Ų | 140.3 | 78% | 0.775 | 82% | 0.815 | S | S | * | * | trans | 15.4 | 108.3 | 157.5 | -148.8 | -110.1 | 0 | 0 | 0 | 118.5 | G8 | D6-G8 PolarHBondContact O-N 3.37Š| ||
| 7 | G | 44.8 | Very low | 51.4 | Low | 75 Ų | 75 | 141.2 Ų | 141.2 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -73.2 | 110.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | A9 | G7-A9 PolarHBondContact O-N 3.06Š| ||
| 8 | G | 46.9 | Very low | 52.1 | Low | 67 Ų | 67 | 142.5 Ų | 142.5 | 69% | 0.691 | 81% | 0.809 | S | S | * | * | trans | -52.2 | 128.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D6 K10 | D6-G8 PolarHBondContact O-N 3.37Å; G8-K10 PolarHBondContact O-N 3.05Å | ||
| 9 | A | 54.7 | Low | 52.6 | Low | 108 Ų | 108 | 140.1 Ų | 140.1 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | -58.3 | 100.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | G7 A11 | G7-A9 PolarHBondContact O-N 3.06Å; A9-A11 PolarHBondContact O-N 3.06Å; A9-A11 VanDerWaalsContact O-N 3.14Å | ||
| 10 | K | 54.3 | Low | 53.1 | Low | 206 Ų | 206 | 139.8 Ų | 139.8 | 90% | 0.896 | 79% | 0.791 | S | S | * | * | trans | -73.8 | 103.8 | 172.2 | -156.6 | -177 | -172.9 | 178.6 | 0 | 107.9 | G8 A12 | G8-K10 PolarHBondContact O-N 3.05Å; K10-A12 PolarHBondContact O-N 3.16Å | ||
| 11 | A | 60.5 | Low | 54.1 | Low | 92 Ų | 92 | 135.7 Ų | 135.7 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | trans | -49.6 | 127.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | A9 | A9-A11 PolarHBondContact O-N 3.06Å; A9-A11 VanDerWaalsContact O-N 3.14Å | ||
| 12 | A | 50.9 | Low | 55.4 | Low | 87 Ų | 87 | 128.8 Ų | 128.8 | 72% | 0.719 | 74% | 0.743 | S | S | * | * | trans | -60.4 | 144.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | K10 S14 | K10-A12 PolarHBondContact O-N 3.16Å; A12-S14 PolarHBondContact O-N 3.49Å | ||
| 13 | P | 52.5 | Low | 56.5 | Low | 128 Ų | 128 | 127.4 Ų | 127.4 | 83% | 0.831 | 74% | 0.736 | S | S | * | * | trans | -62.5 | 110.9 | 175.5 | 24.4 | -30.9 | 0 | 0 | 0 | 109.2 | H15 | P13-H15 PolarHBondContact O-N 3.22Š| ||
| 14 | S | 53.2 | Low | 57.9 | Low | 82 Ų | 82 | 125.1 Ų | 125.1 | 57% | 0.573 | 71% | 0.71 | S | S | * | * | trans | -59.8 | 105.4 | 172.6 | 45.8 | 0 | 0 | 0 | 0 | 108.6 | A12 H16 | A12-S14 PolarHBondContact O-N 3.49Å; S14-H16 VanDerWaalsContact C-N 3.28Å; S14-H16 PolarHBondContact O-N 3.45Å; S14-H16 PolarHBondContact OG-CE1 3.33Å; S14-H16 PolarHBondContact OG-NE2 3.2Å | ||
| 15 | H | 50.8 | Low | 59.3 | Low | 162 Ų | 162 | 117.6 Ų | 117.6 | 75% | 0.75 | 69% | 0.687 | S | S | * | * | trans | -65.3 | 89.7 | 177 | -161.6 | -75.3 | 0 | 0 | 0 | 108.3 | P13 K17 | P13-H15 PolarHBondContact O-N 3.22Å; H15-K17 PolarHBondContact O-N 3.01Å | ||
| 16 | H | 59.6 | Low | 60.4 | Low | 161 Ų | 161 | 115.2 Ų | 115.2 | 75% | 0.745 | 68% | 0.68 | S | S | * | * | trans | -67.5 | 79.9 | 171.8 | -63.6 | -46.3 | 0 | 0 | 0 | 108.5 | S14 I18 | S14-H16 VanDerWaalsContact C-N 3.28Å; S14-H16 PolarHBondContact O-N 3.45Å; S14-H16 PolarHBondContact OG-CE1 3.33Å; S14-H16 PolarHBondContact OG-NE2 3.2Å; H16-I18 PolarHBondContact O-N 3.45Å | ||
| 17 | K | 55.5 | Low | 62 | Low | 155 Ų | 155 | 111.5 Ų | 111.5 | 67% | 0.674 | 66% | 0.66 | S | S | * | * | trans | -55.5 | 131.4 | 157.9 | -71.5 | 164.9 | 165.2 | 175.3 | 0 | 105.7 | H15 S19 | H15-K17 PolarHBondContact O-N 3.01Å; K17-S19 PolarHBondContact O-N 3.43Å; K17-S19 PolarHBondContact O-OG 2.98Å | ||
| 18 | I | 62.9 | Low | 63.2 | Low | 165 Ų | 165 | 112.9 Ų | 112.9 | 85% | 0.846 | 66% | 0.655 | S | S | * | * | trans | -66.1 | 78 | 171 | -59.6 | 158.8 | 0 | 0 | 0 | 106.2 | H16 F20 | H16-I18 PolarHBondContact O-N 3.45Å; I18-F20 PolarHBondContact O-N 3.47Å; I18-F20 VanDerWaalsContact O-N 3.16Å | ||
| 19 | S | 61.3 | Low | 64.1 | Low | 97 Ų | 97 | 116 Ų | 116 | 68% | 0.678 | 65% | 0.652 | S | S | * | * | trans | -80.8 | 92.6 | 175.4 | -61.1 | 0 | 0 | 0 | 0 | 105.5 | K17 S21 | K17-S19 PolarHBondContact O-N 3.43Å; K17-S19 PolarHBondContact O-OG 2.98Å; S19-S21 PolarHBondContact O-N 3.35Å | ||
| 20 | F | 62.8 | Low | 64.8 | Low | 133 Ų | 133 | 115.8 Ų | 115.8 | 58% | 0.583 | 63% | 0.631 | S | S | * | * | trans | -81.6 | 99.2 | 172.6 | -151.5 | -109.5 | 0 | 0 | 0 | 107 | I18 I25 | I18-F20 PolarHBondContact O-N 3.47Å; I18-F20 VanDerWaalsContact O-N 3.16Å; F20-I25 HydrophobicContact CD1-CD1 3.92Å; F20-I25 HydrophobicContact CD1-CG1 3.9Å; F20-I25 HydrophobicContact CE1-CD1 3.52Å; F20-I25 HydrophobicContact CE1-CG1 3.22Å; F20-I25 HydrophobicContact CZ-CG1 3.91Å | ||
| 21 | S | 74 | Confident | 65.1 | Low | 54 Ų | 54 | 113.4 Ų | 113.4 | 38% | 0.378 | 62% | 0.621 | S | S | . | * | trans | -75.9 | 145.1 | 174.1 | -174.4 | 0 | 0 | 0 | 0 | 108.9 | S19 L23 D24 | S19-S21 PolarHBondContact O-N 3.35Å; S21-L23 PolarHBondContact O-N 3.12Å; S21-L23 VanDerWaalsContact O-N 3.11Å; S21-L23 PolarHBondContact OG-N 3.49Å; S21-D24 VanDerWaalsContact CB-OD2 3.27Å; S21-D24 WeakPolarHBondContact CB-OD2 3.39Å; S21-D24 PolarHBondContact N-OD2 3.47Å; S21-D24 VanDerWaalsContact O-CB 3.28Å; S21-D24 WeakPolarHBondContact O-CB 3.29Å; S21-D24 PolarHBondContact O-N 3.03Å | ||
| 22 | V | 70.6 | Confident | 65.2 | Low | 100 Ų | 100 | 113.7 Ų | 113.7 | 61% | 0.606 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -56.4 | -28.2 | 171.6 | 167.2 | 0 | 0 | 0 | 0 | 111 | D24 I25 L26 | V22-D24 VanDerWaalsContact C-N 3.31Å; V22-D24 PolarHBondContact O-N 3.06Å; V22-I25 PolarHBondContact O-N 2.96Å; V22-L26 HydrophobicContact CG1-CD1 4.36Å |
| 23 | L | 72.1 | Confident | 65.6 | Low | 132 Ų | 132 | 120 Ų | 120 | 69% | 0.691 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.9 | -30 | 174.9 | -77.3 | 75.2 | 0 | 0 | 0 | 112.5 | S21 I25 L26 D27 | S21-L23 PolarHBondContact O-N 3.12Å; S21-L23 VanDerWaalsContact O-N 3.11Å; S21-L23 PolarHBondContact OG-N 3.49Å; L23-I25 PolarHBondContact O-N 3.35Å; L23-L26 PolarHBondContact O-N 3.35Å; L23-D27 PolarHBondContact O-N 3.29Å; L23-D27 VanDerWaalsContact O-N 3.16Å |
| 24 | D | 77.9 | Confident | 65.7 | Low | 49 Ų | 49 | 118.2 Ų | 118.2 | 26% | 0.262 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -65.8 | -27.6 | 175.4 | -72.6 | -68.1 | 0 | 0 | 0 | 112.6 | S21 V22 L26 K30 | S21-D24 VanDerWaalsContact CB-OD2 3.27Å; S21-D24 WeakPolarHBondContact CB-OD2 3.39Å; S21-D24 PolarHBondContact N-OD2 3.47Å; S21-D24 VanDerWaalsContact O-CB 3.28Å; S21-D24 WeakPolarHBondContact O-CB 3.29Å; S21-D24 PolarHBondContact O-N 3.03Å; V22-D24 VanDerWaalsContact C-N 3.31Å; V22-D24 PolarHBondContact O-N 3.06Å; D24-L26 VanDerWaalsContact C-N 3.34Å; D24-K30 HydrophobicContact CB-CD 3.97Å; D24-K30 WeakPolarHBondContact O-CD 3.47Å; D24-K30 WeakPolarHBondContact OD1-CE 3.34Å |
| 25 | I | 80.4 | Confident | 65.9 | Low | 89 Ų | 89 | 118.5 Ų | 118.5 | 46% | 0.456 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -75.8 | -30.6 | 178.8 | -59.2 | 171.1 | 0 | 0 | 0 | 110.8 | F20 V22 L23 | F20-I25 HydrophobicContact CD1-CD1 3.92Å; F20-I25 HydrophobicContact CD1-CG1 3.9Å; F20-I25 HydrophobicContact CE1-CD1 3.52Å; F20-I25 HydrophobicContact CE1-CG1 3.22Å; F20-I25 HydrophobicContact CZ-CG1 3.91Å; V22-I25 PolarHBondContact O-N 2.96Å; L23-I25 PolarHBondContact O-N 3.35Å |
| 26 | L | 75.9 | Confident | 65.9 | Low | 132 Ų | 132 | 118.9 Ų | 118.9 | 69% | 0.691 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -94.8 | -4.9 | -174.8 | -66 | 171.9 | 0 | 0 | 0 | 112.9 | V22 L23 D24 P28 | V22-L26 HydrophobicContact CG1-CD1 4.36Å; L23-L26 PolarHBondContact O-N 3.35Å; D24-L26 VanDerWaalsContact C-N 3.34Å; L26-P28 WeakPolarHBondContact O-CD 3.36Å |
| 27 | D | 79.9 | Confident | 65.5 | Low | 68 Ų | 68 | 116.7 Ų | 116.7 | 36% | 0.364 | 63% | 0.628 | S | S | . | * | trans | -73.2 | 109.3 | 175.8 | -177.3 | -3 | 0 | 0 | 0 | 110.7 | L23 Q29 K30 | L23-D27 PolarHBondContact O-N 3.29Å; L23-D27 VanDerWaalsContact O-N 3.16Å; D27-Q29 PolarHBondContact O-N 3.03Å; D27-Q29 WeakPolarHBondContact OD1-CB 3.25Å; D27-Q29 PolarHBondContact OD1-N 3.27Å; D27-K30 HydrophobicContact CB-CB 4.07Å; D27-K30 PolarHBondContact O-N 3.27Å | ||
| 28 | P | 70.4 | Confident | 65.2 | Low | 104 Ų | 104 | 113.8 Ų | 113.8 | 68% | 0.675 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -17.6 | -178.9 | 30 | -35.6 | 0 | 0 | 0 | 113 | L26 | L26-P28 WeakPolarHBondContact O-CD 3.36Š|
| 29 | Q | 66.8 | Low | 64.4 | Low | 131 Ų | 131 | 112.4 Ų | 112.4 | 61% | 0.612 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -16.9 | 177.7 | -71.1 | -126.4 | -50.9 | 0 | 0 | 113.4 | D27 F31 T32 | D27-Q29 PolarHBondContact O-N 3.03Å; D27-Q29 WeakPolarHBondContact OD1-CB 3.25Å; D27-Q29 PolarHBondContact OD1-N 3.27Å; Q29-F31 VanDerWaalsContact C-N 3.27Å; Q29-F31 PolarHBondContact O-N 2.92Å; Q29-T32 WeakPolarHBondContact CA-OG1 3.39Å; Q29-T32 PolarHBondContact O-N 3.12Å; Q29-T32 PolarHBondContact O-OG1 2.88Å |
| 30 | K | 67.8 | Low | 64.1 | Low | 104 Ų | 104 | 119 Ų | 119 | 45% | 0.452 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.9 | -24.7 | -176.3 | -153.7 | 176 | -164 | -83.3 | 0 | 113.3 | D24 D27 | D24-K30 HydrophobicContact CB-CD 3.97Å; D24-K30 WeakPolarHBondContact O-CD 3.47Å; D24-K30 WeakPolarHBondContact OD1-CE 3.34Å; D27-K30 HydrophobicContact CB-CB 4.07Å; D27-K30 PolarHBondContact O-N 3.27Å |
| 31 | F | 60.8 | Low | 63.2 | Low | 156 Ų | 156 | 118.5 Ų | 118.5 | 68% | 0.684 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | -10.9 | 178.3 | -64.3 | -79.6 | 0 | 0 | 0 | 114 | Q29 | Q29-F31 VanDerWaalsContact C-N 3.27Å; Q29-F31 PolarHBondContact O-N 2.92Å |
| 32 | T | 63.3 | Low | 61.6 | Low | 99 Ų | 99 | 120.1 Ų | 120.1 | 61% | 0.607 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -9.2 | -177.6 | 55.4 | 0 | 0 | 0 | 0 | 113.7 | Q29 A34 | Q29-T32 WeakPolarHBondContact CA-OG1 3.39Å; Q29-T32 PolarHBondContact O-N 3.12Å; Q29-T32 PolarHBondContact O-OG1 2.88Å; T32-A34 PolarHBondContact O-N 3.44Å |
| 33 | R | 59.5 | Low | 60.3 | Low | 220 Ų | 220 | 121.5 Ų | 121.5 | 83% | 0.83 | 68% | 0.68 | S | S | * | * | trans | -84 | 26.6 | 177.4 | -72.8 | -172.8 | 91.9 | 167.1 | 7.5 | 114.9 | A35 | R33-A35 PolarHBondContact O-N 3.13Š| ||
| 34 | A | 54.3 | Low | 59.2 | Low | 89 Ų | 89 | 127 Ų | 127 | 74% | 0.736 | 69% | 0.692 | S | S | * | * | trans | -72.7 | 102.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | T32 | T32-A34 PolarHBondContact O-N 3.44Š| ||
| 35 | A | 57.2 | Low | 57.8 | Low | 89 Ų | 89 | 133 Ų | 133 | 74% | 0.736 | 72% | 0.718 | S | S | * | * | trans | 48.2 | 89.9 | 147.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | R33 | R33-A35 PolarHBondContact O-N 3.13Š| ||
| 36 | L | 51.7 | Low | 55.9 | Low | 169 Ų | 169 | 133.7 Ų | 133.7 | 89% | 0.885 | 74% | 0.737 | S | S | * | * | trans | -75.5 | 127.2 | 144.4 | -66.7 | 179 | 0 | 0 | 0 | 107.7 | A38 | L36-A38 PolarHBondContact O-N 3.17Å; L36-A38 VanDerWaalsContact O-N 3.16Å | ||
| 37 | P | 50.4 | Low | 54.5 | Low | 115 Ų | 115 | 137.9 Ų | 137.9 | 75% | 0.747 | 74% | 0.744 | S | S | * | * | trans | -64.2 | 118.9 | 175.2 | 25.9 | -31.6 | 0 | 0 | 0 | 108.8 | V39 | P37-V39 PolarHBondContact O-N 2.74Š| ||
| 38 | A | 48.7 | Very low | 52.6 | Low | 94 Ų | 94 | 144 Ų | 144 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | trans | -59.2 | 112.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | L36 R40 | L36-A38 PolarHBondContact O-N 3.17Å; L36-A38 VanDerWaalsContact O-N 3.16Å; A38-R40 PolarHBondContact O-N 2.88Å | ||
| 39 | V | 47.7 | Very low | 51.2 | Low | 137 Ų | 137 | 144.1 Ų | 144.1 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | trans | -57.3 | 110.5 | 168 | 173.7 | 0 | 0 | 0 | 0 | 107.1 | P37 P41 | P37-V39 PolarHBondContact O-N 2.74Å; V39-P41 VanDerWaalsContact O-CD 3.29Å; V39-P41 WeakPolarHBondContact O-CD 3.46Å | ||
| 40 | R | 53.4 | Low | 50 | Low | 234 Ų | 234 | 145.6 Ų | 145.6 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 120.9 | 171.6 | -68.6 | 174.3 | 69.6 | 179.5 | 2.3 | 108.2 | A38 | A38-R40 PolarHBondContact O-N 2.88Š|
| 41 | P | 43.9 | Very low | 48.6 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 140.5 | 160.3 | 28.9 | -29.2 | 0 | 0 | 0 | 109.8 | V39 | V39-P41 VanDerWaalsContact O-CD 3.29Å; V39-P41 WeakPolarHBondContact O-CD 3.46Å |
| 42 | A | 41.7 | Very low | 47.8 | Very low | 87 Ų | 87 | 145.1 Ų | 145.1 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 155.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | R44 | A42-R44 PolarHBondContact O-N 3.32Š|
| 43 | P | 43.4 | Very low | 47.3 | Very low | 129 Ų | 129 | 148.1 Ų | 148.1 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 121.5 | 178.3 | 31.5 | -30 | 0 | 0 | 0 | 109.2 | ||
| 44 | R | 47.2 | Very low | 46.5 | Very low | 248 Ų | 248 | 145.4 Ų | 145.4 | 94% | 0.936 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 125.6 | 166 | -85.7 | -171.3 | 161.1 | 136.6 | -2 | 109.4 | A42 | A42-R44 PolarHBondContact O-N 3.32Š|
| 45 | E | 48.7 | Very low | 45.8 | Very low | 174 Ų | 174 | 145.4 Ų | 145.4 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 134 | 174.7 | -55.4 | -180 | 155.1 | 0 | 0 | 112.4 | ||
| 46 | A | 41.3 | Very low | 44.9 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -121.6 | 101.1 | 156.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 47 | R | 47.4 | Very low | 44.3 | Very low | 220 Ų | 220 | 146.1 Ų | 146.1 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | trans | -74.6 | 134.9 | 167.2 | -57.3 | 173.3 | 104.4 | -176.5 | 6.2 | 108.4 | ||||
| 48 | K | 39.5 | Very low | 43.6 | Very low | 197 Ų | 197 | 147.5 Ų | 147.5 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | trans | 159.5 | 103 | 144.5 | -90.8 | 160 | 179.5 | -176.5 | 0 | 108.7 | ||||
| 49 | S | 41.4 | Very low | 43 | Very low | 106 Ų | 106 | 147.5 Ų | 147.5 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | 81.2 | 131 | 104.7 | 72.6 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 50 | L | 40.1 | Very low | 42.4 | Very low | 162 Ų | 162 | 146.1 Ų | 146.1 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | cis | 177.1 | 146.4 | 40.6 | -176 | 64.4 | 0 | 0 | 0 | 107.8 | ||||
| 51 | A | 39.8 | Very low | 41.3 | Very low | 88 Ų | 88 | 139.5 Ų | 139.5 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | 67.6 | 113.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 52 | E | 42.7 | Very low | 41 | Very low | 162 Ų | 162 | 144.9 Ų | 144.9 | 76% | 0.757 | 80% | 0.797 | S | S | * | * | cis | 69.6 | 114.6 | 37.1 | -150.9 | 169.1 | 158.7 | 0 | 0 | 114.3 | ||||
| 53 | I | 54.3 | Low | 40.7 | Very low | 162 Ų | 162 | 147.9 Ų | 147.9 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | trans | 174 | 90 | 151.2 | -83.4 | 154.7 | 0 | 0 | 0 | 102 | ||||
| 54 | E | 42.1 | Very low | 41.1 | Very low | 163 Ų | 163 | 146.9 Ų | 146.9 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | 39.2 | 135.4 | 83.8 | -83 | -163.7 | 136.5 | 0 | 0 | 112.6 | |||||
| 55 | A | 38.5 | Very low | 40.5 | Very low | 90 Ų | 90 | 140.4 Ų | 140.4 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | cis | -160.7 | 144.8 | 8.5 | 0 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 56 | G | 38.4 | Very low | 39.8 | Very low | 70 Ų | 70 | 142.3 Ų | 142.3 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | 77.3 | 105.5 | 75.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 57 | K | 40.6 | Very low | 39.6 | Very low | 203 Ų | 203 | 146.4 Ų | 146.4 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -163.4 | 129.9 | 146 | -150.6 | 65.6 | 172.3 | 179.5 | 0 | 114.1 | ||||
| 58 | D | 35.3 | Very low | 39.3 | Very low | 143 Ų | 143 | 143.4 Ų | 143.4 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | trans | -74.3 | 178.8 | -177.3 | -53.6 | -85.8 | 0 | 0 | 0 | 116.5 | ||||
| 59 | A | 35.5 | Very low | 39.2 | Very low | 94 Ų | 94 | 143.4 Ų | 143.4 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | trans | 86.3 | 113.8 | 155.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 60 | S | 35.3 | Very low | 39.2 | Very low | 109 Ų | 109 | 144.3 Ų | 144.3 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | 76.3 | 129.4 | 69 | -170.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 61 | S | 31.4 | Very low | 39.8 | Very low | 95 Ų | 95 | 142.4 Ų | 142.4 | 66% | 0.664 | 78% | 0.784 | S | S | * | * | trans | 89.4 | 124.7 | 149.8 | -74.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 62 | R | 35.8 | Very low | 39.5 | Very low | 237 Ų | 237 | 145.6 Ų | 145.6 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | 80.5 | 110.2 | 129.7 | -79.3 | 175.7 | 163.4 | 171.4 | -5.5 | 119.7 | |||||
| 63 | D | 36.3 | Very low | 39.1 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -39.7 | 159.1 | 134.1 | -84.3 | -73.5 | 0 | 0 | 0 | 112.9 | ||||
| 64 | P | 51.4 | Low | 38.3 | Very low | 109 Ų | 109 | 139 Ų | 139 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | cis | -158.2 | -169.9 | 43.3 | 44.9 | -22.7 | 0 | 0 | 0 | 118.1 | ||||
| 65 | V | 34.8 | Very low | 37.9 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 67% | 0.673 | 79% | 0.785 | S | S | * | * | trans | 96.3 | 114.8 | 143.1 | 163.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 66 | R | 35 | Very low | 38.5 | Very low | 215 Ų | 215 | 137 Ų | 137 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | 48.3 | 128.9 | 132.3 | -59 | -178.7 | 163.4 | 124.5 | -3.5 | 123 | ||||
| 67 | Q | 36.4 | Very low | 38.3 | Very low | 190 Ų | 190 | 137.5 Ų | 137.5 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -164.4 | 112.2 | 131.6 | -99.8 | 162 | -8 | 0 | 0 | 104.2 | ||||
| 68 | L | 41.1 | Very low | 38.3 | Very low | 157 Ų | 157 | 133.3 Ų | 133.3 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | 52.3 | 95.5 | 50.9 | -147.6 | 94.2 | 0 | 0 | 0 | 112.7 | |||||
| 69 | E | 36.1 | Very low | 38.2 | Very low | 197 Ų | 197 | 129.5 Ų | 129.5 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | -155 | 124 | 135.3 | -70.8 | -148.7 | 107.8 | 0 | 0 | 110.6 | ||||
| 70 | T | 42.8 | Very low | 38.2 | Very low | 124 Ų | 124 | 134.6 Ų | 134.6 | 76% | 0.761 | 80% | 0.803 | S | S | * | * | trans | -84.9 | 161.9 | 158.7 | 44.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 71 | P | 52.7 | Low | 38.2 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | -141.5 | 140.1 | 90.4 | 24.9 | -3.9 | 0 | 0 | 0 | 112 | |||||
| 72 | D | 32.1 | Very low | 38.7 | Very low | 155 Ų | 155 | 135.2 Ų | 135.2 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | 79.4 | 138 | 70.3 | -157.4 | -106.2 | 0 | 0 | 0 | 115.2 | |||||
| 73 | A | 35.5 | Very low | 39.4 | Very low | 84 Ų | 84 | 129.3 Ų | 129.3 | 69% | 0.694 | 81% | 0.806 | S | S | * | * | trans | 83.6 | 99.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 74 | A | 38 | Very low | 39.7 | Very low | 103 Ų | 103 | 130.2 Ų | 130.2 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | 144.3 | 108.9 | 109.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 75 | G | 32.5 | Very low | 39 | Very low | 71 Ų | 71 | 134.5 Ų | 134.5 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | trans | -92.4 | -159.8 | 149.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 76 | P | 51.9 | Low | 38.9 | Very low | 139 Ų | 139 | 132.3 Ų | 132.3 | 90% | 0.903 | 82% | 0.821 | S | S | * | * | cis | -128.1 | 175.5 | -31.3 | 36.6 | -20.5 | 0 | 0 | 0 | 110.6 | ||||
| 77 | G | 33.8 | Very low | 39.4 | Very low | 81 Ų | 81 | 127.5 Ų | 127.5 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | trans | 178.5 | 105.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 78 | A | 39.9 | Very low | 39.4 | Very low | 114 Ų | 114 | 127.6 Ų | 127.6 | 94% | 0.942 | 82% | 0.82 | S | S | * | * | trans | -85.2 | 156.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 79 | G | 34.1 | Very low | 39.3 | Very low | 63 Ų | 63 | 124.3 Ų | 124.3 | 65% | 0.649 | 82% | 0.816 | S | S | * | * | trans | 150.3 | 94.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 80 | Q | 36 | Very low | 39.5 | Very low | 201 Ų | 201 | 123.8 Ų | 123.8 | 94% | 0.939 | 81% | 0.814 | S | S | * | * | 56.4 | 112.2 | 96 | -68.6 | -162.6 | 75.4 | 0 | 0 | 114.5 | |||||
| 81 | A | 34.8 | Very low | 39.5 | Very low | 101 Ų | 101 | 127.2 Ų | 127.2 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | 154.5 | 113.3 | 125.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 82 | S | 42.2 | Very low | 39.1 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 81% | 0.811 | 83% | 0.827 | S | S | * | * | trans | -66.2 | 157.4 | 148.8 | -47.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 83 | P | 50.2 | Low | 39.7 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 73% | 0.734 | 83% | 0.831 | S | S | * | * | -155.9 | 153.3 | 81.2 | 29.2 | -5 | 0 | 0 | 0 | 119.2 | |||||
| 84 | L | 41.6 | Very low | 39.8 | Very low | 168 Ų | 168 | 136.2 Ų | 136.2 | 88% | 0.88 | 84% | 0.838 | S | S | * | * | trans | 50.4 | 118.8 | 138.7 | -78.8 | 147.5 | 0 | 0 | 0 | 123.7 | ||||
| 85 | E | 37.9 | Very low | 40.1 | Very low | 199 Ų | 199 | 135.5 Ų | 135.5 | 93% | 0.93 | 83% | 0.833 | S | S | * | * | trans | 150 | 131.4 | 131.3 | -94.9 | -159.7 | 96.5 | 0 | 0 | 106.8 | ||||
| 86 | G | 31.6 | Very low | 40.5 | Very low | 66 Ų | 66 | 141.4 Ų | 141.4 | 68% | 0.68 | 84% | 0.841 | S | S | * | * | cis | 174 | 175.9 | 7.1 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 87 | S | 45.8 | Very low | 40.2 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 79% | 0.79 | 84% | 0.835 | S | S | * | * | trans | 91.3 | 79 | 167.4 | -55 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 88 | E | 36.7 | Very low | 41.1 | Very low | 192 Ų | 192 | 143.2 Ų | 143.2 | 90% | 0.897 | 83% | 0.83 | S | S | * | * | 16.8 | 120.1 | 121.3 | 27.2 | -179.8 | 82.8 | 0 | 0 | 118.9 | |||||
| 89 | A | 38.6 | Very low | 40.7 | Very low | 89 Ų | 89 | 140.9 Ų | 140.9 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | 162.1 | 112.7 | 114.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 90 | E | 41.8 | Very low | 41 | Very low | 185 Ų | 185 | 149 Ų | 149 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | trans | 37.8 | 119.5 | 134.5 | -46.3 | -174 | 158.3 | 0 | 0 | 120 | ||||
| 91 | E | 42.7 | Very low | 41.6 | Very low | 197 Ų | 197 | 143.2 Ų | 143.2 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | 175.3 | 150.1 | 115.4 | -90.7 | 175 | -176.5 | 0 | 0 | 111.9 | |||||
| 92 | E | 43.4 | Very low | 41.6 | Very low | 196 Ų | 196 | 149.4 Ų | 149.4 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | trans | -71.6 | 153.8 | -158 | -65.6 | 175.5 | 130.9 | 0 | 0 | 116.9 | ||||
| 93 | E | 44.3 | Very low | 41.3 | Very low | 195 Ų | 195 | 155.2 Ų | 155.2 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | trans | -66.5 | 137 | 168.7 | -72.5 | -171.5 | 120.7 | 0 | 0 | 112.7 | ||||
| 94 | D | 38.7 | Very low | 40.6 | Very low | 159 Ų | 159 | 160.8 Ų | 160.8 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | trans | -148.2 | 117.9 | 141.9 | -162.8 | -122.8 | 0 | 0 | 0 | 112.1 | ||||
| 95 | A | 43.8 | Very low | 40.2 | Very low | 88 Ų | 88 | 161.3 Ų | 161.3 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | trans | 52.9 | 122.9 | 146.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 96 | E | 39.8 | Very low | 40.3 | Very low | 194 Ų | 194 | 163.3 Ų | 163.3 | 91% | 0.907 | 82% | 0.817 | S | S | * | * | trans | -67.2 | 137.6 | -177.7 | -58.5 | 177.5 | 92.1 | 0 | 0 | 116.2 | ||||
| 97 | D | 46.6 | Very low | 40.4 | Very low | 147 Ų | 147 | 164.6 Ų | 164.6 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | trans | -88.4 | 135.5 | 149.4 | 173.5 | 57.1 | 0 | 0 | 0 | 108.2 | G99 | D97-G99 PolarHBondContact OD1-N 3.47Š| ||
| 98 | P | 52.2 | Low | 39.9 | Very low | 112 Ų | 112 | 163.4 Ų | 163.4 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | -147.8 | 136.1 | 113 | 29.8 | -10.7 | 0 | 0 | 0 | 116 | |||||
| 99 | G | 32.2 | Very low | 40 | Very low | 64 Ų | 64 | 164.9 Ų | 164.9 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | trans | -58.1 | 144.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | D97 | D97-G99 PolarHBondContact OD1-N 3.47Š| ||
| 100 | R | 40.1 | Very low | 39.9 | Very low | 233 Ų | 233 | 167.7 Ų | 167.7 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | -65.2 | -177.4 | 164.4 | -122.8 | -170.6 | 165.7 | -120.4 | -0.7 | 112 | ||||
| 101 | P | 49.7 | Very low | 39.9 | Very low | 81 Ų | 81 | 166.1 Ų | 166.1 | 53% | 0.526 | 82% | 0.815 | S | S | . | * | cis | -135.9 | 173.3 | -21 | 27.2 | -5.4 | 0 | 0 | 0 | 113.8 | ||||
| 102 | R | 34.2 | Very low | 40 | Very low | 231 Ų | 231 | 162.5 Ų | 162.5 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | 164.4 | 129.8 | 117.6 | -90.6 | -177.4 | -178.6 | -173.3 | 2.9 | 116.1 | |||||
| 103 | R | 35 | Very low | 39.6 | Very low | 237 Ų | 237 | 156.5 Ų | 156.5 | 89% | 0.894 | 80% | 0.799 | S | S | * | * | 78.3 | 92.5 | 124.9 | -164.3 | -174.2 | -169.2 | -139.3 | 3.8 | 119.7 | |||||
| 104 | R | 35.1 | Very low | 39.8 | Very low | 231 Ų | 231 | 153.5 Ų | 153.5 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | -170.3 | 141.4 | 136.5 | -105.7 | 174.5 | 172.4 | 177.6 | -4 | 104.7 | ||||
| 105 | E | 34.7 | Very low | 39.9 | Very low | 178 Ų | 178 | 150.6 Ų | 150.6 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | cis | -166.4 | 165.5 | 40.1 | -137.5 | 163.1 | 125.7 | 0 | 0 | 110.6 | ||||
| 106 | R | 40 | Very low | 39.6 | Very low | 241 Ų | 241 | 157.8 Ų | 157.8 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -118.3 | 120.2 | -179.5 | 168.7 | -170.6 | -178.1 | -132.6 | 3.5 | 107.4 | ||||
| 107 | A | 33.1 | Very low | 39.6 | Very low | 93 Ų | 93 | 154.1 Ų | 154.1 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -179.3 | 111.9 | 154.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 108 | A | 36.1 | Very low | 39.9 | Very low | 89 Ų | 89 | 152 Ų | 152 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | 98.1 | 153.3 | 76.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 109 | R | 37.8 | Very low | 39.1 | Very low | 223 Ų | 223 | 154.3 Ų | 154.3 | 84% | 0.842 | 80% | 0.799 | S | S | * | * | trans | 102.6 | 92.9 | 170.6 | -51.5 | -80.2 | 164.3 | -166.4 | -4.3 | 113.6 | ||||
| 110 | L | 37.3 | Very low | 39.4 | Very low | 147 Ų | 147 | 155.1 Ų | 155.1 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | 75.5 | 127.7 | 73.5 | -79.5 | 169.1 | 0 | 0 | 0 | 116 | |||||
| 111 | L | 41.8 | Very low | 39.7 | Very low | 153 Ų | 153 | 150.2 Ų | 150.2 | 80% | 0.801 | 80% | 0.798 | S | S | * | * | trans | 103.9 | 159.2 | 156.5 | -51 | -170.5 | 0 | 0 | 0 | 117.7 | ||||
| 112 | P | 43.9 | Very low | 39.1 | Very low | 121 Ų | 121 | 151.3 Ų | 151.3 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | -124.8 | 177.8 | -99.3 | 23 | 3.6 | 0 | 0 | 0 | 112.8 | |||||
| 113 | G | 34.4 | Very low | 39 | Very low | 70 Ų | 70 | 144 Ų | 144 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | trans | -67.9 | -175.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 114 | P | 49.8 | Very low | 38.9 | Very low | 132 Ų | 132 | 136.9 Ų | 136.9 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | -137.4 | 148.6 | 120.7 | 35.4 | -22.7 | 0 | 0 | 0 | 114.4 | |||||
| 115 | A | 40.1 | Very low | 39 | Very low | 98 Ų | 98 | 133.8 Ų | 133.8 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -62.9 | 146.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 116 | R | 37 | Very low | 39.2 | Very low | 239 Ų | 239 | 130.2 Ų | 130.2 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -159 | 96.3 | 157 | -128.9 | 173.6 | 167.1 | -167.3 | -4.9 | 111.4 | ||||
| 117 | S | 41.2 | Very low | 39.2 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -79.2 | 149.6 | 138 | -66.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 118 | P | 52.7 | Low | 39.4 | Very low | 102 Ų | 102 | 123.9 Ų | 123.9 | 66% | 0.662 | 80% | 0.802 | S | S | * | * | -148.5 | 157.5 | 106 | 36.3 | -18.7 | 0 | 0 | 0 | 115.2 | |||||
| 119 | D | 34.2 | Very low | 39.6 | Very low | 161 Ų | 161 | 128.2 Ų | 128.2 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | trans | 58.5 | 140.8 | 145.1 | -87.1 | -82.2 | 0 | 0 | 0 | 125 | ||||
| 120 | A | 38.6 | Very low | 39.7 | Very low | 81 Ų | 81 | 123.1 Ų | 123.1 | 67% | 0.669 | 80% | 0.803 | S | S | * | * | trans | -69.6 | -179.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 121 | P | 46.8 | Very low | 39.6 | Very low | 130 Ų | 130 | 122.6 Ų | 122.6 | 84% | 0.844 | 81% | 0.81 | S | S | * | * | -136.4 | 150.9 | 103.6 | 35.4 | -24.2 | 0 | 0 | 0 | 114.9 | |||||
| 122 | A | 36.6 | Very low | 39.7 | Very low | 103 Ų | 103 | 124.2 Ų | 124.2 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | trans | -79.7 | 157.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 123 | G | 32.4 | Very low | 39.3 | Very low | 78 Ų | 78 | 126.4 Ų | 126.4 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | 119.9 | 129.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 124 | A | 33.6 | Very low | 39.7 | Very low | 87 Ų | 87 | 126.1 Ų | 126.1 | 72% | 0.719 | 82% | 0.815 | S | S | * | * | cis | -165.1 | 143.6 | 14.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 125 | L | 37.9 | Very low | 39.3 | Very low | 167 Ų | 167 | 124.1 Ų | 124.1 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | 48.7 | 113.2 | 132.4 | -52.1 | 171.2 | 0 | 0 | 0 | 119.7 | ||||
| 126 | A | 37.1 | Very low | 39 | Very low | 103 Ų | 103 | 123.4 Ų | 123.4 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | trans | -154.7 | 109.3 | 134.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 127 | S | 41 | Very low | 38.9 | Very low | 125 Ų | 125 | 115.7 Ų | 115.7 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | -60 | 149.3 | 172.6 | -49.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 128 | G | 37.1 | Very low | 39.7 | Very low | 76 Ų | 76 | 116.1 Ų | 116.1 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | trans | -166.3 | 79.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 129 | E | 39.6 | Very low | 39.2 | Very low | 179 Ų | 179 | 118.5 Ų | 118.5 | 84% | 0.836 | 83% | 0.828 | S | S | * | * | trans | -14.3 | 140.6 | 163.7 | -56 | -101 | 89.6 | 0 | 0 | 117.9 | ||||
| 130 | P | 40.3 | Very low | 39.4 | Very low | 117 Ų | 117 | 114.4 Ų | 114.4 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | trans | -92.1 | 126.4 | 169.6 | 33.8 | -26 | 0 | 0 | 0 | 111.4 | ||||
| 131 | C | 35.3 | Very low | 39.6 | Very low | 136 Ų | 136 | 116.1 Ų | 116.1 | 92% | 0.919 | 83% | 0.831 | S | S | * | * | trans | -89.9 | 111 | 163.8 | -72.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 132 | E | 43.6 | Very low | 39.9 | Very low | 187 Ų | 187 | 115.9 Ų | 115.9 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | trans | -74.5 | 141 | 154.4 | -53.4 | -151.7 | 114.1 | 0 | 0 | 108.8 | ||||
| 133 | D | 35.8 | Very low | 40.7 | Very low | 167 Ų | 167 | 117.2 Ų | 117.2 | 89% | 0.893 | 83% | 0.829 | S | S | * | * | trans | -157.1 | 127.3 | 147.5 | -164.6 | -118.7 | 0 | 0 | 0 | 110.1 | ||||
| 134 | G | 42.3 | Very low | 41 | Very low | 63 Ų | 63 | 116.9 Ų | 116.9 | 65% | 0.649 | 83% | 0.826 | S | S | * | * | trans | -106 | 153.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 135 | G | 43.2 | Very low | 41.4 | Very low | 91 Ų | 91 | 118.6 Ų | 118.6 | 94% | 0.938 | 83% | 0.833 | S | S | * | * | trans | 68.9 | 120.4 | 138.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 136 | G | 33.3 | Very low | 42.1 | Very low | 82 Ų | 82 | 117 Ų | 117 | 85% | 0.845 | 83% | 0.832 | S | S | * | * | trans | 143.9 | 112.8 | 148.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 137 | G | 34.2 | Very low | 42.7 | Very low | 77 Ų | 77 | 115.8 Ų | 115.8 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | trans | -87.6 | -167.9 | 151.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 138 | P | 59 | Low | 43 | Very low | 127 Ų | 127 | 115.2 Ų | 115.2 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | cis | -139.1 | -169.8 | 0.5 | 39.7 | -19 | 0 | 0 | 0 | 115.3 | ||||
| 139 | V | 42.7 | Very low | 43.5 | Very low | 152 Ų | 152 | 117.6 Ų | 117.6 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | trans | 93.4 | 131.6 | 151 | 101.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 140 | G | 38 | Very low | 44.1 | Very low | 74 Ų | 74 | 120.1 Ų | 120.1 | 76% | 0.763 | 83% | 0.829 | S | S | * | * | trans | 143.8 | 93.3 | 159.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 141 | S | 41.7 | Very low | 44.5 | Very low | 118 Ų | 118 | 120.3 Ų | 120.3 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | trans | -75.4 | 167.3 | 172.6 | -47.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 142 | P | 54.5 | Low | 45.3 | Very low | 125 Ų | 125 | 125.1 Ų | 125.1 | 81% | 0.812 | 83% | 0.829 | S | S | * | * | -147.1 | 178.6 | 77.6 | 34.3 | -11.5 | 0 | 0 | 0 | 115.5 | |||||
| 143 | P | 52.6 | Low | 45.7 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 84% | 0.844 | 83% | 0.831 | S | S | * | * | trans | -102.6 | 162.3 | -159.5 | 38.4 | -30.7 | 0 | 0 | 0 | 114.7 | ||||
| 144 | G | 37.5 | Very low | 46.6 | Very low | 72 Ų | 72 | 131.1 Ų | 131.1 | 74% | 0.742 | 83% | 0.831 | S | S | * | * | trans | 121.4 | 101.9 | 154 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 145 | S | 43.8 | Very low | 47.1 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 86% | 0.86 | 84% | 0.841 | S | S | * | * | trans | 172.4 | 127.4 | 135.2 | -80.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 146 | P | 52.6 | Low | 47.4 | Very low | 133 Ų | 133 | 140.8 Ų | 140.8 | 86% | 0.864 | 83% | 0.834 | S | S | * | * | trans | -88.4 | 137 | 178 | 34.5 | -28.7 | 0 | 0 | 0 | 110.3 | ||||
| 147 | G | 48.9 | Very low | 48.6 | Very low | 78 Ų | 78 | 141.5 Ų | 141.5 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | 122.8 | 79.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 148 | S | 46.3 | Very low | 49.5 | Very low | 113 Ų | 113 | 143.6 Ų | 143.6 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | trans | -165.3 | 135.9 | 142.5 | -124.4 | 0 | 0 | 0 | 0 | 111.4 | R150 | S148-R150 PolarHBondContact O-N 3.24Š| ||
| 149 | P | 47.7 | Very low | 49.3 | Very low | 125 Ų | 125 | 143.6 Ų | 143.6 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 120.8 | -177.1 | 27 | -30.5 | 0 | 0 | 0 | 110.3 | ||
| 150 | R | 52.6 | Low | 49.9 | Very low | 233 Ų | 233 | 141.9 Ų | 141.9 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 131.5 | 174.9 | -69.6 | 178.5 | 162.5 | -163.9 | -5.6 | 110.5 | S148 R152 | S148-R150 PolarHBondContact O-N 3.24Å; R150-R152 PolarHBondContact O-N 2.85Å; R150-R152 VanDerWaalsContact O-N 3.15Å |
| 151 | P | 49.2 | Very low | 51.1 | Low | 121 Ų | 121 | 141.1 Ų | 141.1 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 121.3 | 168.6 | 26.8 | -30.1 | 0 | 0 | 0 | 107.4 | R153 | P151-R153 PolarHBondContact O-N 3.13Å; P151-R153 VanDerWaalsContact O-N 3.07Å |
| 152 | R | 52.1 | Low | 52.5 | Low | 236 Ų | 236 | 143.8 Ų | 143.8 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 120.4 | 174.5 | -74.6 | -162.9 | 160.4 | -139.2 | -4.3 | 108.3 | R150 R154 | R150-R152 PolarHBondContact O-N 2.85Å; R150-R152 VanDerWaalsContact O-N 3.15Å; R152-R154 PolarHBondContact O-N 2.99Å |
| 153 | R | 51.4 | Low | 53.4 | Low | 244 Ų | 244 | 143.8 Ų | 143.8 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | -35.8 | 104.5 | 165.3 | -90.9 | -179 | 166.3 | -163.2 | -3.7 | 108.1 | P151 R155 | P151-R153 PolarHBondContact O-N 3.13Å; P151-R153 VanDerWaalsContact O-N 3.07Å; R153-R155 PolarHBondContact O-N 3.45Å | ||
| 154 | R | 54.6 | Low | 54.6 | Low | 237 Ų | 237 | 149.1 Ų | 149.1 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | trans | -56.9 | 111.4 | 161 | -84.9 | -172.3 | 176.3 | -153.9 | 0.7 | 104.4 | R152 V156 | R152-R154 PolarHBondContact O-N 2.99Å; R154-V156 VanDerWaalsContact C-N 3.28Å; R154-V156 PolarHBondContact O-N 3.37Å | ||
| 155 | R | 52.8 | Low | 56.7 | Low | 226 Ų | 226 | 157.2 Ų | 157.2 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -55.8 | 99.4 | 170.1 | -160.1 | -173 | -74 | -178.6 | -4.2 | 105 | R153 V157 | R153-R155 PolarHBondContact O-N 3.45Å; R155-V157 HydrophobicContact CG-CG1 4.35Å; R155-V157 PolarHBondContact O-N 3.14Å | ||
| 156 | V | 50.4 | Low | 58.5 | Low | 130 Ų | 130 | 155.9 Ų | 155.9 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | trans | -67.1 | 89 | 165.9 | 176.8 | 0 | 0 | 0 | 0 | 103.8 | R154 P158 | R154-V156 VanDerWaalsContact C-N 3.28Å; R154-V156 PolarHBondContact O-N 3.37Å; V156-P158 VanDerWaalsContact O-CD 3.3Å; V156-P158 WeakPolarHBondContact O-CD 3.23Å | ||
| 157 | V | 57.9 | Low | 60.2 | Low | 98 Ų | 98 | 161.4 Ų | 161.4 | 59% | 0.594 | 80% | 0.802 | S | S | * | * | trans | -63.1 | 119 | 163.4 | -70.7 | 0 | 0 | 0 | 0 | 105 | R155 N159 | R155-V157 HydrophobicContact CG-CG1 4.35Å; R155-V157 PolarHBondContact O-N 3.14Å; V157-N159 PolarHBondContact O-N 3.02Å | ||
| 158 | P | 52.8 | Low | 62.1 | Low | 120 Ų | 120 | 162.8 Ų | 162.8 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | -60 | 108.8 | 169.8 | 23.8 | -30 | 0 | 0 | 0 | 105.9 | V156 C160 | V156-P158 VanDerWaalsContact O-CD 3.3Å; V156-P158 WeakPolarHBondContact O-CD 3.23Å; P158-C160 VanDerWaalsContact C-N 3.26Å; P158-C160 PolarHBondContact O-N 3.22Å | ||
| 159 | N | 54.8 | Low | 64.4 | Low | 128 Ų | 128 | 161.9 Ų | 161.9 | 68% | 0.684 | 80% | 0.795 | S | S | * | * | trans | -67.6 | 82.7 | -172.2 | -174.7 | 53.3 | 0 | 0 | 0 | 109.4 | V157 A161 | V157-N159 PolarHBondContact O-N 3.02Å; N159-A161 PolarHBondContact O-N 3.2Å; N159-A161 WeakPolarHBondContact OD1-CB 3.44Å | ||
| 160 | C | 55.7 | Low | 66.8 | Low | 115 Ų | 115 | 158.6 Ų | 158.6 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | trans | -81.2 | 34.3 | 161.2 | -163 | 0 | 0 | 0 | 0 | 110.5 | P158 K162 | P158-C160 VanDerWaalsContact C-N 3.26Å; P158-C160 PolarHBondContact O-N 3.22Å; C160-K162 PolarHBondContact O-N 2.79Å | ||
| 161 | A | 62.6 | Low | 69 | Low | 58 Ų | 58 | 151.1 Ų | 151.1 | 48% | 0.479 | 75% | 0.748 | S | S | . | * | trans | -79.6 | 101.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | N159 P163 | N159-A161 PolarHBondContact O-N 3.2Å; N159-A161 WeakPolarHBondContact OD1-CB 3.44Å; A161-P163 VanDerWaalsContact O-N 3.16Å | ||
| 162 | K | 71.3 | Confident | 71.3 | Confident | 174 Ų | 174 | 154.1 Ų | 154.1 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | trans | -40.3 | 126.2 | 162.3 | -108.5 | 79.2 | 172.8 | -176.6 | 0 | 107.6 | C160 R164 | C160-K162 PolarHBondContact O-N 2.79Å; K162-R164 PolarHBondContact O-N 2.88Å | ||
| 163 | P | 73.4 | Confident | 73.5 | Confident | 126 Ų | 126 | 150.4 Ų | 150.4 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 118.5 | 178.6 | -26.8 | 33.6 | 0 | 0 | 0 | 109.4 | A161 R165 | A161-P163 VanDerWaalsContact O-N 3.16Å; P163-R165 PolarHBondContact O-N 3.19Å |
| 164 | R | 79.1 | Confident | 75.8 | Confident | 241 Ų | 241 | 139.9 Ų | 139.9 | 91% | 0.909 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 133.1 | 172 | -69.7 | -171.6 | -179.4 | -134.7 | 2 | 106.9 | K162 A166 | K162-R164 PolarHBondContact O-N 2.88Å; R164-A166 PolarHBondContact O-N 3.43Å; R164-A166 VanDerWaalsContact O-N 3.14Å |
| 165 | R | 80.2 | Confident | 77.9 | Confident | 243 Ų | 243 | 131.9 Ų | 131.9 | 92% | 0.917 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 125 | 175 | -89.8 | 174.5 | 177.4 | 157.4 | -1 | 109 | P163 R167 | P163-R165 PolarHBondContact O-N 3.19Å; R165-R167 PolarHBondContact O-N 3.37Å |
| 166 | A | 81.4 | Confident | 80 | Confident | 94 Ų | 94 | 124.4 Ų | 124.4 | 78% | 0.777 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 137.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | R164 T168 | R164-A166 PolarHBondContact O-N 3.43Å; R164-A166 VanDerWaalsContact O-N 3.14Å; A166-T168 PolarHBondContact O-N 2.68Å |
| 167 | R | 89.9 | Confident | 82.3 | Confident | 249 Ų | 249 | 119.7 Ų | 119.7 | 94% | 0.94 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 127.2 | 175.4 | -72.8 | 179.9 | 172.6 | 163.8 | -2.6 | 108.5 | R165 | R165-R167 PolarHBondContact O-N 3.37Š|
| 168 | T | 88.8 | Confident | 84.3 | Confident | 108 Ų | 108 | 115 Ų | 115 | 66% | 0.663 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 129.4 | 170.7 | 55.9 | 0 | 0 | 0 | 0 | 109.5 | A166 | A166-T168 PolarHBondContact O-N 2.68Š|
| 169 | A | 94.4 | Very high | 86.4 | Confident | 94 Ų | 94 | 111 Ų | 111 | 78% | 0.777 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 148.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 170 | F | 97.9 | Very high | 88.5 | Confident | 56 Ų | 56 | 109.9 Ų | 109.9 | 25% | 0.246 | 56% | 0.564 | C | S | . | * | P | Polyproline II helix | trans | -84 | 147.3 | 171.3 | -59.3 | -52.2 | 0 | 0 | 0 | 110.2 | Q174 L175 L202 Q206 W210 | F170-Q174 HydrophobicContact CB-CB 4.33Å; F170-L175 HydrophobicContact CB-CD2 3.98Å; F170-L175 HydrophobicContact CB-CG 4.1Å; F170-L175 HydrophobicContact CD2-CD2 4.21Å; F170-L202 HydrophobicContact CD1-CD1 3.9Å; F170-L202 HydrophobicContact CD1-CD2 3.7Å; F170-L202 HydrophobicContact CD1-CG 4.48Å; F170-L202 HydrophobicContact CE1-CD1 3.81Å; F170-L202 HydrophobicContact CE1-CD2 3.68Å; F170-L202 HydrophobicContact CE1-CG 4.37Å; F170-Q206 HydrophobicContact CE1-CB 4.04Å; F170-Q206 HydrophobicContact CE1-CG 4.21Å; F170-Q206 HydrophobicContact CZ-CB 3.92Å; F170-Q206 HydrophobicContact CZ-CG 4.23Å; F170-W210 AromaticContact CD2-CD1 3.68Å; F170-W210 HydrophobicContact CE2-CB 4.28Å; F170-W210 AromaticContact CE2-CD1 3.58Å; F170-W210 HydrophobicContact CE2-CG 4.3Å |
| 171 | T | 98.3 | Very high | 90.5 | Very high | 76 Ų | 76 | 109.7 Ų | 109.7 | 47% | 0.466 | 55% | 0.55 | S | S | . | * | P | Polyproline II helix | trans | -70.4 | 162.5 | 173.8 | 71.6 | 0 | 0 | 0 | 0 | 110.7 | E173 Q174 L175 | T171-E173 PolarHBondContact O-N 3.47Å; T171-Q174 PolarHBondContact O-N 3.07Å; T171-Q174 VanDerWaalsContact OG1-CG 3.23Å; T171-Q174 WeakPolarHBondContact OG1-CG 3.26Å; T171-Q174 PolarHBondContact OG1-N 2.8Å; T171-Q174 PolarHBondContact OG1-OE1 3.31Å; T171-L175 WeakPolarHBondContact O-CG 3.24Å; T171-L175 PolarHBondContact O-N 3.48Å; T171-L175 VanDerWaalsContact O-N 3.1Å |
| 172 | Y | 98 | Very high | 92.2 | Very high | 184 Ų | 184 | 107.2 Ų | 107.2 | 72% | 0.722 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.7 | -45.6 | 177.5 | 178.5 | -102.6 | 0 | 0 | 0 | 112 | Q174 L175 V176 | Y172-Q174 VanDerWaalsContact C-N 3.32Å; Y172-Q174 PolarHBondContact O-N 3.31Å; Y172-L175 WeakPolarHBondContact O-CB 3.15Å; Y172-L175 PolarHBondContact O-N 3.37Å; Y172-L175 VanDerWaalsContact O-N 3.08Å; Y172-V176 HydrophobicContact CD1-CG2 4.04Å; Y172-V176 HydrophobicContact CD2-CG2 4.45Å; Y172-V176 HydrophobicContact CE1-CG2 3.56Å; Y172-V176 HydrophobicContact CE2-CG2 4.03Å; Y172-V176 HydrophobicContact CG-CG2 4.46Å; Y172-V176 WeakPolarHBondContact O-CG2 3.3Å; Y172-V176 PolarHBondContact O-N 2.91Å |
| 173 | E | 98.3 | Very high | 93.5 | Very high | 157 Ų | 157 | 108.1 Ų | 108.1 | 73% | 0.734 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.5 | -42 | 178.8 | -62.5 | -172.7 | 169.7 | 0 | 0 | 112.3 | T171 L175 V176 A177 | T171-E173 PolarHBondContact O-N 3.47Å; E173-L175 VanDerWaalsContact C-N 3.34Å; E173-L175 PolarHBondContact O-N 3.49Å; E173-V176 PolarHBondContact O-N 3.47Å; E173-A177 PolarHBondContact O-N 2.88Å |
| 174 | Q | 98.5 | Very high | 94.6 | Very high | 24 Ų | 24 | 105.9 Ų | 105.9 | 11% | 0.112 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 174.5 | -72.7 | 171.3 | -20.5 | 0 | 0 | 111.3 | F170 T171 Y172 A177 L178 L200 | F170-Q174 HydrophobicContact CB-CB 4.33Å; T171-Q174 PolarHBondContact O-N 3.07Å; T171-Q174 VanDerWaalsContact OG1-CG 3.23Å; T171-Q174 WeakPolarHBondContact OG1-CG 3.26Å; T171-Q174 PolarHBondContact OG1-N 2.8Å; T171-Q174 PolarHBondContact OG1-OE1 3.31Å; Y172-Q174 VanDerWaalsContact C-N 3.32Å; Y172-Q174 PolarHBondContact O-N 3.31Å; Q174-A177 PolarHBondContact O-N 3.35Å; Q174-L178 WeakPolarHBondContact O-CB 3.4Å; Q174-L178 WeakPolarHBondContact O-CD1 3.41Å; Q174-L178 WeakPolarHBondContact O-CG 3.48Å; Q174-L178 PolarHBondContact O-N 3.46Å; Q174-L200 HydrophobicContact CG-CB 4.36Å; Q174-L200 PolarHBondContact NE2-O 2.93Å |
| 175 | L | 98.4 | Very high | 95.5 | Very high | 68 Ų | 68 | 96.7 Ų | 96.7 | 36% | 0.356 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 178.7 | -67.5 | 173 | 0 | 0 | 0 | 112.1 | F170 T171 Y172 E173 L178 E179 W210 | F170-L175 HydrophobicContact CB-CD2 3.98Å; F170-L175 HydrophobicContact CB-CG 4.1Å; F170-L175 HydrophobicContact CD2-CD2 4.21Å; T171-L175 WeakPolarHBondContact O-CG 3.24Å; T171-L175 PolarHBondContact O-N 3.48Å; T171-L175 VanDerWaalsContact O-N 3.1Å; Y172-L175 WeakPolarHBondContact O-CB 3.15Å; Y172-L175 PolarHBondContact O-N 3.37Å; Y172-L175 VanDerWaalsContact O-N 3.08Å; E173-L175 VanDerWaalsContact C-N 3.34Å; E173-L175 PolarHBondContact O-N 3.49Å; L175-L178 PolarHBondContact O-N 3.34Å; L175-E179 VanDerWaalsContact O-CB 3.29Å; L175-E179 WeakPolarHBondContact O-CB 3.49Å; L175-E179 PolarHBondContact O-N 2.83Å; L175-W210 VanDerWaalsContact CD2-NE1 3.34Å |
| 176 | V | 98.5 | Very high | 96.3 | Very high | 70 Ų | 70 | 90.7 Ų | 90.7 | 42% | 0.424 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 177.6 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | Y172 E173 E179 N180 | Y172-V176 HydrophobicContact CD1-CG2 4.04Å; Y172-V176 HydrophobicContact CD2-CG2 4.45Å; Y172-V176 HydrophobicContact CE1-CG2 3.56Å; Y172-V176 HydrophobicContact CE2-CG2 4.03Å; Y172-V176 HydrophobicContact CG-CG2 4.46Å; Y172-V176 WeakPolarHBondContact O-CG2 3.3Å; Y172-V176 PolarHBondContact O-N 2.91Å; E173-V176 PolarHBondContact O-N 3.47Å; V176-E179 PolarHBondContact O-N 3.29Å; V176-N180 WeakPolarHBondContact O-CB 3.23Å; V176-N180 PolarHBondContact O-N 3.18Å |
| 177 | A | 98.4 | Very high | 97.1 | Very high | 30 Ų | 30 | 93.1 Ų | 93.1 | 25% | 0.248 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E173 Q174 N180 K181 L200 | E173-A177 PolarHBondContact O-N 2.88Å; Q174-A177 PolarHBondContact O-N 3.35Å; A177-N180 PolarHBondContact O-N 2.88Å; A177-K181 PolarHBondContact O-N 3.45Å; A177-L200 HydrophobicContact CB-CD1 4.01Å; A177-L200 HydrophobicContact CB-CD2 3.58Å; A177-L200 HydrophobicContact CB-CG 4.41Å |
| 178 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 82.5 Ų | 82.5 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 175.1 | -73.6 | 165.5 | 0 | 0 | 0 | 111.6 | Q174 L175 K181 F182 L196 L200 L202 V207 W210 F211 | Q174-L178 WeakPolarHBondContact O-CB 3.4Å; Q174-L178 WeakPolarHBondContact O-CD1 3.41Å; Q174-L178 WeakPolarHBondContact O-CG 3.48Å; Q174-L178 PolarHBondContact O-N 3.46Å; L175-L178 PolarHBondContact O-N 3.34Å; L178-K181 PolarHBondContact O-N 2.97Å; L178-F182 WeakPolarHBondContact O-CB 3.39Å; L178-F182 PolarHBondContact O-N 2.96Å; L178-L196 HydrophobicContact CD2-CD2 3.89Å; L178-L196 HydrophobicContact CD2-CG 4.42Å; L178-L200 HydrophobicContact CD2-CD1 3.96Å; L178-L200 HydrophobicContact CG-CD1 3.77Å; L178-L202 HydrophobicContact CD1-CD1 4.23Å; L178-V207 HydrophobicContact CD2-CG1 4.21Å; L178-W210 HydrophobicContact CB-CD2 3.95Å; L178-W210 HydrophobicContact CB-CE3 3.89Å; L178-W210 HydrophobicContact CB-CH2 3.64Å; L178-W210 HydrophobicContact CB-CZ2 3.67Å; L178-W210 HydrophobicContact CB-CZ3 3.74Å; L178-W210 HydrophobicContact CD1-CD2 3.85Å; L178-W210 HydrophobicContact CD1-CE3 4.46Å; L178-W210 HydrophobicContact CD1-CG 3.85Å; L178-W210 HydrophobicContact CD2-CD2 4.37Å; L178-W210 HydrophobicContact CD2-CE3 4.22Å; L178-W210 HydrophobicContact CG-CD2 4.28Å; L178-W210 HydrophobicContact CG-CE3 4.42Å; L178-F211 HydrophobicContact CD2-CE2 4.02Å |
| 179 | E | 98.5 | Very high | 97.9 | Very high | 36 Ų | 36 | 80.1 Ų | 80.1 | 17% | 0.168 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -66.6 | -41 | 177.4 | -168.9 | 65.3 | -135 | 0 | 0 | 111.8 | L175 V176 F182 R183 W210 R214 | L175-E179 VanDerWaalsContact O-CB 3.29Å; L175-E179 WeakPolarHBondContact O-CB 3.49Å; L175-E179 PolarHBondContact O-N 2.83Å; V176-E179 PolarHBondContact O-N 3.29Å; E179-F182 WeakPolarHBondContact O-CB 3.4Å; E179-F182 PolarHBondContact O-N 3.47Å; E179-R183 WeakPolarHBondContact O-CG 3.43Å; E179-R183 PolarHBondContact O-N 3.02Å; E179-W210 HydrophobicContact CB-CH2 4.39Å; E179-R214 VanDerWaalsContact CD-NH2 3.29Å; E179-R214 IonicContact OE1-CZ 3.01Å; E179-R214 IonicContact OE1-NE 3.13Å; E179-R214 PolarHBondContact OE1-NE 2.83Å; E179-R214 VanDerWaalsContact OE1-NE 3.13Å; E179-R214 IonicContact OE1-NH1 3.88Å; E179-R214 IonicContact OE1-NH2 3.74Å; E179-R214 PolarHBondContact OE1-NH2 3.11Å; E179-R214 IonicContact OE2-CZ 3.06Å; E179-R214 IonicContact OE2-NE 2.64Å; E179-R214 PolarHBondContact OE2-NE 3.2Å; E179-R214 IonicContact OE2-NH1 3.02Å; E179-R214 PolarHBondContact OE2-NH1 3.21Å; E179-R214 IonicContact OE2-NH2 2.87Å; E179-R214 PolarHBondContact OE2-NH2 2.89Å |
| 180 | N | 98.4 | Very high | 98.1 | Very high | 104 Ų | 104 | 79.9 Ų | 79.9 | 56% | 0.556 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61.1 | -46 | 176.2 | -168.9 | 32.8 | 0 | 0 | 0 | 111.3 | V176 A177 F182 R183 A184 | V176-N180 WeakPolarHBondContact O-CB 3.23Å; V176-N180 PolarHBondContact O-N 3.18Å; A177-N180 PolarHBondContact O-N 2.88Å; N180-F182 VanDerWaalsContact C-N 3.32Å; N180-F182 PolarHBondContact O-N 3.43Å; N180-R183 PolarHBondContact O-N 3.31Å; N180-A184 PolarHBondContact O-N 2.94Å |
| 181 | K | 98.2 | Very high | 98.1 | Very high | 111 Ų | 111 | 81 Ų | 81 | 48% | 0.483 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.2 | -38.3 | 173.7 | -79.8 | -65.5 | -171.3 | -177.8 | 0 | 112.6 | A177 L178 R183 A184 T185 L196 F211 | A177-K181 PolarHBondContact O-N 3.45Å; L178-K181 PolarHBondContact O-N 2.97Å; K181-R183 VanDerWaalsContact C-N 3.31Å; K181-R183 PolarHBondContact O-N 3.36Å; K181-A184 WeakPolarHBondContact O-CB 3.37Å; K181-A184 PolarHBondContact O-N 3.1Å; K181-A184 VanDerWaalsContact O-N 3.17Å; K181-T185 PolarHBondContact O-N 3.45Å; K181-L196 HydrophobicContact CB-CD2 4.08Å; K181-L196 HydrophobicContact CG-CD1 3.87Å; K181-L196 HydrophobicContact CG-CD2 4.02Å; K181-F211 HydrophobicContact CB-CZ 4.26Å |
| 182 | F | 98.4 | Very high | 98.1 | Very high | 7 Ų | 7 | 81.3 Ų | 81.3 | 3% | 0.031 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64 | -34.5 | 178.2 | -174.1 | -97.9 | 0 | 0 | 0 | 113.5 | L178 E179 N180 A184 T185 R186 W210 F211 R214 R215 W218 | L178-F182 WeakPolarHBondContact O-CB 3.39Å; L178-F182 PolarHBondContact O-N 2.96Å; E179-F182 WeakPolarHBondContact O-CB 3.4Å; E179-F182 PolarHBondContact O-N 3.47Å; N180-F182 VanDerWaalsContact C-N 3.32Å; N180-F182 PolarHBondContact O-N 3.43Å; F182-A184 VanDerWaalsContact C-N 3.29Å; F182-T185 WeakPolarHBondContact CA-O 3.26Å; F182-T185 CarbonylContact O-C 3.36Å; F182-R186 HydrophobicContact CE1-CG 4.34Å; F182-R186 HydrophobicContact CE2-CB 4.02Å; F182-R186 HydrophobicContact CE2-CG 4.28Å; F182-R186 HydrophobicContact CZ-CB 4.14Å; F182-R186 HydrophobicContact CZ-CG 3.97Å; F182-W210 HydrophobicContact CB-CH2 4.45Å; F182-W210 HydrophobicContact CB-CZ3 4.18Å; F182-F211 HydrophobicContact CB-CE1 4.24Å; F182-F211 HydrophobicContact CB-CZ 4.32Å; F182-F211 AromaticContact CD2-CD1 3.85Å; F182-F211 HydrophobicContact CD2-CD1 3.85Å; F182-F211 AromaticContact CD2-CE1 3.76Å; F182-F211 HydrophobicContact CD2-CE1 3.76Å; F182-F211 HydrophobicContact CE2-CD1 4.47Å; F182-R214 HydrophobicContact CB-CG 4.45Å; F182-R214 HydrophobicContact CD1-CG 3.72Å; F182-R214 HydrophobicContact CD2-CB 4.23Å; F182-R214 HydrophobicContact CD2-CG 3.58Å; F182-R214 HydrophobicContact CE1-CG 3.77Å; F182-R214 HydrophobicContact CE2-CB 4.16Å; F182-R214 HydrophobicContact CE2-CG 3.64Å; F182-R214 HydrophobicContact CG-CG 3.62Å; F182-R214 HydrophobicContact CZ-CG 3.74Å; F182-R215 HydrophobicContact CE2-CG 3.76Å; F182-R215 HydrophobicContact CZ-CG 4.16Å; F182-W218 HydrophobicContact CE1-CB 4.25Å; F182-W218 HydrophobicContact CE1-CG 4.17Å; F182-W218 HydrophobicContact CZ-CB 4.15Å; F182-W218 HydrophobicContact CZ-CG 4.29Å |
| 183 | R | 97.4 | Very high | 98.2 | Very high | 192 Ų | 192 | 74.8 Ų | 74.8 | 73% | 0.725 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.3 | -36.6 | 174.4 | -68.5 | 172.3 | -170.8 | 174.8 | 0.7 | 111.8 | E179 N180 K181 | E179-R183 WeakPolarHBondContact O-CG 3.43Å; E179-R183 PolarHBondContact O-N 3.02Å; N180-R183 PolarHBondContact O-N 3.31Å; K181-R183 VanDerWaalsContact C-N 3.31Å; K181-R183 PolarHBondContact O-N 3.36Å |
| 184 | A | 97.4 | Very high | 98.2 | Very high | 79 Ų | 79 | 71 Ų | 71 | 65% | 0.653 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -72.6 | -49.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | N180 K181 F182 | N180-A184 PolarHBondContact O-N 2.94Å; K181-A184 WeakPolarHBondContact O-CB 3.37Å; K181-A184 PolarHBondContact O-N 3.1Å; K181-A184 VanDerWaalsContact O-N 3.17Å; F182-A184 VanDerWaalsContact C-N 3.29Å |
| 185 | T | 97.1 | Very high | 98.2 | Very high | 49 Ų | 49 | 74.1 Ų | 74.1 | 30% | 0.301 | 38% | 0.382 | S | S | . | . | trans | -140 | 127.4 | 178.8 | 81.9 | 0 | 0 | 0 | 0 | 110.8 | K181 F182 Y187 L188 | K181-T185 PolarHBondContact O-N 3.45Å; F182-T185 WeakPolarHBondContact CA-O 3.26Å; F182-T185 CarbonylContact O-C 3.36Å; T185-Y187 PolarHBondContact O-N 3.08Å; T185-Y187 PolarHBondContact OG1-O 3.37Å; T185-L188 WeakPolarHBondContact OG1-CD2 3.46Å | ||
| 186 | R | 97.3 | Very high | 98.2 | Very high | 116 Ų | 116 | 71.5 Ų | 71.5 | 44% | 0.438 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -75.1 | -17.3 | 179.1 | -62.4 | -175.6 | -172.4 | 107.9 | 7 | 112.8 | F182 R215 | F182-R186 HydrophobicContact CE1-CG 4.34Å; F182-R186 HydrophobicContact CE2-CB 4.02Å; F182-R186 HydrophobicContact CE2-CG 4.28Å; F182-R186 HydrophobicContact CZ-CB 4.14Å; F182-R186 HydrophobicContact CZ-CG 3.97Å; R186-R215 VanDerWaalsContact O-CD 3.31Å; R186-R215 WeakPolarHBondContact O-CD 3.46Å |
| 187 | Y | 98.1 | Very high | 98.2 | Very high | 146 Ų | 146 | 68.4 Ų | 68.4 | 57% | 0.573 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -134 | 132 | -177.7 | -63 | -105 | 0 | 0 | 0 | 108.6 | T185 R215 | T185-Y187 PolarHBondContact O-N 3.08Å; T185-Y187 PolarHBondContact OG1-O 3.37Å; Y187-R215 VanDerWaalsContact CD1-NH1 3.28Å |
| 188 | L | 98.1 | Very high | 98.2 | Very high | 25 Ų | 25 | 73.6 Ų | 73.6 | 13% | 0.131 | 37% | 0.373 | C | S | . | . | trans | -104.3 | 137.4 | 177.9 | -62.1 | 177 | 0 | 0 | 0 | 110.9 | T185 E192 R193 L196 V207 F211 | T185-L188 WeakPolarHBondContact OG1-CD2 3.46Å; L188-E192 HydrophobicContact CB-CB 4.31Å; L188-E192 HydrophobicContact CD2-CB 4.1Å; L188-R193 HydrophobicContact CB-CB 4.38Å; L188-R193 HydrophobicContact CD1-CB 4.49Å; L188-L196 HydrophobicContact CD1-CD2 3.96Å; L188-V207 HydrophobicContact CD1-CG1 4.08Å; L188-F211 HydrophobicContact CD1-CD1 4.15Å; L188-F211 HydrophobicContact CD1-CD2 3.85Å; L188-F211 HydrophobicContact CD1-CE1 3.76Å; L188-F211 HydrophobicContact CD1-CE2 3.45Å; L188-F211 VanDerWaalsContact CD1-CE2 3.45Å; L188-F211 HydrophobicContact CD1-CG 4.2Å; L188-F211 HydrophobicContact CD1-CZ 3.41Å; L188-F211 VanDerWaalsContact CD1-CZ 3.41Å; L188-F211 HydrophobicContact CD2-CE1 4.1Å; L188-F211 HydrophobicContact CD2-CZ 4.13Å; L188-F211 HydrophobicContact CG-CD1 3.99Å; L188-F211 HydrophobicContact CG-CE1 3.58Å; L188-F211 HydrophobicContact CG-CE2 4.24Å; L188-F211 HydrophobicContact CG-CG 4.48Å; L188-F211 HydrophobicContact CG-CZ 3.74Å | ||
| 189 | S | 98.3 | Very high | 98.1 | Very high | 58 Ų | 58 | 78.4 Ų | 78.4 | 41% | 0.406 | 41% | 0.407 | S | S | . | . | trans | -64.2 | 166.3 | 162.9 | 69.3 | 0 | 0 | 0 | 0 | 111.2 | C191 E192 R193 | S189-C191 VanDerWaalsContact C-N 3.32Å; S189-C191 PolarHBondContact O-N 3.28Å; S189-E192 VanDerWaalsContact CB-OE2 3.26Å; S189-E192 WeakPolarHBondContact CB-OE2 3.16Å; S189-E192 PolarHBondContact N-OE2 3.22Å; S189-E192 PolarHBondContact O-N 2.81Å; S189-E192 VanDerWaalsContact OG-CD 3.3Å; S189-E192 VanDerWaalsContact OG-CG 3.24Å; S189-E192 WeakPolarHBondContact OG-CG 3.45Å; S189-E192 PolarHBondContact OG-N 3.47Å; S189-E192 PolarHBondContact OG-OE2 2.92Å; S189-R193 WeakPolarHBondContact O-CB 3.33Å; S189-R193 PolarHBondContact O-N 3.35Å; S189-R193 VanDerWaalsContact O-N 3.07Å | ||
| 190 | V | 98.1 | Very high | 98.1 | Very high | 89 Ų | 89 | 77.9 Ų | 77.9 | 54% | 0.539 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.6 | -45.3 | 178.4 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | R193 L194 | V190-R193 PolarHBondContact O-N 2.97Å; V190-L194 HydrophobicContact CG1-CD1 4.21Å; V190-L194 WeakPolarHBondContact O-CG 3.44Å; V190-L194 PolarHBondContact O-N 3.39Å |
| 191 | C | 98.2 | Very high | 98.1 | Very high | 80 Ų | 80 | 78 Ų | 78 | 54% | 0.541 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.5 | -47.8 | -179.9 | -172.2 | 0 | 0 | 0 | 0 | 112.1 | S189 R193 L194 N195 | S189-C191 VanDerWaalsContact C-N 3.32Å; S189-C191 PolarHBondContact O-N 3.28Å; C191-R193 VanDerWaalsContact C-N 3.28Å; C191-R193 PolarHBondContact O-N 3.37Å; C191-L194 PolarHBondContact O-N 3.46Å; C191-N195 PolarHBondContact O-N 3.43Å; C191-N195 PolarHBondContact O-ND2 2.96Å |
| 192 | E | 98.4 | Very high | 98.1 | Very high | 82 Ų | 82 | 73.8 Ų | 73.8 | 38% | 0.383 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.2 | -37.9 | 179.2 | -68.7 | 166.5 | 123.1 | 0 | 0 | 112.3 | L188 S189 N195 L196 | L188-E192 HydrophobicContact CB-CB 4.31Å; L188-E192 HydrophobicContact CD2-CB 4.1Å; S189-E192 VanDerWaalsContact CB-OE2 3.26Å; S189-E192 WeakPolarHBondContact CB-OE2 3.16Å; S189-E192 PolarHBondContact N-OE2 3.22Å; S189-E192 PolarHBondContact O-N 2.81Å; S189-E192 VanDerWaalsContact OG-CD 3.3Å; S189-E192 VanDerWaalsContact OG-CG 3.24Å; S189-E192 WeakPolarHBondContact OG-CG 3.45Å; S189-E192 PolarHBondContact OG-N 3.47Å; S189-E192 PolarHBondContact OG-OE2 2.92Å; E192-N195 PolarHBondContact O-N 3.43Å; E192-L196 WeakPolarHBondContact O-CB 3.42Å; E192-L196 PolarHBondContact O-N 2.84Å |
| 193 | R | 98.6 | Very high | 98.1 | Very high | 48 Ų | 48 | 77.1 Ų | 77.1 | 18% | 0.181 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.3 | -42 | 177.3 | -167.9 | -168.2 | -59.7 | 138.9 | 9.5 | 111.7 | L188 S189 V190 C191 L196 A197 E204 V207 | L188-R193 HydrophobicContact CB-CB 4.38Å; L188-R193 HydrophobicContact CD1-CB 4.49Å; S189-R193 WeakPolarHBondContact O-CB 3.33Å; S189-R193 PolarHBondContact O-N 3.35Å; S189-R193 VanDerWaalsContact O-N 3.07Å; V190-R193 PolarHBondContact O-N 2.97Å; C191-R193 VanDerWaalsContact C-N 3.28Å; C191-R193 PolarHBondContact O-N 3.37Å; R193-L196 PolarHBondContact O-N 3.07Å; R193-A197 VanDerWaalsContact O-CB 3.25Å; R193-A197 WeakPolarHBondContact O-CB 3.35Å; R193-A197 PolarHBondContact O-N 3.4Å; R193-E204 HydrophobicContact CB-CG 4.46Å; R193-E204 WeakPolarHBondContact CD-O 3.38Å; R193-E204 WeakPolarHBondContact CD-OE1 3.42Å; R193-E204 HydrophobicContact CG-CG 3.78Å; R193-E204 IonicContact CZ-OE1 2.74Å; R193-E204 IonicContact NH1-OE1 3.29Å; R193-E204 PolarHBondContact NH1-OE1 2.89Å; R193-V207 HydrophobicContact CG-CB 3.97Å; R193-V207 HydrophobicContact CG-CG1 3.78Å |
| 194 | L | 98.6 | Very high | 98.1 | Very high | 76 Ų | 76 | 71.1 Ų | 71.1 | 40% | 0.398 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 175.9 | -70.7 | 171.1 | 0 | 0 | 0 | 111 | V190 C191 L196 A197 L198 E204 | V190-L194 HydrophobicContact CG1-CD1 4.21Å; V190-L194 WeakPolarHBondContact O-CG 3.44Å; V190-L194 PolarHBondContact O-N 3.39Å; C191-L194 PolarHBondContact O-N 3.46Å; L194-L196 PolarHBondContact O-N 2.96Å; L194-A197 WeakPolarHBondContact O-CB 3.35Å; L194-A197 PolarHBondContact O-N 3.17Å; L194-L198 WeakPolarHBondContact O-CG 3.18Å; L194-L198 PolarHBondContact O-N 3.42Å; L194-E204 HydrophobicContact CD2-CB 4.22Å; L194-E204 HydrophobicContact CD2-CG 4.11Å |
| 195 | N | 98.4 | Very high | 98.1 | Very high | 90 Ų | 90 | 71.4 Ų | 71.4 | 48% | 0.481 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 178.3 | -68.2 | -19.3 | 0 | 0 | 0 | 111.7 | C191 E192 A197 L198 S199 | C191-N195 PolarHBondContact O-N 3.43Å; C191-N195 PolarHBondContact O-ND2 2.96Å; E192-N195 PolarHBondContact O-N 3.43Å; N195-A197 VanDerWaalsContact C-N 3.34Å; N195-A197 PolarHBondContact O-N 3.35Å; N195-L198 PolarHBondContact O-N 3.26Å; N195-S199 PolarHBondContact O-N 3.16Å; N195-S199 PolarHBondContact O-OG 3.24Å; N195-S199 VanDerWaalsContact O-OG 3.12Å |
| 196 | L | 98.4 | Very high | 98.2 | Very high | 13 Ų | 13 | 71.5 Ų | 71.5 | 7% | 0.068 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.7 | -36.9 | 179.4 | -169.5 | 58.8 | 0 | 0 | 0 | 112.5 | L178 K181 L188 E192 R193 L194 S199 L200 V207 F211 | L178-L196 HydrophobicContact CD2-CD2 3.89Å; L178-L196 HydrophobicContact CD2-CG 4.42Å; K181-L196 HydrophobicContact CB-CD2 4.08Å; K181-L196 HydrophobicContact CG-CD1 3.87Å; K181-L196 HydrophobicContact CG-CD2 4.02Å; L188-L196 HydrophobicContact CD1-CD2 3.96Å; E192-L196 WeakPolarHBondContact O-CB 3.42Å; E192-L196 PolarHBondContact O-N 2.84Å; R193-L196 PolarHBondContact O-N 3.07Å; L194-L196 PolarHBondContact O-N 2.96Å; L196-S199 PolarHBondContact O-N 3.04Å; L196-L200 HydrophobicContact CD1-CD1 3.76Å; L196-L200 HydrophobicContact CD1-CG 4.11Å; L196-L200 HydrophobicContact CG-CD1 3.98Å; L196-L200 WeakPolarHBondContact O-CB 3.43Å; L196-L200 WeakPolarHBondContact O-CG 3.31Å; L196-L200 PolarHBondContact O-N 3.42Å; L196-L200 VanDerWaalsContact O-N 3.13Å; L196-V207 HydrophobicContact CD2-CG1 4.05Å; L196-F211 HydrophobicContact CD2-CE2 3.99Å; L196-F211 HydrophobicContact CD2-CZ 4.4Å |
| 197 | A | 98.4 | Very high | 98.2 | Very high | 6 Ų | 6 | 66 Ų | 66 | 5% | 0.05 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | R193 L194 N195 L200 S201 L202 V207 | R193-A197 VanDerWaalsContact O-CB 3.25Å; R193-A197 WeakPolarHBondContact O-CB 3.35Å; R193-A197 PolarHBondContact O-N 3.4Å; L194-A197 WeakPolarHBondContact O-CB 3.35Å; L194-A197 PolarHBondContact O-N 3.17Å; N195-A197 VanDerWaalsContact C-N 3.34Å; N195-A197 PolarHBondContact O-N 3.35Å; A197-L200 PolarHBondContact O-N 3.19Å; A197-S201 PolarHBondContact O-N 2.87Å; A197-S201 VanDerWaalsContact O-N 3.12Å; A197-L202 CarbonylContact C-O 3.43Å; A197-L202 WeakPolarHBondContact CB-O 3.48Å; A197-L202 PolarHBondContact O-N 3.33Å; A197-L202 VanDerWaalsContact O-O 3.09Å; A197-V207 HydrophobicContact CB-CG2 3.97Å |
| 198 | L | 98.4 | Very high | 98.2 | Very high | 139 Ų | 139 | 64.7 Ų | 64.7 | 73% | 0.728 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -62.1 | -48.2 | 176.5 | -67.9 | 173.1 | 0 | 0 | 0 | 112 | L194 N195 L200 S201 | L194-L198 WeakPolarHBondContact O-CG 3.18Å; L194-L198 PolarHBondContact O-N 3.42Å; N195-L198 PolarHBondContact O-N 3.26Å; L198-L200 VanDerWaalsContact C-N 3.26Å; L198-L200 PolarHBondContact O-N 3.42Å; L198-S201 PolarHBondContact O-N 3.31Å |
| 199 | S | 98.2 | Very high | 98.2 | Very high | 101 Ų | 101 | 67.8 Ų | 67.8 | 71% | 0.706 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -63.2 | -30.2 | -178.7 | -58.7 | 0 | 0 | 0 | 0 | 113.7 | N195 L196 | N195-S199 PolarHBondContact O-N 3.16Å; N195-S199 PolarHBondContact O-OG 3.24Å; N195-S199 VanDerWaalsContact O-OG 3.12Å; L196-S199 PolarHBondContact O-N 3.04Å |
| 200 | L | 97.9 | Very high | 98.3 | Very high | 24 Ų | 24 | 66.4 Ų | 66.4 | 13% | 0.126 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 6.5 | -176.4 | -60.9 | -177.3 | 0 | 0 | 0 | 113.9 | Q174 A177 L178 L196 A197 L198 L202 | Q174-L200 HydrophobicContact CG-CB 4.36Å; Q174-L200 PolarHBondContact NE2-O 2.93Å; A177-L200 HydrophobicContact CB-CD1 4.01Å; A177-L200 HydrophobicContact CB-CD2 3.58Å; A177-L200 HydrophobicContact CB-CG 4.41Å; L178-L200 HydrophobicContact CD2-CD1 3.96Å; L178-L200 HydrophobicContact CG-CD1 3.77Å; L196-L200 HydrophobicContact CD1-CD1 3.76Å; L196-L200 HydrophobicContact CD1-CG 4.11Å; L196-L200 HydrophobicContact CG-CD1 3.98Å; L196-L200 WeakPolarHBondContact O-CB 3.43Å; L196-L200 WeakPolarHBondContact O-CG 3.31Å; L196-L200 PolarHBondContact O-N 3.42Å; L196-L200 VanDerWaalsContact O-N 3.13Å; A197-L200 PolarHBondContact O-N 3.19Å; L198-L200 VanDerWaalsContact C-N 3.26Å; L198-L200 PolarHBondContact O-N 3.42Å; L200-L202 HydrophobicContact CB-CD1 4.25Å; L200-L202 HydrophobicContact CB-CG 4.12Å; L200-L202 PolarHBondContact O-N 3.41Å |
| 201 | S | 98.2 | Very high | 98.3 | Very high | 106 Ų | 106 | 62.6 Ų | 62.6 | 74% | 0.741 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 40.2 | -173.3 | 60.8 | 0 | 0 | 0 | 0 | 113.6 | A197 L198 | A197-S201 PolarHBondContact O-N 2.87Å; A197-S201 VanDerWaalsContact O-N 3.12Å; L198-S201 PolarHBondContact O-N 3.31Å |
| 202 | L | 97.7 | Very high | 98.3 | Very high | 23 Ų | 23 | 63 Ų | 63 | 12% | 0.12 | 34% | 0.337 | C | S | . | . | trans | -111.2 | 163.1 | 175.7 | -62.7 | -177.1 | 0 | 0 | 0 | 110.8 | F170 L178 A197 L200 Q206 V207 | F170-L202 HydrophobicContact CD1-CD1 3.9Å; F170-L202 HydrophobicContact CD1-CD2 3.7Å; F170-L202 HydrophobicContact CD1-CG 4.48Å; F170-L202 HydrophobicContact CE1-CD1 3.81Å; F170-L202 HydrophobicContact CE1-CD2 3.68Å; F170-L202 HydrophobicContact CE1-CG 4.37Å; L178-L202 HydrophobicContact CD1-CD1 4.23Å; A197-L202 CarbonylContact C-O 3.43Å; A197-L202 WeakPolarHBondContact CB-O 3.48Å; A197-L202 PolarHBondContact O-N 3.33Å; A197-L202 VanDerWaalsContact O-O 3.09Å; L200-L202 HydrophobicContact CB-CD1 4.25Å; L200-L202 HydrophobicContact CB-CG 4.12Å; L200-L202 PolarHBondContact O-N 3.41Å; L202-Q206 HydrophobicContact CB-CB 4.42Å; L202-V207 HydrophobicContact CB-CG2 4.17Å; L202-V207 HydrophobicContact CD1-CG2 4.44Å | ||
| 203 | T | 98.4 | Very high | 98.3 | Very high | 77 Ų | 77 | 64 Ų | 64 | 47% | 0.472 | 35% | 0.345 | S | S | . | . | trans | -81.7 | 151.8 | 169.4 | 61.6 | 0 | 0 | 0 | 0 | 111.2 | T205 Q206 V207 | T203-T205 PolarHBondContact O-N 3.26Å; T203-T205 VanDerWaalsContact O-N 3.17Å; T203-Q206 WeakPolarHBondContact O-CB 3.1Å; T203-Q206 PolarHBondContact O-N 3.29Å; T203-Q206 WeakPolarHBondContact OG1-CB 3.17Å; T203-Q206 VanDerWaalsContact OG1-CD 3.29Å; T203-Q206 VanDerWaalsContact OG1-CG 3.23Å; T203-Q206 WeakPolarHBondContact OG1-CG 3.49Å; T203-Q206 PolarHBondContact OG1-N 3.02Å; T203-Q206 PolarHBondContact OG1-OE1 2.91Å; T203-V207 PolarHBondContact O-N 3.06Å; T203-V207 VanDerWaalsContact O-N 3.13Å | ||
| 204 | E | 98.2 | Very high | 98.2 | Very high | 66 Ų | 66 | 64 Ų | 64 | 31% | 0.308 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -51 | -42.5 | 174.3 | -170.6 | -166.9 | 161.7 | 0 | 0 | 111.5 | R193 L194 Q206 V207 K208 | R193-E204 HydrophobicContact CB-CG 4.46Å; R193-E204 WeakPolarHBondContact CD-O 3.38Å; R193-E204 WeakPolarHBondContact CD-OE1 3.42Å; R193-E204 HydrophobicContact CG-CG 3.78Å; R193-E204 IonicContact CZ-OE1 2.74Å; R193-E204 IonicContact NH1-OE1 3.29Å; R193-E204 PolarHBondContact NH1-OE1 2.89Å; L194-E204 HydrophobicContact CD2-CB 4.22Å; L194-E204 HydrophobicContact CD2-CG 4.11Å; E204-Q206 PolarHBondContact O-N 3.26Å; E204-V207 PolarHBondContact O-N 3.05Å; E204-K208 WeakPolarHBondContact O-CB 3.43Å; E204-K208 PolarHBondContact O-N 3.45Å |
| 205 | T | 98.1 | Very high | 98.2 | Very high | 86 Ų | 86 | 63 Ų | 63 | 53% | 0.528 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 178.5 | -60.3 | 0 | 0 | 0 | 0 | 112.3 | T203 K208 I209 | T203-T205 PolarHBondContact O-N 3.26Å; T203-T205 VanDerWaalsContact O-N 3.17Å; T205-K208 PolarHBondContact O-N 3.05Å; T205-I209 HydrophobicContact CG2-CD1 3.79Å; T205-I209 HydrophobicContact CG2-CG1 4.37Å; T205-I209 WeakPolarHBondContact O-CB 3.47Å; T205-I209 VanDerWaalsContact O-CG1 3.26Å; T205-I209 WeakPolarHBondContact O-CG1 3.29Å; T205-I209 PolarHBondContact O-N 3Å |
| 206 | Q | 98 | Very high | 98.1 | Very high | 50 Ų | 50 | 62.6 Ų | 62.6 | 23% | 0.234 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 176.1 | -79.5 | 165.4 | -43.7 | 0 | 0 | 111.4 | F170 L202 T203 E204 K208 I209 W210 | F170-Q206 HydrophobicContact CE1-CB 4.04Å; F170-Q206 HydrophobicContact CE1-CG 4.21Å; F170-Q206 HydrophobicContact CZ-CB 3.92Å; F170-Q206 HydrophobicContact CZ-CG 4.23Å; L202-Q206 HydrophobicContact CB-CB 4.42Å; T203-Q206 WeakPolarHBondContact O-CB 3.1Å; T203-Q206 PolarHBondContact O-N 3.29Å; T203-Q206 WeakPolarHBondContact OG1-CB 3.17Å; T203-Q206 VanDerWaalsContact OG1-CD 3.29Å; T203-Q206 VanDerWaalsContact OG1-CG 3.23Å; T203-Q206 WeakPolarHBondContact OG1-CG 3.49Å; T203-Q206 PolarHBondContact OG1-N 3.02Å; T203-Q206 PolarHBondContact OG1-OE1 2.91Å; E204-Q206 PolarHBondContact O-N 3.26Å; Q206-K208 PolarHBondContact O-N 2.8Å; Q206-I209 PolarHBondContact O-N 3.46Å; Q206-W210 WeakPolarHBondContact O-CB 3.4Å; Q206-W210 PolarHBondContact O-N 3.45Å |
| 207 | V | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 175.6 | -179.4 | 0 | 0 | 0 | 0 | 110.6 | L178 L188 R193 L196 A197 L202 T203 E204 I209 W210 F211 | L178-V207 HydrophobicContact CD2-CG1 4.21Å; L188-V207 HydrophobicContact CD1-CG1 4.08Å; R193-V207 HydrophobicContact CG-CB 3.97Å; R193-V207 HydrophobicContact CG-CG1 3.78Å; L196-V207 HydrophobicContact CD2-CG1 4.05Å; A197-V207 HydrophobicContact CB-CG2 3.97Å; L202-V207 HydrophobicContact CB-CG2 4.17Å; L202-V207 HydrophobicContact CD1-CG2 4.44Å; T203-V207 PolarHBondContact O-N 3.06Å; T203-V207 VanDerWaalsContact O-N 3.13Å; E204-V207 PolarHBondContact O-N 3.05Å; V207-I209 PolarHBondContact O-N 3.1Å; V207-W210 PolarHBondContact O-N 3.36Å; V207-F211 HydrophobicContact CG1-CD2 3.91Å; V207-F211 HydrophobicContact CG1-CE2 4.1Å; V207-F211 WeakPolarHBondContact O-CD2 3.41Å; V207-F211 PolarHBondContact O-N 3.16Å |
| 208 | K | 98.3 | Very high | 97.9 | Very high | 120 Ų | 120 | 68.4 Ų | 68.4 | 52% | 0.522 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.5 | -49.1 | 175.6 | 173.8 | -179.9 | 163.2 | -178.1 | 0 | 112.1 | E204 T205 Q206 W210 F211 Q212 | E204-K208 WeakPolarHBondContact O-CB 3.43Å; E204-K208 PolarHBondContact O-N 3.45Å; T205-K208 PolarHBondContact O-N 3.05Å; Q206-K208 PolarHBondContact O-N 2.8Å; K208-W210 VanDerWaalsContact C-N 3.35Å; K208-F211 PolarHBondContact O-N 2.69Å; K208-Q212 WeakPolarHBondContact O-CB 3.31Å; K208-Q212 PolarHBondContact O-N 3.16Å |
| 209 | I | 98.2 | Very high | 97.7 | Very high | 89 Ų | 89 | 68.7 Ų | 68.7 | 46% | 0.456 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 179.4 | -69.8 | 168.2 | 0 | 0 | 0 | 110.2 | T205 Q206 V207 Q212 N213 | T205-I209 HydrophobicContact CG2-CD1 3.79Å; T205-I209 HydrophobicContact CG2-CG1 4.37Å; T205-I209 WeakPolarHBondContact O-CB 3.47Å; T205-I209 VanDerWaalsContact O-CG1 3.26Å; T205-I209 WeakPolarHBondContact O-CG1 3.29Å; T205-I209 PolarHBondContact O-N 3Å; Q206-I209 PolarHBondContact O-N 3.46Å; V207-I209 PolarHBondContact O-N 3.1Å; I209-Q212 PolarHBondContact O-N 3.33Å; I209-N213 WeakPolarHBondContact O-CB 3.4Å; I209-N213 VanDerWaalsContact O-CG 3.25Å; I209-N213 PolarHBondContact O-N 2.93Å; I209-N213 PolarHBondContact O-ND2 2.94Å |
| 210 | W | 98.3 | Very high | 97.5 | Very high | 29 Ų | 29 | 72.6 Ų | 72.6 | 11% | 0.11 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.8 | -48.7 | 177.9 | -169.8 | 98.9 | 0 | 0 | 0 | 111.5 | F170 L175 L178 E179 F182 Q206 V207 K208 Q212 N213 R214 | F170-W210 AromaticContact CD2-CD1 3.68Å; F170-W210 HydrophobicContact CE2-CB 4.28Å; F170-W210 AromaticContact CE2-CD1 3.58Å; F170-W210 HydrophobicContact CE2-CG 4.3Å; L175-W210 VanDerWaalsContact CD2-NE1 3.34Å; L178-W210 HydrophobicContact CB-CD2 3.95Å; L178-W210 HydrophobicContact CB-CE3 3.89Å; L178-W210 HydrophobicContact CB-CH2 3.64Å; L178-W210 HydrophobicContact CB-CZ2 3.67Å; L178-W210 HydrophobicContact CB-CZ3 3.74Å; L178-W210 HydrophobicContact CD1-CD2 3.85Å; L178-W210 HydrophobicContact CD1-CE3 4.46Å; L178-W210 HydrophobicContact CD1-CG 3.85Å; L178-W210 HydrophobicContact CD2-CD2 4.37Å; L178-W210 HydrophobicContact CD2-CE3 4.22Å; L178-W210 HydrophobicContact CG-CD2 4.28Å; L178-W210 HydrophobicContact CG-CE3 4.42Å; E179-W210 HydrophobicContact CB-CH2 4.39Å; F182-W210 HydrophobicContact CB-CH2 4.45Å; F182-W210 HydrophobicContact CB-CZ3 4.18Å; Q206-W210 WeakPolarHBondContact O-CB 3.4Å; Q206-W210 PolarHBondContact O-N 3.45Å; V207-W210 PolarHBondContact O-N 3.36Å; K208-W210 VanDerWaalsContact C-N 3.35Å; W210-Q212 VanDerWaalsContact C-N 3.3Å; W210-Q212 PolarHBondContact O-N 3.36Å; W210-N213 PolarHBondContact O-N 2.75Å; W210-R214 HydrophobicContact CE3-CB 4.01Å; W210-R214 HydrophobicContact CE3-CG 4.49Å; W210-R214 HydrophobicContact CH2-CB 4.15Å; W210-R214 HydrophobicContact CH2-CG 3.82Å; W210-R214 HydrophobicContact CZ3-CB 3.76Å; W210-R214 HydrophobicContact CZ3-CG 3.75Å; W210-R214 VanDerWaalsContact O-CB 3.31Å; W210-R214 WeakPolarHBondContact O-CB 3.39Å; W210-R214 PolarHBondContact O-N 3.4Å |
| 211 | F | 98.6 | Very high | 97.2 | Very high | 9 Ų | 9 | 76.8 Ų | 76.8 | 4% | 0.039 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.8 | -33.6 | 177.2 | -93.4 | -103 | 0 | 0 | 0 | 112.8 | L178 K181 F182 L188 L196 V207 K208 R215 | L178-F211 HydrophobicContact CD2-CE2 4.02Å; K181-F211 HydrophobicContact CB-CZ 4.26Å; F182-F211 HydrophobicContact CB-CE1 4.24Å; F182-F211 HydrophobicContact CB-CZ 4.32Å; F182-F211 AromaticContact CD2-CD1 3.85Å; F182-F211 HydrophobicContact CD2-CD1 3.85Å; F182-F211 AromaticContact CD2-CE1 3.76Å; F182-F211 HydrophobicContact CD2-CE1 3.76Å; F182-F211 HydrophobicContact CE2-CD1 4.47Å; L188-F211 HydrophobicContact CD1-CD1 4.15Å; L188-F211 HydrophobicContact CD1-CD2 3.85Å; L188-F211 HydrophobicContact CD1-CE1 3.76Å; L188-F211 HydrophobicContact CD1-CE2 3.45Å; L188-F211 VanDerWaalsContact CD1-CE2 3.45Å; L188-F211 HydrophobicContact CD1-CG 4.2Å; L188-F211 HydrophobicContact CD1-CZ 3.41Å; L188-F211 VanDerWaalsContact CD1-CZ 3.41Å; L188-F211 HydrophobicContact CD2-CE1 4.1Å; L188-F211 HydrophobicContact CD2-CZ 4.13Å; L188-F211 HydrophobicContact CG-CD1 3.99Å; L188-F211 HydrophobicContact CG-CE1 3.58Å; L188-F211 HydrophobicContact CG-CE2 4.24Å; L188-F211 HydrophobicContact CG-CG 4.48Å; L188-F211 HydrophobicContact CG-CZ 3.74Å; L196-F211 HydrophobicContact CD2-CE2 3.99Å; L196-F211 HydrophobicContact CD2-CZ 4.4Å; V207-F211 HydrophobicContact CG1-CD2 3.91Å; V207-F211 HydrophobicContact CG1-CE2 4.1Å; V207-F211 WeakPolarHBondContact O-CD2 3.41Å; V207-F211 PolarHBondContact O-N 3.16Å; K208-F211 PolarHBondContact O-N 2.69Å; F211-R215 WeakPolarHBondContact O-CG 3.23Å; F211-R215 PolarHBondContact O-N 3.46Å; F211-R215 PolarHBondContact O-NE 3.38Å |
| 212 | Q | 98.5 | Very high | 96.7 | Very high | 90 Ų | 90 | 74.7 Ų | 74.7 | 42% | 0.421 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.6 | -47.9 | 173.5 | -173.8 | 59.2 | 64.7 | 0 | 0 | 111.4 | K208 I209 W210 R214 R215 T216 | K208-Q212 WeakPolarHBondContact O-CB 3.31Å; K208-Q212 PolarHBondContact O-N 3.16Å; I209-Q212 PolarHBondContact O-N 3.33Å; W210-Q212 VanDerWaalsContact C-N 3.3Å; W210-Q212 PolarHBondContact O-N 3.36Å; Q212-R214 VanDerWaalsContact C-N 3.3Å; Q212-R214 PolarHBondContact O-N 3.27Å; Q212-R215 PolarHBondContact O-N 3.43Å; Q212-T216 PolarHBondContact O-N 2.64Å; Q212-T216 VanDerWaalsContact O-N 3.16Å; Q212-T216 PolarHBondContact O-OG1 3.45Å; Q212-T216 VanDerWaalsContact O-OG1 3.1Å |
| 213 | N | 97.9 | Very high | 95.7 | Very high | 102 Ų | 102 | 79.1 Ų | 79.1 | 55% | 0.545 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63 | -40.1 | 177.3 | -69 | -19 | 0 | 0 | 0 | 111.4 | I209 W210 T216 K217 | I209-N213 WeakPolarHBondContact O-CB 3.4Å; I209-N213 VanDerWaalsContact O-CG 3.25Å; I209-N213 PolarHBondContact O-N 2.93Å; I209-N213 PolarHBondContact O-ND2 2.94Å; W210-N213 PolarHBondContact O-N 2.75Å; N213-T216 PolarHBondContact O-N 3.13Å; N213-K217 PolarHBondContact O-N 3.14Å |
| 214 | R | 98 | Very high | 94.6 | Very high | 47 Ų | 47 | 78.4 Ų | 78.4 | 18% | 0.177 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 179 | -173.6 | 66.9 | -163.5 | 169.8 | 4.2 | 111.9 | E179 F182 W210 Q212 T216 K217 W218 | E179-R214 VanDerWaalsContact CD-NH2 3.29Å; E179-R214 IonicContact OE1-CZ 3.01Å; E179-R214 IonicContact OE1-NE 3.13Å; E179-R214 PolarHBondContact OE1-NE 2.83Å; E179-R214 VanDerWaalsContact OE1-NE 3.13Å; E179-R214 IonicContact OE1-NH1 3.88Å; E179-R214 IonicContact OE1-NH2 3.74Å; E179-R214 PolarHBondContact OE1-NH2 3.11Å; E179-R214 IonicContact OE2-CZ 3.06Å; E179-R214 IonicContact OE2-NE 2.64Å; E179-R214 PolarHBondContact OE2-NE 3.2Å; E179-R214 IonicContact OE2-NH1 3.02Å; E179-R214 PolarHBondContact OE2-NH1 3.21Å; E179-R214 IonicContact OE2-NH2 2.87Å; E179-R214 PolarHBondContact OE2-NH2 2.89Å; F182-R214 HydrophobicContact CB-CG 4.45Å; F182-R214 HydrophobicContact CD1-CG 3.72Å; F182-R214 HydrophobicContact CD2-CB 4.23Å; F182-R214 HydrophobicContact CD2-CG 3.58Å; F182-R214 HydrophobicContact CE1-CG 3.77Å; F182-R214 HydrophobicContact CE2-CB 4.16Å; F182-R214 HydrophobicContact CE2-CG 3.64Å; F182-R214 HydrophobicContact CG-CG 3.62Å; F182-R214 HydrophobicContact CZ-CG 3.74Å; W210-R214 HydrophobicContact CE3-CB 4.01Å; W210-R214 HydrophobicContact CE3-CG 4.49Å; W210-R214 HydrophobicContact CH2-CB 4.15Å; W210-R214 HydrophobicContact CH2-CG 3.82Å; W210-R214 HydrophobicContact CZ3-CB 3.76Å; W210-R214 HydrophobicContact CZ3-CG 3.75Å; W210-R214 VanDerWaalsContact O-CB 3.31Å; W210-R214 WeakPolarHBondContact O-CB 3.39Å; W210-R214 PolarHBondContact O-N 3.4Å; Q212-R214 VanDerWaalsContact C-N 3.3Å; Q212-R214 PolarHBondContact O-N 3.27Å; R214-T216 PolarHBondContact O-N 3.27Å; R214-K217 PolarHBondContact O-N 2.95Å; R214-W218 WeakPolarHBondContact O-CB 3.28Å; R214-W218 PolarHBondContact O-N 2.9Å |
| 215 | R | 97.5 | Very high | 93.2 | Very high | 56 Ų | 56 | 78.2 Ų | 78.2 | 21% | 0.211 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.1 | -43 | 175.1 | -75.9 | -179.2 | -74.1 | 151.5 | 1.4 | 112.5 | F182 R186 Y187 F211 Q212 K217 W218 K219 | F182-R215 HydrophobicContact CE2-CG 3.76Å; F182-R215 HydrophobicContact CZ-CG 4.16Å; R186-R215 VanDerWaalsContact O-CD 3.31Å; R186-R215 WeakPolarHBondContact O-CD 3.46Å; Y187-R215 VanDerWaalsContact CD1-NH1 3.28Å; F211-R215 WeakPolarHBondContact O-CG 3.23Å; F211-R215 PolarHBondContact O-N 3.46Å; F211-R215 PolarHBondContact O-NE 3.38Å; Q212-R215 PolarHBondContact O-N 3.43Å; R215-K217 VanDerWaalsContact C-N 3.33Å; R215-K217 PolarHBondContact O-N 3.15Å; R215-W218 PolarHBondContact O-N 3.09Å; R215-K219 WeakPolarHBondContact O-CB 3.27Å; R215-K219 PolarHBondContact O-N 3.4Å |
| 216 | T | 97.1 | Very high | 91.5 | Very high | 81 Ų | 81 | 78.3 Ų | 78.3 | 50% | 0.497 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.2 | -44.9 | 176.6 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | Q212 N213 R214 K220 | Q212-T216 PolarHBondContact O-N 2.64Å; Q212-T216 VanDerWaalsContact O-N 3.16Å; Q212-T216 PolarHBondContact O-OG1 3.45Å; Q212-T216 VanDerWaalsContact O-OG1 3.1Å; N213-T216 PolarHBondContact O-N 3.13Å; R214-T216 PolarHBondContact O-N 3.27Å; T216-K220 PolarHBondContact O-N 2.92Å |
| 217 | K | 96.3 | Very high | 89.5 | Confident | 110 Ų | 110 | 78.6 Ų | 78.6 | 48% | 0.478 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.7 | -45.2 | 176.8 | -175.6 | 179.4 | 175.5 | -178.4 | 0 | 111.6 | N213 R214 R215 K219 K220 Q221 | N213-K217 PolarHBondContact O-N 3.14Å; R214-K217 PolarHBondContact O-N 2.95Å; R215-K217 VanDerWaalsContact C-N 3.33Å; R215-K217 PolarHBondContact O-N 3.15Å; K217-K219 VanDerWaalsContact C-N 3.34Å; K217-K219 PolarHBondContact O-N 3.29Å; K217-K220 PolarHBondContact O-N 3.29Å; K217-Q221 VanDerWaalsContact CE-NE2 3.29Å; K217-Q221 WeakPolarHBondContact O-CG 3.46Å; K217-Q221 PolarHBondContact O-N 3.43Å; K217-Q221 VanDerWaalsContact O-N 3.09Å |
| 218 | W | 95.2 | Very high | 87.2 | Confident | 32 Ų | 32 | 83.9 Ų | 83.9 | 12% | 0.121 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 180 | -177.1 | 88.9 | 0 | 0 | 0 | 111.8 | F182 R214 R215 K220 Q221 N222 A225 D226 | F182-W218 HydrophobicContact CE1-CB 4.25Å; F182-W218 HydrophobicContact CE1-CG 4.17Å; F182-W218 HydrophobicContact CZ-CB 4.15Å; F182-W218 HydrophobicContact CZ-CG 4.29Å; R214-W218 WeakPolarHBondContact O-CB 3.28Å; R214-W218 PolarHBondContact O-N 2.9Å; R215-W218 PolarHBondContact O-N 3.09Å; W218-K220 VanDerWaalsContact C-N 3.3Å; W218-K220 PolarHBondContact O-N 3.18Å; W218-Q221 PolarHBondContact O-N 3.27Å; W218-Q221 VanDerWaalsContact O-N 3.1Å; W218-N222 HydrophobicContact CH2-CB 4.33Å; W218-N222 HydrophobicContact CZ2-CB 4.23Å; W218-N222 PolarHBondContact NE1-ND2 3.28Å; W218-N222 PolarHBondContact O-N 2.95Å; W218-N222 PolarHBondContact O-ND2 2.96Å; W218-A225 HydrophobicContact CH2-CB 3.62Å; W218-A225 HydrophobicContact CZ2-CB 4.06Å; W218-A225 HydrophobicContact CZ3-CB 4.49Å; W218-D226 VanDerWaalsContact CH2-OD1 3.23Å; W218-D226 WeakPolarHBondContact CH2-OD1 3.47Å; W218-D226 HydrophobicContact CZ3-CB 4.42Å; W218-D226 WeakPolarHBondContact CZ3-OD1 3.44Å; W218-D226 WeakPolarHBondContact CZ3-OD2 3.36Å |
| 219 | K | 94.8 | Very high | 85 | Confident | 145 Ų | 145 | 82.3 Ų | 82.3 | 63% | 0.63 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.1 | -38.5 | 176.1 | -174.1 | 177.3 | 68.8 | 169.8 | 0 | 112.4 | R215 K217 Q221 N222 | R215-K219 WeakPolarHBondContact O-CB 3.27Å; R215-K219 PolarHBondContact O-N 3.4Å; K217-K219 VanDerWaalsContact C-N 3.34Å; K217-K219 PolarHBondContact O-N 3.29Å; K219-Q221 VanDerWaalsContact C-N 3.34Å; K219-N222 CarbonylContact O-C 3.59Å |
| 220 | K | 93.4 | Very high | 82.6 | Confident | 183 Ų | 183 | 87 Ų | 87 | 80% | 0.796 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.7 | -32.8 | 176.6 | -172.9 | 176.3 | 178.6 | -177.9 | 0 | 112.4 | T216 K217 W218 | T216-K220 PolarHBondContact O-N 2.92Å; K217-K220 PolarHBondContact O-N 3.29Å; W218-K220 VanDerWaalsContact C-N 3.3Å; W218-K220 PolarHBondContact O-N 3.18Å |
| 221 | Q | 91.5 | Very high | 80 | Confident | 111 Ų | 111 | 92.8 Ų | 92.8 | 52% | 0.519 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -82.2 | -22.9 | -179.7 | -69.8 | 179.3 | -25.4 | 0 | 0 | 113.3 | K217 W218 K219 P223 | K217-Q221 VanDerWaalsContact CE-NE2 3.29Å; K217-Q221 WeakPolarHBondContact O-CG 3.46Å; K217-Q221 PolarHBondContact O-N 3.43Å; K217-Q221 VanDerWaalsContact O-N 3.09Å; W218-Q221 PolarHBondContact O-N 3.27Å; W218-Q221 VanDerWaalsContact O-N 3.1Å; K219-Q221 VanDerWaalsContact C-N 3.34Å; Q221-P223 WeakPolarHBondContact O-CD 3.04Å |
| 222 | N | 88.2 | Confident | 77.4 | Confident | 62 Ų | 62 | 96 Ų | 96 | 33% | 0.332 | 57% | 0.567 | S | S | . | * | trans | -123.9 | 65 | -178.1 | -57.8 | -90.1 | 0 | 0 | 0 | 110.7 | W218 K219 G224 A225 | W218-N222 HydrophobicContact CH2-CB 4.33Å; W218-N222 HydrophobicContact CZ2-CB 4.23Å; W218-N222 PolarHBondContact NE1-ND2 3.28Å; W218-N222 PolarHBondContact O-N 2.95Å; W218-N222 PolarHBondContact O-ND2 2.96Å; K219-N222 CarbonylContact O-C 3.59Å; N222-G224 PolarHBondContact O-N 2.99Å; N222-A225 HydrophobicContact CB-CB 3.76Å; N222-A225 PolarHBondContact O-N 3.36Å | ||
| 223 | P | 77.8 | Confident | 74.5 | Confident | 116 Ų | 116 | 95.5 Ų | 95.5 | 75% | 0.753 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | 104 | 174.4 | 28 | -32.3 | 0 | 0 | 0 | 108.8 | Q221 | Q221-P223 WeakPolarHBondContact O-CD 3.04Š|
| 224 | G | 74.3 | Confident | 71.6 | Confident | 62 Ų | 62 | 94.5 Ų | 94.5 | 64% | 0.639 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 120.5 | -15.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | N222 D226 G227 | N222-G224 PolarHBondContact O-N 2.99Å; G224-D226 VanDerWaalsContact C-N 3.34Å; G224-D226 PolarHBondContact O-N 3.32Å; G224-G227 PolarHBondContact O-N 3.1Å |
| 225 | A | 68.5 | Low | 69.1 | Low | 63 Ų | 63 | 96.9 Ų | 96.9 | 52% | 0.521 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.8 | -25.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | W218 N222 | W218-A225 HydrophobicContact CH2-CB 3.62Å; W218-A225 HydrophobicContact CZ2-CB 4.06Å; W218-A225 HydrophobicContact CZ3-CB 4.49Å; N222-A225 HydrophobicContact CB-CB 3.76Å; N222-A225 PolarHBondContact O-N 3.36Å |
| 226 | D | 62.6 | Low | 66.6 | Low | 88 Ų | 88 | 100 Ų | 100 | 47% | 0.471 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.6 | 14.8 | 174.2 | -72.1 | -12.7 | 0 | 0 | 0 | 111.9 | W218 G224 | W218-D226 VanDerWaalsContact CH2-OD1 3.23Å; W218-D226 WeakPolarHBondContact CH2-OD1 3.47Å; W218-D226 HydrophobicContact CZ3-CB 4.42Å; W218-D226 WeakPolarHBondContact CZ3-OD1 3.44Å; W218-D226 WeakPolarHBondContact CZ3-OD2 3.36Å; G224-D226 VanDerWaalsContact C-N 3.34Å; G224-D226 PolarHBondContact O-N 3.32Å |
| 227 | G | 56 | Low | 64.1 | Low | 56 Ų | 56 | 105.1 Ų | 105.1 | 58% | 0.577 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | 27.5 | -161.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | G224 | G224-G227 PolarHBondContact O-N 3.1Š|
| 228 | A | 50.6 | Low | 61.8 | Low | 110 Ų | 110 | 106.3 Ų | 106.3 | 91% | 0.909 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -4.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 229 | A | 52.6 | Low | 59.1 | Low | 87 Ų | 87 | 108.4 Ų | 108.4 | 72% | 0.719 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -143.3 | 46 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 230 | Q | 46 | Very low | 56.5 | Low | 187 Ų | 187 | 106.6 Ų | 106.6 | 87% | 0.874 | 74% | 0.737 | S | S | * | * | trans | -153.1 | 104 | 148.6 | -87.5 | -141.9 | -47 | 0 | 0 | 110.3 | ||||
| 231 | V | 44.8 | Very low | 53.7 | Low | 151 Ų | 151 | 102.8 Ų | 102.8 | 92% | 0.915 | 74% | 0.74 | S | S | * | * | trans | -55.3 | 134 | 166.9 | 164.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 232 | G | 43.3 | Very low | 51 | Low | 78 Ų | 78 | 101.7 Ų | 101.7 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | 82.4 | 93.7 | 137 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 233 | G | 38.3 | Very low | 48.5 | Very low | 78 Ų | 78 | 102.7 Ų | 102.7 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -177.8 | 54.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112 | A235 | G233-A235 PolarHBondContact O-N 3.29Š| ||
| 234 | G | 37.9 | Very low | 46.5 | Very low | 81 Ų | 81 | 101.4 Ų | 101.4 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | -63.6 | 129.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 235 | A | 44.1 | Very low | 44.6 | Very low | 98 Ų | 98 | 102.5 Ų | 102.5 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | -137 | 101.4 | 157.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | G233 | G233-A235 PolarHBondContact O-N 3.29Š| ||
| 236 | P | 45.4 | Very low | 43.1 | Very low | 120 Ų | 120 | 103.7 Ų | 103.7 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | trans | -83.7 | 127.8 | 168.7 | 31.1 | -26.1 | 0 | 0 | 0 | 109.1 | ||||
| 237 | Q | 44.8 | Very low | 41.9 | Very low | 190 Ų | 190 | 103.2 Ų | 103.2 | 89% | 0.888 | 84% | 0.837 | S | S | * | * | trans | -67.2 | 134 | 155.4 | -80.4 | -178.6 | -2.7 | 0 | 0 | 108.2 | ||||
| 238 | P | 48.6 | Very low | 41.3 | Very low | 135 Ų | 135 | 106.9 Ų | 106.9 | 88% | 0.877 | 85% | 0.854 | S | S | * | * | trans | -88.6 | 114.7 | 169.9 | 32.1 | -25.9 | 0 | 0 | 0 | 109.7 | ||||
| 239 | G | 37.9 | Very low | 40.6 | Very low | 76 Ų | 76 | 105.5 Ų | 105.5 | 78% | 0.784 | 85% | 0.85 | S | S | * | * | trans | -115.2 | 132.3 | 154.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 240 | A | 39.2 | Very low | 39.8 | Very low | 106 Ų | 106 | 105.2 Ų | 105.2 | 88% | 0.876 | 86% | 0.856 | S | S | * | * | trans | -60.5 | 145.7 | -165.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 241 | A | 36.4 | Very low | 39.7 | Very low | 104 Ų | 104 | 101.9 Ų | 101.9 | 86% | 0.86 | 85% | 0.853 | S | S | * | * | 172.6 | 133.9 | 122.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 242 | G | 34.4 | Very low | 40.2 | Very low | 87 Ų | 87 | 100.6 Ų | 100.6 | 90% | 0.897 | 85% | 0.848 | S | S | * | * | trans | 81.8 | 128.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 243 | G | 35.4 | Very low | 40.2 | Very low | 83 Ų | 83 | 100.1 Ų | 100.1 | 86% | 0.856 | 84% | 0.843 | S | S | * | * | cis | 135.5 | 107.2 | 17 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 244 | G | 35.9 | Very low | 41.1 | Very low | 90 Ų | 90 | 102.4 Ų | 102.4 | 93% | 0.928 | 84% | 0.844 | S | S | * | * | trans | 89.5 | 136.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 245 | G | 34.1 | Very low | 41.7 | Very low | 84 Ų | 84 | 104.7 Ų | 104.7 | 87% | 0.866 | 84% | 0.844 | S | S | * | * | trans | 130.6 | 105.3 | 157 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 246 | G | 37.8 | Very low | 41.6 | Very low | 89 Ų | 89 | 103 Ų | 103 | 92% | 0.918 | 84% | 0.836 | S | S | * | * | trans | -72.9 | 173 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 247 | G | 36 | Very low | 41.5 | Very low | 78 Ų | 78 | 104.7 Ų | 104.7 | 80% | 0.804 | 84% | 0.844 | S | S | * | * | trans | 171.7 | 97.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 248 | S | 44 | Very low | 41.4 | Very low | 132 Ų | 132 | 99.2 Ų | 99.2 | 92% | 0.923 | 84% | 0.839 | S | S | * | * | trans | -49.8 | 141.6 | 170.2 | 39.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 249 | G | 36.7 | Very low | 41.5 | Very low | 81 Ų | 81 | 97.7 Ų | 97.7 | 84% | 0.835 | 84% | 0.837 | S | S | * | * | trans | 170.8 | 104.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 250 | G | 35 | Very low | 42.3 | Very low | 81 Ų | 81 | 101 Ų | 101 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | trans | 84.1 | 97.5 | 141.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 251 | S | 43.4 | Very low | 42.9 | Very low | 118 Ų | 118 | 101.6 Ų | 101.6 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | trans | -64.7 | 166.8 | 145.7 | -113.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 252 | P | 56 | Low | 43.2 | Very low | 124 Ų | 124 | 105.2 Ų | 105.2 | 81% | 0.805 | 83% | 0.828 | S | S | * | * | cis | -137.4 | 158.1 | 37 | 35.6 | -14.9 | 0 | 0 | 0 | 116.3 | ||||
| 253 | G | 43.1 | Very low | 43.8 | Very low | 68 Ų | 68 | 109.1 Ų | 109.1 | 70% | 0.701 | 82% | 0.823 | S | S | * | * | trans | -80.3 | 174.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 254 | P | 57.4 | Low | 44.1 | Very low | 126 Ų | 126 | 111.5 Ų | 111.5 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -108.7 | 160.3 | 161.4 | 35.3 | -27.5 | 0 | 0 | 0 | 113.4 | ||||
| 255 | P | 49.6 | Very low | 44.9 | Very low | 128 Ų | 128 | 116 Ų | 116 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | trans | -89.1 | 150.2 | -160.7 | 34.8 | -36.6 | 0 | 0 | 0 | 115.6 | ||||
| 256 | G | 41.6 | Very low | 45.7 | Very low | 63 Ų | 63 | 117.1 Ų | 117.1 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | 74.4 | 114.1 | 124.7 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 257 | T | 43.9 | Very low | 46.2 | Very low | 155 Ų | 155 | 118.3 Ų | 118.3 | 95% | 0.951 | 80% | 0.802 | S | S | * | * | trans | 74.1 | 113.6 | 137 | 50.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 258 | G | 42.1 | Very low | 46.6 | Very low | 75 Ų | 75 | 125.3 Ų | 125.3 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -179.1 | 80.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | L260 | G258-L260 PolarHBondContact O-N 2.87Š| ||
| 259 | A | 51.8 | Low | 46.7 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | -65.8 | 118.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 260 | L | 54.2 | Low | 47.1 | Very low | 145 Ų | 145 | 124.3 Ų | 124.3 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | -136.7 | 125.6 | 160.6 | -69.2 | 178.8 | 0 | 0 | 0 | 108.9 | G258 F262 | G258-L260 PolarHBondContact O-N 2.87Å; L260-F262 HydrophobicContact CB-CD2 4.4Å; L260-F262 PolarHBondContact O-N 3.22Å; L260-F262 VanDerWaalsContact O-N 3.14Å | ||
| 261 | P | 53.1 | Low | 47.4 | Very low | 120 Ų | 120 | 124.8 Ų | 124.8 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | -84.5 | 87.5 | 179.6 | 33.7 | -31.5 | 0 | 0 | 0 | 109.5 | ||||
| 262 | F | 41.1 | Very low | 47.6 | Very low | 179 Ų | 179 | 126.3 Ų | 126.3 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -126.3 | 96.6 | 164.4 | -73.9 | -76.3 | 0 | 0 | 0 | 110 | L260 T264 | L260-F262 HydrophobicContact CB-CD2 4.4Å; L260-F262 PolarHBondContact O-N 3.22Å; L260-F262 VanDerWaalsContact O-N 3.14Å; F262-T264 PolarHBondContact O-N 3.49Å | ||
| 263 | Q | 46.9 | Very low | 47.3 | Very low | 170 Ų | 170 | 127.2 Ų | 127.2 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | 23.8 | 91 | 149.7 | -59.8 | -70.7 | 27.6 | 0 | 0 | 116.4 | F265 | Q263-F265 PolarHBondContact O-N 3.36Š| ||
| 264 | T | 43 | Very low | 47.5 | Very low | 132 Ų | 132 | 131.5 Ų | 131.5 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | -62 | 113 | 157.4 | -76 | 0 | 0 | 0 | 0 | 108.6 | F262 | F262-T264 PolarHBondContact O-N 3.49Š| ||
| 265 | F | 51.8 | Low | 47 | Very low | 186 Ų | 186 | 134.4 Ų | 134.4 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | trans | -59.1 | 137.7 | 163.2 | -69.6 | -84.7 | 0 | 0 | 0 | 109.2 | Q263 S267 | Q263-F265 PolarHBondContact O-N 3.36Å; F265-S267 PolarHBondContact O-N 3.2Å | ||
| 266 | P | 52.1 | Low | 46.7 | Very low | 106 Ų | 106 | 134 Ų | 134 | 69% | 0.688 | 79% | 0.793 | S | S | * | * | trans | -58.2 | 129.7 | 174.1 | -21.1 | 31.2 | 0 | 0 | 0 | 110.6 | Y268 | P266-Y268 PolarHBondContact O-N 3.45Š| ||
| 267 | S | 48.2 | Very low | 46.9 | Very low | 114 Ų | 114 | 135 Ų | 135 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -58.4 | 110.3 | 161.6 | -176.6 | 0 | 0 | 0 | 0 | 107.6 | F265 S269 | F265-S267 PolarHBondContact O-N 3.2Å; S267-S269 PolarHBondContact O-N 3.37Å | ||
| 268 | Y | 43 | Very low | 47.5 | Very low | 225 Ų | 225 | 132.9 Ų | 132.9 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | -68.3 | 89.8 | 164.8 | -93.3 | -88.7 | 0 | 0 | 0 | 107.3 | P266 A270 | P266-Y268 PolarHBondContact O-N 3.45Å; Y268-A270 PolarHBondContact O-N 3.33Å | ||
| 269 | S | 46.1 | Very low | 48 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | trans | -57.8 | 125.6 | 158.3 | -171.4 | 0 | 0 | 0 | 0 | 107.5 | S267 A271 | S267-S269 PolarHBondContact O-N 3.37Å; S269-A271 PolarHBondContact O-N 3.3Å | ||
| 270 | A | 46.6 | Very low | 47.9 | Very low | 94 Ų | 94 | 134 Ų | 134 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | trans | -58.4 | 103.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y268 N272 | Y268-A270 PolarHBondContact O-N 3.33Å; A270-N272 PolarHBondContact O-N 3.07Å; A270-N272 VanDerWaalsContact O-N 3.08Å | ||
| 271 | A | 40.7 | Very low | 47.4 | Very low | 90 Ų | 90 | 136.8 Ų | 136.8 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | trans | -66.4 | 107.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | S269 V273 | S269-A271 PolarHBondContact O-N 3.3Å; A271-V273 PolarHBondContact O-N 3.34Å | ||
| 272 | N | 47.7 | Very low | 47.2 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | trans | 26.1 | 95.5 | 143.5 | -60.5 | -31.1 | 0 | 0 | 0 | 115.7 | A270 L274 | A270-N272 PolarHBondContact O-N 3.07Å; A270-N272 VanDerWaalsContact O-N 3.08Å; N272-L274 VanDerWaalsContact C-N 3.33Å; N272-L274 PolarHBondContact O-N 3.22Å | ||
| 273 | V | 48.8 | Very low | 47.6 | Very low | 142 Ų | 142 | 136 Ų | 136 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -70.2 | 97.7 | 156.4 | -158.3 | 0 | 0 | 0 | 0 | 106.2 | A271 F275 | A271-V273 PolarHBondContact O-N 3.34Å; V273-F275 PolarHBondContact O-N 3.41Å; V273-F275 VanDerWaalsContact O-N 3.09Å | ||
| 274 | L | 47.8 | Very low | 47.6 | Very low | 158 Ų | 158 | 134.2 Ų | 134.2 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | -65.8 | 108.1 | 169.6 | -148.7 | 78.6 | 0 | 0 | 0 | 106.9 | N272 P276 | N272-L274 VanDerWaalsContact C-N 3.33Å; N272-L274 PolarHBondContact O-N 3.22Å; L274-P276 VanDerWaalsContact O-CD 3.28Å; L274-P276 WeakPolarHBondContact O-CD 3.41Å | ||
| 275 | F | 46.5 | Very low | 47.5 | Very low | 188 Ų | 188 | 131.2 Ų | 131.2 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -70.7 | 117.8 | 170.7 | -144.9 | -89.4 | 0 | 0 | 0 | 107.5 | V273 A277 | V273-F275 PolarHBondContact O-N 3.41Å; V273-F275 VanDerWaalsContact O-N 3.09Å; F275-A277 PolarHBondContact O-N 3.14Å | ||
| 276 | P | 44.6 | Very low | 47.6 | Very low | 120 Ų | 120 | 127.4 Ų | 127.4 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | trans | -74.8 | 109.4 | 163.8 | -10.7 | 28.7 | 0 | 0 | 0 | 107.2 | L274 | L274-P276 VanDerWaalsContact O-CD 3.28Å; L274-P276 WeakPolarHBondContact O-CD 3.41Å | ||
| 277 | A | 46.1 | Very low | 47.3 | Very low | 83 Ų | 83 | 130.9 Ų | 130.9 | 69% | 0.686 | 79% | 0.793 | S | S | * | * | trans | -55.1 | 148.3 | 164 | 0 | 0 | 0 | 0 | 0 | 109.9 | F275 A279 | F275-A277 PolarHBondContact O-N 3.14Å; A277-A279 PolarHBondContact O-N 3.28Å | ||
| 278 | A | 54.9 | Low | 47.3 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | trans | -45.4 | 111.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 279 | A | 52.3 | Low | 48.1 | Very low | 81 Ų | 81 | 124.8 Ų | 124.8 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | trans | -107 | 116.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | A277 F281 | A277-A279 PolarHBondContact O-N 3.28Å; A279-F281 PolarHBondContact O-N 3.09Å | ||
| 280 | S | 51 | Low | 48.4 | Very low | 119 Ų | 119 | 124.3 Ų | 124.3 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 122.4 | 171.4 | -56.6 | 0 | 0 | 0 | 0 | 110.1 | P282 | S280-P282 VanDerWaalsContact O-CD 3.3Å; S280-P282 WeakPolarHBondContact O-CD 3.28Å |
| 281 | F | 42.9 | Very low | 49.1 | Very low | 204 Ų | 204 | 126 Ų | 126 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 121.1 | 173.3 | -75 | -83.1 | 0 | 0 | 0 | 109.7 | A279 | A279-F281 PolarHBondContact O-N 3.09Š|
| 282 | P | 49.8 | Very low | 49.9 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 134.8 | 166.9 | 29.7 | -31.4 | 0 | 0 | 0 | 110.2 | S280 | S280-P282 VanDerWaalsContact O-CD 3.3Å; S280-P282 WeakPolarHBondContact O-CD 3.28Å |
| 283 | L | 48.8 | Very low | 50.6 | Low | 164 Ų | 164 | 127.6 Ų | 127.6 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 152.7 | 161.2 | -99.3 | 131.1 | 0 | 0 | 0 | 111.1 | ||
| 284 | T | 46.1 | Very low | 51.2 | Low | 132 Ų | 132 | 126.3 Ų | 126.3 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | 80 | 110.1 | 159.9 | -66.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 285 | A | 42.7 | Very low | 51.8 | Low | 69 Ų | 69 | 128.5 Ų | 128.5 | 57% | 0.57 | 79% | 0.79 | S | S | * | * | 169.4 | 120.2 | 107.2 | 0 | 0 | 0 | 0 | 0 | 110 | F287 | A285-F287 HydrophobicContact CB-CD2 4.41Å; A285-F287 HydrophobicContact CB-CE2 4.13Å; A285-F287 PolarHBondContact O-N 3.08Å | |||
| 286 | A | 53.1 | Low | 52.5 | Low | 105 Ų | 105 | 127.2 Ų | 127.2 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | trans | -65.8 | 118.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 287 | F | 45.3 | Very low | 52.7 | Low | 179 Ų | 179 | 124.7 Ų | 124.7 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -110.8 | 134.5 | 164.1 | -81.7 | -81.7 | 0 | 0 | 0 | 109.5 | A285 G289 | A285-F287 HydrophobicContact CB-CD2 4.41Å; A285-F287 HydrophobicContact CB-CE2 4.13Å; A285-F287 PolarHBondContact O-N 3.08Å; F287-G289 PolarHBondContact O-N 3.47Å | ||
| 288 | P | 49 | Very low | 53.1 | Low | 133 Ų | 133 | 127 Ų | 127 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 120.4 | -177.8 | 32.3 | -30.2 | 0 | 0 | 0 | 109 | ||
| 289 | G | 58.9 | Low | 53.1 | Low | 78 Ų | 78 | 126 Ų | 126 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 144.2 | 2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | F287 | F287-G289 PolarHBondContact O-N 3.47Š|
| 290 | S | 52.7 | Low | 53.1 | Low | 90 Ų | 90 | 132.1 Ų | 132.1 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | trans | -80.7 | 129.4 | 174.4 | -175.1 | 0 | 0 | 0 | 0 | 111.4 | F292 | S290-F292 PolarHBondContact O-N 3.04Š| ||
| 291 | P | 60.8 | Low | 53 | Low | 128 Ų | 128 | 134.8 Ų | 134.8 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -77 | 6.5 | 179.7 | 31.5 | -35.2 | 0 | 0 | 0 | 114.2 | A293 | P291-A293 PolarHBondContact O-N 2.87Š|
| 292 | F | 59 | Low | 53.9 | Low | 188 Ų | 188 | 130.7 Ų | 130.7 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -91 | 85.2 | 170.6 | -96.1 | -90.6 | 0 | 0 | 0 | 110.1 | S290 P294 | S290-F292 PolarHBondContact O-N 3.04Å; F292-P294 WeakPolarHBondContact O-CD 3.3Å | ||
| 293 | A | 60.5 | Low | 54.4 | Low | 88 Ų | 88 | 130.5 Ų | 130.5 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -71.2 | 124.1 | 165 | 0 | 0 | 0 | 0 | 0 | 109.5 | P291 F295 | P291-A293 PolarHBondContact O-N 2.87Å; A293-F295 PolarHBondContact O-N 2.92Å | ||
| 294 | P | 63.3 | Low | 54.4 | Low | 114 Ų | 114 | 132 Ų | 132 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | trans | -72 | 114.8 | 164.9 | 28.2 | -30.4 | 0 | 0 | 0 | 108.9 | F292 L296 | F292-P294 WeakPolarHBondContact O-CD 3.3Å; P294-L296 PolarHBondContact O-N 3.06Å | ||
| 295 | F | 60.2 | Low | 54.9 | Low | 205 Ų | 205 | 137.3 Ų | 137.3 | 90% | 0.899 | 79% | 0.79 | S | S | * | * | trans | -72.9 | 60.3 | 172.1 | -174.6 | -99.5 | 0 | 0 | 0 | 110.9 | A293 | A293-F295 PolarHBondContact O-N 2.92Š| ||
| 296 | L | 61.4 | Low | 55.5 | Low | 160 Ų | 160 | 137.4 Ų | 137.4 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | -140.6 | 89 | 171.1 | -76.2 | 168 | 0 | 0 | 0 | 107.9 | P294 | P294-L296 PolarHBondContact O-N 3.06Š| ||
| 297 | G | 48.3 | Very low | 56 | Low | 68 Ų | 68 | 138.5 Ų | 138.5 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | -68.6 | 135 | 170 | 0 | 0 | 0 | 0 | 0 | 110.4 | S299 | G297-S299 PolarHBondContact O-N 3.2Š| ||
| 298 | P | 54.9 | Low | 56.4 | Low | 130 Ų | 130 | 138.2 Ų | 138.2 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | trans | -83.7 | 101.4 | 171.7 | 32.5 | -27.1 | 0 | 0 | 0 | 107.4 | ||||
| 299 | S | 53.9 | Low | 56.5 | Low | 91 Ų | 91 | 142.8 Ų | 142.8 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | trans | -141.5 | 123.9 | 169.5 | -58.4 | 0 | 0 | 0 | 0 | 108.8 | G297 | G297-S299 PolarHBondContact O-N 3.2Š| ||
| 300 | Y | 53.7 | Low | 56.4 | Low | 209 Ų | 209 | 146.1 Ų | 146.1 | 82% | 0.82 | 81% | 0.806 | S | S | * | * | trans | 87.2 | 62.6 | 170.5 | -50 | -76.3 | 0 | 0 | 0 | 117.1 | ||||
| 301 | L | 48.1 | Very low | 56.6 | Low | 176 Ų | 176 | 149 Ų | 149 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -104.5 | 96.1 | 142.8 | -134.1 | 86.4 | 0 | 0 | 0 | 107.7 | ||||
| 302 | T | 62.4 | Low | 56.4 | Low | 118 Ų | 118 | 150.2 Ų | 150.2 | 72% | 0.724 | 82% | 0.815 | S | S | * | * | trans | -114.7 | 116.4 | 168.1 | 50.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 303 | P | 59.2 | Low | 56.2 | Low | 116 Ų | 116 | 147.9 Ų | 147.9 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | trans | -99.9 | 103.2 | 161.2 | 32.6 | -21.4 | 0 | 0 | 0 | 108.1 | ||||
| 304 | F | 48.2 | Very low | 56 | Low | 195 Ų | 195 | 151.7 Ų | 151.7 | 86% | 0.855 | 82% | 0.819 | S | S | * | * | trans | -141.6 | 76.7 | 166.4 | -122.2 | -87.8 | 0 | 0 | 0 | 108.9 | ||||
| 305 | Y | 57.8 | Low | 55.5 | Low | 243 Ų | 243 | 154.2 Ų | 154.2 | 95% | 0.953 | 83% | 0.825 | S | S | * | * | trans | -92 | 106.9 | 154 | -102.2 | -88.3 | 0 | 0 | 0 | 106.8 | ||||
| 306 | A | 54.9 | Low | 55.1 | Low | 72 Ų | 72 | 150.6 Ų | 150.6 | 60% | 0.595 | 82% | 0.819 | S | S | * | * | trans | -106.3 | 140.1 | 156.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 307 | P | 64.5 | Low | 54.7 | Low | 127 Ų | 127 | 149.8 Ų | 149.8 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -82.4 | 144.9 | -174.4 | 33.8 | -32.4 | 0 | 0 | 0 | 110.8 | ||||
| 308 | H | 52.1 | Low | 55.2 | Low | 173 Ų | 173 | 156.7 Ų | 156.7 | 80% | 0.801 | 83% | 0.828 | S | S | * | * | trans | -126 | 118.2 | 164.7 | -152.7 | -84.4 | 0 | 0 | 0 | 108.7 | ||||
| 309 | L | 52.7 | Low | 55.2 | Low | 230 Ų | 230 | 159.1 Ų | 159.1 | 100% | 1.204 | 83% | 0.826 | S | S | * | * | trans | 68.4 | 0 | 169.9 | -67 | 160.3 | 0 | 0 | 0 | 118.1 |
Retrieved 309 of 309 residues in 49.8 ms
(Link to these results)